WorldWideScience

Sample records for long-range electron transfer

  1. Enzymatic cellulose oxidation is linked to lignin by long-range electron transfer

    DEFF Research Database (Denmark)

    Westereng, Bjorge; Cannella, David; Wittrup Agger, Jane

    2015-01-01

    in biological systems are only partly understood. We show here that insoluble high molecular weight lignin functions as a reservoir of electrons facilitating LPMO activity. The electrons are donated to the enzyme by long-range electron transfer involving soluble low molecular weight lignins present in plant...... cell walls. Electron transfer was confirmed by electron paramagnetic resonance spectroscopy showing that LPMO activity on cellulose changes the level of unpaired electrons in the lignin. The discovery of a long-range electron transfer mechanism links the biodegradation of cellulose and lignin and sheds...

  2. Enzymatic cellulose oxidation is linked to lignin by long-range electron transfer

    DEFF Research Database (Denmark)

    Westereng, Bjorge; Cannella, David; Wittrup Agger, Jane

    2015-01-01

    cell walls. Electron transfer was confirmed by electron paramagnetic resonance spectroscopy showing that LPMO activity on cellulose changes the level of unpaired electrons in the lignin. The discovery of a long-range electron transfer mechanism links the biodegradation of cellulose and lignin and sheds...

  3. Efficient Long - Range Electron Transfer Processes in Polyfluorene – Perylene Diimide Blends

    KAUST Repository

    Isakova, Anna

    2018-05-17

    In bulk heterojunction donor-acceptor (D-A) blends, high photovoltaic yields require charge carrier separation to outcompete geminate recombination. Recently, evidence for long-range electron transfer mechanisms has been presented, avoiding strongly-bound interfacial charge transfer (CT) states. However, due to the lack of specific optical probes at the D-A interface, a detailed quantification of the long-range processes has not been feasible, until now. Here, we present a transient absorption study of long-range processes in a unique phase consisting of perylene diimide (PDI) crystals intercalated with polyfluorene (PFO), as widely used non-fullerene electron acceptor and donor, respectively. The intercalated PDI:PFO phase possesses specific well-separated spectral features for the excited states at the D-A interface. By use of femtosecond spectroscopy we reveal the excitation dynamics in this blend. PDI excitons undergo a clear symmetry-breaking charge separation in the PDI bulk, which occurs within several hundred femtoseconds, thus outcompeting excimer formation, known to limit charge separation yields when PDI is used as an acceptor. In contrast, PFO excitons are dissociated with very high yields in a one-step long-range process, enabled by large delocalization of the PFO exciton wavefunction. Moreover, both scenarios circumvent the formation of strongly-bound interfacial CT states and enable a targeted interfacial design for bulk heterojunction blends with near unity charge separation yields.

  4. Efficient Long - Range Electron Transfer Processes in Polyfluorene – Perylene Diimide Blends

    KAUST Repository

    Isakova, Anna; Karuthedath, Safakath; Arnold, Thomas; Howse, Jonathan; Topham, Paul D.; Toolan, Daniel Thomas William; Laquai, Fré dé ric; Lü er, Larry

    2018-01-01

    In bulk heterojunction donor-acceptor (D-A) blends, high photovoltaic yields require charge carrier separation to outcompete geminate recombination. Recently, evidence for long-range electron transfer mechanisms has been presented, avoiding strongly-bound interfacial charge transfer (CT) states. However, due to the lack of specific optical probes at the D-A interface, a detailed quantification of the long-range processes has not been feasible, until now. Here, we present a transient absorption study of long-range processes in a unique phase consisting of perylene diimide (PDI) crystals intercalated with polyfluorene (PFO), as widely used non-fullerene electron acceptor and donor, respectively. The intercalated PDI:PFO phase possesses specific well-separated spectral features for the excited states at the D-A interface. By use of femtosecond spectroscopy we reveal the excitation dynamics in this blend. PDI excitons undergo a clear symmetry-breaking charge separation in the PDI bulk, which occurs within several hundred femtoseconds, thus outcompeting excimer formation, known to limit charge separation yields when PDI is used as an acceptor. In contrast, PFO excitons are dissociated with very high yields in a one-step long-range process, enabled by large delocalization of the PFO exciton wavefunction. Moreover, both scenarios circumvent the formation of strongly-bound interfacial CT states and enable a targeted interfacial design for bulk heterojunction blends with near unity charge separation yields.

  5. Rapid long range intramolecular electron transfer within a steroid molecule with two electron binding groups

    International Nuclear Information System (INIS)

    Huddleston, R.K.; Miller, J.R.

    1983-01-01

    Intramolecular electron transfer has been observed to have occurred in less than 100 ns in a steroid molecule having two distinct electron binding groups separated by distances distributed from 7--11 A. Experiments were carried out in organic glasses at 77 K with pulse radiolysis techniques to create trapped electrons which were captured by a group on one end of the steroid molecule. Although one of the groups, benzoate, is held to the steroid spacer by a flexible linkage, the rigidity of the glassy matrices prevented movement to alter the initial distance. Interestingly, no effects of distance were seen: all ET processes appeared to have occurred much faster than our 100 ns time resolution, consistent with measurements of the rate of intermolecular electron transfer between the same functional groups in random solutions. Solvation energetics, on the other hand, had a remarkable influence on the extent and direction of electron transfer. A change in solvent polarity was observed to reverse the direction of electron transfer. Evidence was obtained for a distribution of solvation environments for ions in glasses which may be as broad as 0.15 eV

  6. Tyrosine oxidation in heme oxygenase: examination of long-range proton-coupled electron transfer.

    Science.gov (United States)

    Smirnov, Valeriy V; Roth, Justine P

    2014-10-01

    Heme oxygenase is responsible for the degradation of a histidine-ligated ferric protoporphyrin IX (Por) to biliverdin, CO, and the free ferrous ion. Described here are studies of tyrosyl radical formation reactions that occur after oxidizing Fe(III)(Por) to Fe(IV)=O(Por(·+)) in human heme oxygenase isoform-1 (hHO-1) and the structurally homologous protein from Corynebacterium diphtheriae (cdHO). Site-directed mutagenesis on hHO-1 probes the reduction of Fe(IV)=O(Por(·+)) by tyrosine residues within 11 Å of the prosthetic group. In hHO-1, Y58· is implicated as the most likely site of oxidation, based on the pH and pD dependent kinetics. The absence of solvent deuterium isotope effects in basic solutions of hHO-1 and cdHO contrasts with the behavior of these proteins in the acidic solution, suggesting that long-range proton-coupled electron transfer predominates over electron transfer.

  7. Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.

    Science.gov (United States)

    Kunze, Cindy; Bommer, Martin; Hagen, Wilfred R; Uksa, Marie; Dobbek, Holger; Schubert, Torsten; Diekert, Gabriele

    2017-07-03

    The capacity of metal-containing porphyrinoids to mediate reductive dehalogenation is implemented in cobamide-containing reductive dehalogenases (RDases), which serve as terminal reductases in organohalide-respiring microbes. RDases allow for the exploitation of halogenated compounds as electron acceptors. Their reaction mechanism is under debate. Here we report on substrate-enzyme interactions in a tetrachloroethene RDase (PceA) that also converts aryl halides. The shape of PceA's highly apolar active site directs binding of bromophenols at some distance from the cobalt and with the hydroxyl substituent towards the metal. A close cobalt-substrate interaction is not observed by electron paramagnetic resonance spectroscopy. Nonetheless, a halogen substituent para to the hydroxyl group is reductively eliminated and the path of the leaving halide is traced in the structure. Based on these findings, an enzymatic mechanism relying on a long-range electron transfer is concluded, which is without parallel in vitamin B 12 -dependent biochemistry and represents an effective mode of RDase catalysis.

  8. Long-range intramolecular electron transfer in aromatic radical anions and binuclear transition metal complexes

    DEFF Research Database (Denmark)

    Kuznetsov, A. M.; Ulstrup, Jens

    1981-01-01

    Intramolecular electron transfer (ET) over distances up to about 10 Å between states in which the electron is localized on donor and acceptor groups by interaction with molecular or external solvent nuclear motion occurs, in particular, in two classes of systems. The excess electron in anionic ra...

  9. Single-Nanoparticle Resolved Biomimetic Long-Range Electron Transfer and Electrocatalysis of Mixed-Valence Nanoparticles

    DEFF Research Database (Denmark)

    Zhu, Nan; Hao, Xian; Ulstrup, Jens

    2016-01-01

    Long-range electron transfer (LRET) is a core elementary step in a wealth of processes central to chemistry and biology, including photosynthesis, respiration, and catalysis. In nature, biological catalysis is performed by enzymes. However, enzymes are structurally fragile and have limited stabil...

  10. Coupled quantum-classical method for long range charge transfer: relevance of the nuclear motion to the quantum electron dynamics

    International Nuclear Information System (INIS)

    Da Silva, Robson; Hoff, Diego A; Rego, Luis G C

    2015-01-01

    Charge and excitonic-energy transfer phenomena are fundamental for energy conversion in solar cells as well as artificial photosynthesis. Currently, much interest is being paid to light-harvesting and energy transduction processes in supramolecular structures, where nuclear dynamics has a major influence on electronic quantum dynamics. For this reason, the simulation of long range electron transfer in supramolecular structures, under environmental conditions described within an atomistic framework, has been a difficult problem to study. This work describes a coupled quantum mechanics/molecular mechanics method that aims at describing long range charge transfer processes in supramolecular systems, taking into account the atomistic details of large molecular structures, the underlying nuclear motion, and environmental effects. The method is applied to investigate the relevance of electron–nuclei interaction on the mechanisms for photo-induced electron–hole pair separation in dye-sensitized interfaces as well as electronic dynamics in molecular structures. (paper)

  11. Single-molecule Mapping of Long-range Electron Transfer for a Cytochrome b562 Variant

    DEFF Research Database (Denmark)

    Della Pia, Eduardo Antonio; Chi, Qijin; Jones, D. Dafydd

    2011-01-01

    Cytochrome b562 was engineered to introduce a cysteine residue at a surface-exposed position to facilitate direct self-assembly on a Au(111) surface. The confined protein exhibited reversible and fast electron exchange with a gold substrate over a distance of 20 Å between the heme redox center an...

  12. Overpotential-induced lability of the electronic overlap factor in long-range electrochemical electron transfer: charge and distance dependence

    DEFF Research Database (Denmark)

    Kornyshev, A. A.; Kuznetsov, A. M.; Nielsen, Jens Ulrik

    2000-01-01

    Long-distance electrochemical electron transfer exhibits approximately exponential dependence on the electron transfer distance. On the basis of a jellium model of the metal surface we show that the slope of the logarithm of the current vs. the transfer distance also depends strongly...

  13. Long-range electron transfer in zinc-phthalocyanine-oligo(phenylene-ethynylene)-based donor-bridge-acceptor dyads.

    Science.gov (United States)

    Göransson, Erik; Boixel, Julien; Fortage, Jérôme; Jacquemin, Denis; Becker, Hans-Christian; Blart, Errol; Hammarström, Leif; Odobel, Fabrice

    2012-11-05

    In the context of long-range electron transfer for solar energy conversion, we present the synthesis, photophysical, and computational characterization of two new zinc(II) phthalocyanine oligophenylene-ethynylene based donor-bride-acceptor dyads: ZnPc-OPE-AuP(+) and ZnPc-OPE-C(60). A gold(III) porphyrin and a fullerene has been used as electron accepting moieties, and the results have been compared to a previously reported dyad with a tin(IV) dichloride porphyrin as the electron acceptor (Fortage et al. Chem. Commun. 2007, 4629). The results for ZnPc-OPE-AuP(+) indicate a remarkably strong electronic coupling over a distance of more than 3 nm. The electronic coupling is manifested in both the absorption spectrum and an ultrafast rate for photoinduced electron transfer (k(PET) = 1.0 × 10(12) s(-1)). The charge-shifted state in ZnPc-OPE-AuP(+) recombines with a relatively low rate (k(BET) = 1.0 × 10(9) s(-1)). In contrast, the rate for charge transfer in the other dyad, ZnPc-OPE-C(60), is relatively slow (k(PET) = 1.1 × 10(9) s(-1)), while the recombination is very fast (k(BET) ≈ 5 × 10(10) s(-1)). TD-DFT calculations support the hypothesis that the long-lived charge-shifted state of ZnPc-OPE-AuP(+) is due to relaxation of the reduced gold porphyrin from a porphyrin ring based reduction to a gold centered reduction. This is in contrast to the faster recombination in the tin(IV) porphyrin based system (k(BET) = 1.2 × 10(10) s(-1)), where the excess electron is instead delocalized over the porphyrin ring.

  14. Gold nanoparticle assisted assembly of a heme protein for enhancement of long-range interfacial electron transfer

    DEFF Research Database (Denmark)

    Jensen, Palle Skovhus; Chi, Qijin; Grumsen, Flemming Bjerg

    2007-01-01

    and characterization of water-soluble gold nanoparticles (AuNPs) with core diameter 3-4 nm and their application for the enhancement of long-range interfacial ET of a heme protein. Gold nanoparticles were electrostatically conjugated with cyt c to form nanoparticle-protein hybrid ET systems with well...... and the protein molecule. When the nanoparticle-protein conjugates are assembled on Au(111) surfaces, long-range interfacial ET across a physical distance of over 50 A via the nanoparticle becomes feasible. Moreover, significant enhancement of the interfacial ET rate by more than an order of magnitude compared...... with that of cyt c in the absence of AuNPs is observed. AuNPs appear to serve as excellent ET relays, most likely by facilitating the electronic coupling between the protein redox center and the electrode surface....

  15. Long-range electron transfer in porphyrin-containing [2]-rotaxanes: tuning the rate by metal cation coordination.

    Science.gov (United States)

    Andersson, Mikael; Linke, Myriam; Chambron, Jean-Claude; Davidsson, Jan; Heitz, Valérie; Hammarström, Leif; Sauvage, Jean-Pierre

    2002-04-24

    A series of [2]-rotaxanes has been synthesized in which two Zn(II)-porphyrins (ZnP) electron donors were attached as stoppers on the rod. A macrocycle attached to a Au(III)-porphyrin (AuP+) acceptor was threaded on the rod. By selective excitation of either porphyrin, we could induce an electron transfer from the ZnP to the AuP+ unit that generated the same ZnP*+-AuP* charge-transfer state irrespective of which porphyrin was excited. Although the reactants were linked only by mechanical or coordination bonds, electron-transfer rate constants up to 1.2x10(10) x s(-1) were obtained over a 15-17 A edge-to-edge distance between the porphyrins. The resulting charge-transfer state had a relatively long lifetime of 10-40 ns and was formed in high yield (>80%) in most cases. By a simple variation of the link between the reactants, viz. a coordination of the phenanthroline units on the rotaxane rod and ring by either Ag+ or Cu+, we could enhance the electron-transfer rate from the ZnP to the excited 3AuP+. We interpret our data in terms of an enhanced superexchange mechanism with Ag+ and a change to a stepwise hopping mechanism with Cu+, involving the oxidized Cu(phen)22+ unit as a real intermediate. When the ZnP unit was excited instead, electron transfer from the excited 1ZnP to AuP+ was not affected, or even slowed, by Ag+ or Cu+. We discuss this asymmetry in terms of the different orbitals involved in mediating the reaction in an electron- and a hole-transfer mechanism. Our results show the possibility to tune the rates of electron transfer between noncovalently linked reactants by a convenient modification of the link. The different effect of Ag+ and Cu+ on the rate with ZnP and AuP+ excitation shows an additional possibility to control the electron-transfer reactions by selective excitation. We also found that coordination of the Cu+ introduced an energy-transfer reaction from 1ZnP to Cu(phen)2+ (k = 5.1x10(9) x s(-1)) that proceeded in competition with electron

  16. Long range inductive power transfer system

    International Nuclear Information System (INIS)

    Lawson, James; Pinuela, Manuel; Yates, David C; Lucyszyn, Stepan; Mitcheson, Paul D

    2013-01-01

    We report upon a recently developed long range inductive power transfer system (IPT) designed to power remote sensors with mW level power consumption at distances up to 7 m. In this paper an inductive link is established between a large planar (1 × 1 m) transmit coil (Tx) and a small planer (170 × 170 mm) receiver coil (Rx), demonstrating the viability of highly asymmetrical coil configurations that real-world applications such as sensor networks impose. High Q factor Tx and Rx coils required for viable power transfer efficiencies over such distances are measured using a resonant method. The applicability of the Class-E amplifier in very low magnetic coupling scenarios and at the high frequencies of operation required for high Q operation is demonstrated by its usage as the Tx coil driver

  17. Photoinduced electron transfer for an eosin-tyrosine conjugate. Activity of the tyrosinate anion in long-range electron transfer in a protein-like polymer matrix

    Energy Technology Data Exchange (ETDEWEB)

    Jones, G. II; Feng, Z.; Oh, C. [Boston Univ., MA (United States)

    1995-03-23

    The Xanthene dye eosin Y has been modified via a thiohydantoin link to the amine terminus of the amino acid L-tyrosine. Photochemical electron transfer involving the singlet state of the dye and the attached phenol-containing residue led to a reduction in eosin fluorescence quantum yield and lifetime for aqueous solutions at elevated pH. The conjugate provided an electron transfer product of relatively long lifetime (1 {mu}s range) observed by flash photolysis of solutions at pH 12.0, conditions under which the tyrosine moiety is ionized. The effects of binding of the conjugate in the polymer poly(vinylpyrrolidone) (PVP) on the rates of electron transfer of species of different charge type were examined. 30 refs., 5 figs., 1 tab.

  18. Long-range protein electron transfer observed at the single-molecule level: In situ mapping of redox-gated tunneling resonance

    DEFF Research Database (Denmark)

    Chi, Qijin; Farver, O; Ulstrup, Jens

    2005-01-01

    on the redox potential. Maximum resonance appears around the equilibrium redox potential of azurin with an on/off current ratio of approximate to 9. Simulation analyses, based on a two-step interfacial ET model for the scanning tunneling microscopy redox process, were performed and provide quantitative......A biomimetic long-range electron transfer (ET) system consisting of the blue copper protein azurin, a tunneling barrier bridge, and a gold single-crystal electrode was designed on the basis of molecular wiring self-assembly principles. This system is sufficiently stable and sensitive in a quasi...... constants display tunneling features with distance-decay factors of 0.83 and 0.91 angstrom(-1) in H2O and D2O, respectively. Redox-gated tunneling resonance is observed in situ at the single-molecule level by using electrochemical scanning tunneling microscopy, exhibiting an asymmetric dependence...

  19. Long range coherence in free electron lasers

    Science.gov (United States)

    Colson, W. B.

    1984-01-01

    The simple free electron laser (FEL) design uses a static, periodic, transverse magnetic field to undulate relativistic electrons traveling along its axis. This allows coupling to a co-propagating optical wave and results in bunching to produce coherent radiation. The advantages of the FEL are continuous tunability, operation at wavelengths ranging from centimeters to angstroms, and high efficiency resulting from the fact that the interaction region only contains light, relativistic electrons, and a magnetic field. Theoretical concepts and operational principles are discussed.

  20. Position-insensitive long range inductive power transfer

    International Nuclear Information System (INIS)

    Kwan, Christopher H; Lawson, James; Yates, David C; Mitcheson, Paul D

    2014-01-01

    This paper presents results of an improved inductive wireless power transfer system for reliable long range powering of sensors with milliwatt-level consumption. An ultra-low power flyback impedance emulator operating in open loop is used to present the optimal load to the receiver's resonant tank. Transmitter power modulation is implemented in order to maintain constant receiver power and to prevent damage to the receiver electronics caused by excessive received voltage. Received power is steady up to 3 m at around 30 mW. The receiver electronics and feedback system consumes 3.1 mW and so with a transmitter input power of 163.3 W the receiver becomes power neutral at 4.75 m. Such an IPT system can provide a reliable alternative to energy harvesters for supplying power concurrently to multiple remote sensors

  1. The Au-S bond and SAM-protein contact in long-range electron transfer of pure and biomimetic metalloproteins via functionalized alkanethiol linkers

    DEFF Research Database (Denmark)

    Chi, Qijin; Ford, Michael J.; Halder, Arnab

    disentangled a wealth of data to identify the nature of the crucial Au-S contact, all suggesting prevalence of a Au(0)-thiyl radical unit. Molecular packing is further determined by the SAM molecular structure and involves binding either to Au-atoms mined out of the surface or directly to a flat surface. We...... functionalized alkanethiols have emerged as core linkers. We have studied molecular linking in the long-range ET (LRET) processes in detail using electrochemistry, in situ STM and AFM, and electronic structure computations. A focus is the electronic structure of the Au-S link and the SAM packing. We have...... is exceedingly sensitive to the structure of the thiol-based SAM molecules, testifying to the crucial importance of SAM packing and Au-S binding, and of the SAM link to the protein. Some of the subtleties are illustrated simpler by similar size (5-6 nm) nanoparticles (NPs). Biomimetic NPs must possess a certain...

  2. Long-range interfacial electron transfer and electrocatalysis of molecular scale Prussian Blue nanoparticles linked to Au(111)-electrode surfaces by different chemical contacting groups

    DEFF Research Database (Denmark)

    Zhu, Nan; Ulstrup, Jens; Chi, Qijin

    2017-01-01

    We have explored interfacial electrochemical electron transfer (ET) and electrocatalysis of 5–6 nm Prussian Blue nanoparticles (PBNPs) immobilized on Au(111)-electrode surfaces via molecular wiring with variable-length, and differently functionalized thiol-based self-assembled molecular monolayers...... (SAMs). The SAMs contain positively (−NH3+) or negatively charged (–COO–) terminal group, as well an electrostatically neutral hydrophobic terminal group (–CH3). The surface microscopic structures of the immobilized PBNPs were characterized by high-resolution atomic force microscopy (AFM) directly...... in aqueous electrolyte solution under the same conditions as for electrochemical measurements. The PBNPs displayed fast and reversible interfacial ET on all the surfaces, notably in multi-ET steps as reflected in narrow voltammetric peaks. The ET kinetics can be controlled by adjusting the length of the SAM...

  3. Long range energy transfer in graphene hybrid structures

    International Nuclear Information System (INIS)

    Gonçalves, Hugo; Bernardo, César; Moura, Cacilda; Belsley, Michael; Schellenberg, Peter; Ferreira, R A S; André, P S; Stauber, Tobias

    2016-01-01

    In this work we quantify the distance dependence for the extraction of energy from excited chromophores by a single layer graphene flake over a large separation range. To this end hybrid structures were prepared, consisting of a thin (2 nm) layer of a polymer matrix doped with a well chosen strongly fluorescent organic molecule, followed by an un-doped spacer layer of well-defined thicknesses made of the same polymer material and an underlying single layer of pristine, undoped graphene. The coupling strength is assessed through the variation of the fluorescence decay kinetics as a function of distance between the graphene and the excited chromophore molecules. Non-radiative energy transfer to the graphene was observed at distances of up to 60 nm; a range much greater than typical energy transfer distances observed in molecular systems. (paper)

  4. Long-range energy transfer in self-assembled quantum dot-DNA cascades

    Science.gov (United States)

    Goodman, Samuel M.; Siu, Albert; Singh, Vivek; Nagpal, Prashant

    2015-11-01

    The size-dependent energy bandgaps of semiconductor nanocrystals or quantum dots (QDs) can be utilized in converting broadband incident radiation efficiently into electric current by cascade energy transfer (ET) between layers of different sized quantum dots, followed by charge dissociation and transport in the bottom layer. Self-assembling such cascade structures with angstrom-scale spatial precision is important for building realistic devices, and DNA-based QD self-assembly can provide an important alternative. Here we show long-range Dexter energy transfer in QD-DNA self-assembled single constructs and ensemble devices. Using photoluminescence, scanning tunneling spectroscopy, current-sensing AFM measurements in single QD-DNA cascade constructs, and temperature-dependent ensemble devices using TiO2 nanotubes, we show that Dexter energy transfer, likely mediated by the exciton-shelves formed in these QD-DNA self-assembled structures, can be used for efficient transport of energy across QD-DNA thin films.The size-dependent energy bandgaps of semiconductor nanocrystals or quantum dots (QDs) can be utilized in converting broadband incident radiation efficiently into electric current by cascade energy transfer (ET) between layers of different sized quantum dots, followed by charge dissociation and transport in the bottom layer. Self-assembling such cascade structures with angstrom-scale spatial precision is important for building realistic devices, and DNA-based QD self-assembly can provide an important alternative. Here we show long-range Dexter energy transfer in QD-DNA self-assembled single constructs and ensemble devices. Using photoluminescence, scanning tunneling spectroscopy, current-sensing AFM measurements in single QD-DNA cascade constructs, and temperature-dependent ensemble devices using TiO2 nanotubes, we show that Dexter energy transfer, likely mediated by the exciton-shelves formed in these QD-DNA self-assembled structures, can be used for efficient

  5. van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections

    International Nuclear Information System (INIS)

    Angyan, Janos G.; Gerber, Iann C.; Savin, Andreas; Toulouse, Julien

    2005-01-01

    Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron interaction in the Hamiltonian into short- and long-range components. We propose a 'range-separated hybrid' functional based on a local density approximation for the short-range exchange-correlation energy, combined with a long-range exact exchange energy. Long-range correlation effects are added by a second-order perturbational treatment. The resulting scheme is general and is particularly well adapted to describe van der Waals complexes, such as rare gas dimers

  6. Quantum-state transfer through long-range correlated disordered channels

    Science.gov (United States)

    Almeida, Guilherme M. A.; de Moura, Francisco A. B. F.; Lyra, Marcelo L.

    2018-05-01

    We study quantum-state transfer in XX spin-1/2 chains where both communicating spins are weakly coupled to a channel featuring disordered on-site magnetic fields. Fluctuations are modeled by long-range correlated sequences with self-similar profile obeying a power-law spectrum. We show that the channel is able to perform almost perfect quantum-state transmissions even in the presence of significant amounts of disorder provided the degree of those correlations is strong enough, with the cost of having long transfer times and unavoidable timing errors. Still, we show that the lack of mirror symmetry in the channel does not affect much the likelihood of having high-quality outcomes. Our results suggest that coexistence between localized and delocalized states can diminish effects of static perturbations in solid-state devices for quantum communication.

  7. Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence

    International Nuclear Information System (INIS)

    Gori-Giorgi, Paola; Savin, Andreas

    2006-01-01

    The combination of density-functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is raising more and more interest in recent years. In this work some properties of the corresponding correlation energy functionals are derived by studying the electron-electron coalescence condition for a modified (long-range-only) interaction. A general relation for the on-top (zero electron-electron distance) pair density is derived, and its usefulness is discussed with some examples. For the special case of the uniform electron gas, a simple parametrization of the on-top pair density for a long-range only interaction is presented and supported by calculations within the ''extended Overhauser model.'' The results of this work can be used to build self-interaction corrected short-range correlation energy functionals

  8. Long-Range Electron Effects upon Irradiation of Molecular Solids and Polymers

    International Nuclear Information System (INIS)

    Feldman, V.I.

    2006-01-01

    Long-range electron effects are responsible for specific localization and selectivity of the radiation-induced chemical transformations occurring in molecular solids and polymers, when the classic diffusion mobility is essentially restricted. In particullar, understanding of the effects of this kind may be of key significance for establishing new ways to control the radiation sensitivity of macromolecules and organized polymeric systems, nanomaterials and biopolymers. This talk will present an overview of model studies of the long-range electron effects with the characteristic scale from several angstroms to ten nanometers. The following aspects of the problem will be analyzed: (1) Positive hole delocalization in ionized molecules. This phenomenon has been demonstrated experimentally and confirmed by quantum chemical calculations for a number of various-type molecules (alkanes, conjugated polyenes, bifunctional compounds). The effective delocalization length was found to be up to 2 nm (or even larger). The role of this effect in site-selective radiation chemistry will be discussed in the frame of concepts of distributed reactivity and 'switching' between delocalized and localized states. (2) Trap-to-trap positive hole and electron migration between isolated molecules or functional groups. The characteristic distance for this process was estimated to be 2 to 4 nm. Special impact will be made on the possible role of this process in selection of specific isomers or conformers upon irradiation of complex systems and macromolecules. (3) The effects of long-range scavenging of low-energy secondary electrons in polymers and organized polymeric systems. As revealed by model experiments, the radius of electron capture in solid polymers may be in the range of 1 to 10 nm. Possible implications of scavenging effects for controlling the radiation chemistry of polymers and organized polymeric systems will be considered

  9. Long-range intramolecular electron transfer in azurins

    DEFF Research Database (Denmark)

    Farver, O; Pecht, I

    1989-01-01

    . aeruginosa) and (6.0 +/- 1.0) x 10(8) M-1.s-1 (Alcaligenes); (ii) a slow unimolecular phase with specific rates of 44 +/- 7 s-1 in the former and 8.5 +/- 1.5 s-1 for the latter (all at 298 K, 0.1 M ionic strength). Concomitant with the fast reduction of Cu(II), the single disulfide bridge linking cysteine-3...

  10. Electron spin resonance for the detection of long-range spin nematic order

    Science.gov (United States)

    Furuya, Shunsuke C.; Momoi, Tsutomu

    2018-03-01

    Spin nematic phase is a quantum magnetic phase characterized by a quadrupolar order parameter. Since the quadrupole operators are directly coupled to neither the magnetic field nor the neutron, currently, it is an important issue to develop a method for detecting the long-range spin nematic order. In this paper, we propose that electron spin resonance (ESR) measurements enable us to detect the long-range spin nematic order. We show that the frequency of the paramagnetic resonance peak in the ESR spectrum is shifted by the ferroquadrupolar order parameter together with other quantities. The ferroquadrupolar order parameter is extractable from the angular dependence of the frequency shift. In contrast, the antiferroquadrupolar order parameter is usually invisible in the frequency shift. Instead, the long-range antiferroquadrupolar order yields a characteristic resonance peak in the ESR spectrum, which we call a magnon-pair resonance peak. This resonance corresponds to the excitation of the bound magnon pair at the wave vector k =0 . Reflecting the condensation of bound magnon pairs, the field dependence of the magnon-pair resonance frequency shows a singular upturn at the saturation field. Moreover, the intensity of the magnon-pair resonance peak shows a characteristic angular dependence and it vanishes when the magnetic field is parallel to one of the axes that diagonalize the weak anisotropic interactions. We confirm these general properties of the magnon-pair resonance peak in the spin nematic phase by studying an S =1 bilinear-biquadratic model on the square lattice in the linear flavor-wave approximation. In addition, we argue applications to the S =1/2 frustrated ferromagnets and also the S =1/2 orthogonal dimer spin system SrCu2(BO3)2, both of which are candidate materials of spin nematics. Our theory for the antiferroquadrupolar ordered phase is consistent with many features of the magnon-pair resonance peak experimentally observed in the low

  11. Long-Range Intramolecular Electronic Communication in a Trinuclear Ruthenium Tropolonate Complex.

    Science.gov (United States)

    Yoshida, Jun; Kuwahara, Kyohei; Suzuki, Kota; Yuge, Hidetaka

    2017-02-20

    (trop) 3 ] units in 3 seems to be enhanced upon oxidation, resulting in the long-range intramolecular electronic communication.

  12. Fermi-edge singularity in one-dimensional electron systems with long-range Coulomb interactions

    International Nuclear Information System (INIS)

    Otani, H.; Ogawa, T.

    1996-01-01

    Effects of long-range Coulomb interactions on the Fermi-edge singularity in optical spectra are investigated theoretically for one-dimensional spin-1/2 fermion systems with the use of the Tomonaga-Luttinger bosonization technique. Low-energy excitation spectrum near the Fermi level shows that dispersion of the charge-density fluctuation remains gapless but is nonlinear when the electron-electron (e-e) Coulomb interaction is of the x -1 type (i.e., an infinite force range). Temporal behavior of the current-current correlation function is calculated analytically for arbitrary force ranges, λ e and λ h , of the e-e and the electron-hole (e-h) Coulomb interactions. (i) When both the e-e and the e-h interactions have large but finite force ranges (λ e h max[λ e ,λ h ]/v F . Corresponding optical spectrum near the Fermi edge (within an energy range of ℎv F /max[λ e ,λ h ]) exhibits the power-law divergence or the power-law convergence, which is an ordinary Fermi-edge singularity. (ii) When either the e-e or the e-h interaction is of the x -1 type (i.e., λ e →∞ and/or λ h →∞), an exponent of the correlation function is dependent on time to lead the faster decay than that of any power laws. Then the optical spectra show no power law dependence and always converge (become zero) at the Fermi edge, which is in striking contrast to the ordinary power-law singularity

  13. Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes

    Czech Academy of Sciences Publication Activity Database

    Mikolajczyk, M. M.; Zalesny, R.; Czyznikowska, Z.; Toman, Petr; Leszczynski, J.; Bartkowiak, W.

    2011-01-01

    Roč. 17, č. 9 (2011), s. 2143-2149 ISSN 1610-2940 R&D Projects: GA ČR(CZ) GAP205/10/2280; GA MŠk MEB051010 Institutional research plan: CEZ:AV0Z40500505 Keywords : charge-transfer integral * density functional theory * long-range corrected functionals Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.797, year: 2011

  14. Long Range Transport of Air Pollution Into Norway - A Transfer Function Approach

    Directory of Open Access Journals (Sweden)

    Eivind Damsleth

    1984-07-01

    Full Text Available The daily and monthly concentration of sulphate in the air at Birkcnes in the southern part of Norway is analysed within an intervention analysis and transfer function framework. As input to the model we use the prevailing wind direction. It is shown that when the wind comes mainly from the South, that is from Central Europe and England, this gives a significant increase in the sulphate concentration, while a northern wind leads to a decrease.

  15. Axial anomaly in e+e- → γγ and the long-range electron attraction in QED

    International Nuclear Information System (INIS)

    Teryaev, O.V.

    1991-12-01

    The spin-dependent total cross-section of e + e - → γγ is shown to have a δ(q 2 ) singularity for m e → 0. The corresponding massless excitation provides a long-range pairing force between transverse polarized electrons moving in a plane. (author). 13 refs, 2 figs

  16. Long-Range Reduced Predictive Information Transfers of Autistic Youths in EEG Sensor-Space During Face Processing.

    Science.gov (United States)

    Khadem, Ali; Hossein-Zadeh, Gholam-Ali; Khorrami, Anahita

    2016-03-01

    The majority of previous functional/effective connectivity studies conducted on the autistic patients converged to the underconnectivity theory of ASD: "long-range underconnectivity and sometimes short-rang overconnectivity". However, to the best of our knowledge the total (linear and nonlinear) predictive information transfers (PITs) of autistic patients have not been investigated yet. Also, EEG data have rarely been used for exploring the information processing deficits in autistic subjects. This study is aimed at comparing the total (linear and nonlinear) PITs of autistic and typically developing healthy youths during human face processing by using EEG data. The ERPs of 12 autistic youths and 19 age-matched healthy control (HC) subjects were recorded while they were watching upright and inverted human face images. The PITs among EEG channels were quantified using two measures separately: transfer entropy with self-prediction optimality (TESPO), and modified transfer entropy with self-prediction optimality (MTESPO). Afterwards, the directed differential connectivity graphs (dDCGs) were constructed to characterize the significant changes in the estimated PITs of autistic subjects compared with HC ones. By using both TESPO and MTESPO, long-range reduction of PITs of ASD group during face processing was revealed (particularly from frontal channels to right temporal channels). Also, it seemed the orientation of face images (upright or upside down) did not modulate the binary pattern of PIT-based dDCGs, significantly. Moreover, compared with TESPO, the results of MTESPO were more compatible with the underconnectivity theory of ASD in the sense that MTESPO showed no long-range increase in PIT. It is also noteworthy that to the best of our knowledge it is the first time that a version of MTE is applied for patients (here ASD) and it is also its first use for EEG data analysis.

  17. Extensive disordering in long-range-ordered Cu3Au induced by severe plastic deformation studied by transmission electron microscopy

    International Nuclear Information System (INIS)

    Rentenberger, C.; Karnthaler, H.P.

    2008-01-01

    Bulk nanocrystalline materials can be made by severe plastic deformation. In L1 2 long-range-ordered alloys, this leads to extensive disordering which influences the highly improved properties of these nanocrystalline alloys. Transmission electron microscopy methods were applied to Cu 3 Au; both diffraction contrast images and diffraction patterns reveal that disordering takes place locally. It is concluded that in addition to disordering by the refinement of the grown-in antiphase boundary domains, the formation of antiphase boundary tubes is a prominent process of disordering. The latter is facilitated by the fact that, unlike dislocations, antiphase boundary tubes can be stored at a very high density without causing long-range stresses. The local disordering indicates that the nanocrystalline structure nucleates inhomogeneously in the highly strained disordered regions

  18. Role of electron correlation and long range magnetic order in the electronic structure of Ca(Sr)RuO3

    International Nuclear Information System (INIS)

    Singh, Ravi Shankar; Medicherla, V.R.R.; Maiti, Kalobaran

    2008-01-01

    The room temperature photoemission spectra collected at different surface sensitivities reveal qualitatively different surface and bulk electronic structures in CaRuO 3 and SrRuO 3 . The extracted bulk spectra are dominated by the coherent feature intensity with a weak correlation induced feature at higher binding energies. The First principle calculations provide a wonderful representation of the bulk spectra for the effective electron correlation strength, U/W∼0.2 as expected for highly extended 4d systems. This resolves a long-standing issue that arose due to the prediction of large U/W similar to 3d systems. Photoemission spectra across the magnetic phase transition reveal unusual evolution exhibiting a large reduction in the coherent feature intensity in the bulk spectrum of SrRuO 3 , while the bulk spectrum in CaRuO 3 remains almost the same down to the lowest temperature studied

  19. Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.

    Science.gov (United States)

    Gerlits, Oksana; Wymore, Troy; Das, Amit; Shen, Chen-Hsiang; Parks, Jerry M; Smith, Jeremy C; Weiss, Kevin L; Keen, David A; Blakeley, Matthew P; Louis, John M; Langan, Paul; Weber, Irene T; Kovalevsky, Andrey

    2016-04-11

    Neutron crystallography was used to directly locate two protons before and after a pH-induced two-proton transfer between catalytic aspartic acid residues and the hydroxy group of the bound clinical drug darunavir, located in the catalytic site of enzyme HIV-1 protease. The two-proton transfer is triggered by electrostatic effects arising from protonation state changes of surface residues far from the active site. The mechanism and pH effect are supported by quantum mechanics/molecular mechanics (QM/MM) calculations. The low-pH proton configuration in the catalytic site is deemed critical for the catalytic action of this enzyme and may apply more generally to other aspartic proteases. Neutrons therefore represent a superb probe to obtain structural details for proton transfer reactions in biological systems at a truly atomic level. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. The impact of long-range electron-hole interaction on the charge separation yield of molecular photocells

    Science.gov (United States)

    Nemati Aram, Tahereh; Ernzerhof, Matthias; Asgari, Asghar; Mayou, Didier

    2017-01-01

    We discuss the effects of charge carrier interaction and recombination on the operation of molecular photocells. Molecular photocells are devices where the energy conversion process takes place in a single molecular donor-acceptor complex attached to electrodes. Our investigation is based on the quantum scattering theory, in particular on the Lippmann-Schwinger equation; this minimizes the complexity of the problem while providing useful and non-trivial insight into the mechanism governing photocell operation. In this study, both exciton pair creation and dissociation are treated in the energy domain, and therefore there is access to detailed spectral information, which can be used as a framework to interpret the charge separation yield. We demonstrate that the charge carrier separation is a complex process that is affected by different parameters, such as the strength of the electron-hole interaction and the non-radiative recombination rate. Our analysis helps to optimize the charge separation process and the energy transfer in organic solar cells and in molecular photocells.

  1. Electron Transport in a Dioxygenase-Ferredoxin Complex: Long Range Charge Coupling between the Rieske and Non-Heme Iron Center.

    Directory of Open Access Journals (Sweden)

    Wayne K Dawson

    Full Text Available Dioxygenase (dOx utilizes stereospecific oxidation on aromatic molecules; consequently, dOx has potential applications in bioremediation and stereospecific oxidation synthesis. The reactive components of dOx comprise a Rieske structure Cys2[2Fe-2S]His2 and a non-heme reactive oxygen center (ROC. Between the Rieske structure and the ROC, a universally conserved Asp residue appears to bridge the two structures forming a Rieske-Asp-ROC triad, where the Asp is known to be essential for electron transfer processes. The Rieske and ROC share hydrogen bonds with Asp through their His ligands; suggesting an ideal network for electron transfer via the carboxyl side chain of Asp. Associated with the dOx is an itinerant charge carrying protein Ferredoxin (Fdx. Depending on the specific cognate, Fdx may also possess either the Rieske structure or a related structure known as 4-Cys-[2Fe-2S] (4-Cys. In this study, we extensively explore, at different levels of theory, the behavior of the individual components (Rieske and ROC and their interaction together via the Asp using a variety of density function methods, basis sets, and a method known as Generalized Ionic Fragment Approach (GIFA that permits setting up spin configurations manually. We also report results on the 4-Cys structure for comparison. The individual optimized structures are compared with observed spectroscopic data from the Rieske, 4-Cys and ROC structures (where information is available. The separate pieces are then combined together into a large Rieske-Asp-ROC (donor/bridge/acceptor complex to estimate the overall coupling between individual components, based on changes to the partial charges. The results suggest that the partial charges are significantly altered when Asp bridges the Rieske and the ROC; hence, long range coupling through hydrogen bonding effects via the intercalated Asp bridge can drastically affect the partial charge distributions compared to the individual isolated

  2. Long-range versus short-range correlations in the two-neutron transfer reaction 64Ni(18O,16O)66Ni

    Science.gov (United States)

    Paes, B.; Santagati, G.; Vsevolodovna, R. Magana; Cappuzzello, F.; Carbone, D.; Cardozo, E. N.; Cavallaro, M.; García-Tecocoatzi, H.; Gargano, A.; Ferreira, J. L.; Lenzi, S. M.; Linares, R.; Santopinto, E.; Vitturi, A.; Lubian, J.

    2017-10-01

    Recently, various two-neutron transfer studies using the (18O,16O) reaction were performed with a large success. This was achieved because of a combined use of the microscopic quantum description of the reaction mechanism and of the nuclear structure. In the present work we use this methodology to study the two-neutron transfer reaction of the 18O+64Ni system at 84 MeV incident energy, to the ground and first 2+ excited state of the residual 66Ni nucleus. All the experimental data were measured by the large acceptance MAGNEX spectrometer at the Instituto Nazionale di Fisica Nucleare -Laboratori Nazionali del Sud (Italy). We have performed exact finite range cross section calculations using the coupled channel Born approximation (CCBA) and coupled reaction channel (CRC) method for the sequential and direct two-neutron transfers, respectively. Moreover, this is the first time that the formalism of the microscopic interaction boson model (IBM-2) was applied to a two-neutron transfer reaction. From our results we conclude that for two-neutron transfer to the ground state of 66Ni, the direct transfer is the dominant reaction mechanism, whereas for the transfer to the first excited state of 66Ni, the sequential process dominates. A competition between long-range and short-range correlations is discussed, in particular, how the use of two different models (Shell model and IBM's) help to disentangle long- and short-range correlations.

  3. Electron transfer reactions

    CERN Document Server

    Cannon, R D

    2013-01-01

    Electron Transfer Reactions deals with the mechanisms of electron transfer reactions between metal ions in solution, as well as the electron exchange between atoms or molecules in either the gaseous or solid state. The book is divided into three parts. Part 1 covers the electron transfer between atoms and molecules in the gas state. Part 2 tackles the reaction paths of oxidation states and binuclear intermediates, as well as the mechanisms of electron transfer. Part 3 discusses the theories and models of the electron transfer process; theories and experiments involving bridged electron transfe

  4. Long-Range Interfacial Electrochemical Electron Transfer of Pseudomonas aeruginosa Azurin-Gold Nanoparticle Hybrid Systems

    DEFF Research Database (Denmark)

    Jensen, Palle Skovhus; Chi, Qijin; Zhang, Jingdong

    2009-01-01

    We have prepared a "hybrid" of the blue copper protein azurin (Pseudomonas aeruginosa) and a 3 nm gold nanoparticle (AuNP). The AuNP/azurin hybrid was assembled on a Au(111)-electrode surface in a two-step process. The AuNP was first attached to the Au(111) electrode via Au-S chemisorption of a 4...

  5. Magnetic and electronic properties of NpCo.sub.2./sub.: Evidence for long-range magnetic order

    Czech Academy of Sciences Publication Activity Database

    Sanchez, J.-P.; Griveau, J.C.; Javorský, P.; Colineau, E.; Eloirdi, R.; Boulet, P.; Rebizant, J.; Wastin, F.; Shick, Alexander; Caciuffo, R.

    2013-01-01

    Roč. 87, č. 13 (2013), "134410-1"-"134410-7" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : magnetic properties * electronic structure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013 http://link. aps .org/doi/10.1103/PhysRevB.87.134410

  6. Direct-Bandgap InAs Quantum-Dots Have Long-Range Electron--Hole Exchange Whereas Indirect Gap Si Dots Have Short-Range Exchange

    International Nuclear Information System (INIS)

    Juo, J.W.; Franceschetti, A.; Zunger, A.

    2009-01-01

    Excitons in quantum dots manifest a lower-energy spin-forbidden 'dark' state below a spin-allowed 'bright' state; this splitting originates from electron-hole (e-h) exchange interactions, which are strongly enhanced by quantum confinement. The e-h exchange interaction may have both a short-range and a long-range component. Calculating numerically the e-h exchange energies from atomistic pseudopotential wave functions, we show here that in direct-gap quantum dots (such as InAs) the e-h exchange interaction is dominated by the long-range component, whereas in indirect-gap quantum dots (such as Si) only the short-range component survives. As a result, the exciton dark/bright splitting scales as 1/R 2 in InAs dots and 1/R 3 in Si dots, where R is the quantum-dot radius.

  7. A graphene oxide-based sensing platform for the label-free assay of DNA sequence and exonuclease activity via long range resonance energy transfer.

    Science.gov (United States)

    Jiang, Yixuan; Tian, Jianniao; Chen, Sheng; Zhao, Yanchun; Wang, Yuan; Zhao, Shulin

    2013-07-01

    Graphene oxide (GO) was introduced as an efficient quencher for label-free and sensitive detection of DNA. Probe DNA (pDNA) was mixed with ethidium bromide (EB) and graphene oxide (GO). The interaction between EB and GO led to the fluorescent quenching. Upon the recognition of the target, EB was intercalated into duplex DNA and kept away from GO, which significantly hindered the long range resonance energy transfer (LrRET) from EB to GO and, thus, increased the fluorescence of EB. The changes in fluorescent intensity produced a novel method for sensitivity, and specificity detection of the target. Based on the structure-switching of aptamers, this strategy could be conveniently extended for detection of other biomolecules, which had been demonstrated by the detection of exonuclease activity.

  8. Density functional theory studies on the structures and electronic communication of meso-ferrocenylporphyrins: long range orbital coupling via porphyrin core.

    Science.gov (United States)

    Zhang, Lijuan; Qi, Dongdong; Zhang, Yuexing; Bian, Yongzhong; Jiang, Jianzhuang

    2011-02-01

    The molecular and electronic structures together with the electronic absorption spectra of a series of metal free meso-ferrocenylporphyrins, namely 5-ferrocenylporphyrin (1), 5,10-diferrocenylporphyrin (2), 5,15-diferrocenylporphyrin (3), 5,10,15-triferrocenylporphyrin (4), and 5,10,15,20-tetraferrocenylporphyrin (5) have been studied with the density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods. For the purpose of comparative studies, metal free porphyrin without any ferrocenyl group (0) and isolated ferrocene (6) were also calculated. The effects of the number and position of meso-attached ferrocenyl substituents on their molecular and electronic structures, atomic charges, molecular orbitals, and electronic absorption spectra of 1-5 were systematically investigated. The orbital coupling is investigated in detail, explaining well the long range coupling of ferrocenyl substituents connected via porphyrin core and the systematic change in the electronic absorption spectra of porphyrin compounds. Copyright © 2010 Elsevier Inc. All rights reserved.

  9. Long-range antigravity

    Energy Technology Data Exchange (ETDEWEB)

    Macrae, K.I.; Riegert, R.J. (Maryland Univ., College Park (USA). Center for Theoretical Physics)

    1984-10-01

    We consider a theory in which fermionic matter interacts via long-range scalar, vector and tensor fields. In order not to be in conflict with experiment, the scalar and vector couplings for a given fermion must be equal, as is natural in a dimensionally reduced model. Assuming that the Sun is not approximately neutral with respect to these new scalar-vector charges, and if the couplings saturate the experimental bounds, then their strength can be comparable to that of gravity. Scalar-vector fields of this strength can compensate for a solar quadrupole moment contribution to Mercury's anomalous perihelion precession.

  10. Long-range antigravity

    International Nuclear Information System (INIS)

    Macrae, K.I.; Riegert, R.J.

    1984-01-01

    We consider a theory in which fermionic matter interacts via long-range scalar, vector and tensor fields. In order not to be in conflict with experiment, the scalar and vector couplings for a given fermion must be equal, as is natural in a dimensionally reduced model. Assuming that the Sun is not approximately neutral with respect to these new scalar-vector charges, and if the couplings saturate the experimental bounds, then their strength can be comparable to that of gravity. Scalar-vector fields of this strength can compensate for a solar quadrupole moment contribution to Mercury's anomalous perihelion precession. (orig.)

  11. Electron transfer in proteins

    DEFF Research Database (Denmark)

    Farver, O; Pecht, I

    1991-01-01

    Electron migration between and within proteins is one of the most prevalent forms of biological energy conversion processes. Electron transfer reactions take place between active centers such as transition metal ions or organic cofactors over considerable distances at fast rates and with remarkable...... specificity. The electron transfer is attained through weak electronic interaction between the active sites, so that considerable research efforts are centered on resolving the factors that control the rates of long-distance electron transfer reactions in proteins. These factors include (in addition......-containing proteins. These proteins serve almost exclusively in electron transfer reactions, and as it turns out, their metal coordination sites are endowed with properties uniquely optimized for their function....

  12. Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.

    Science.gov (United States)

    Vikramaditya, Talapunur; Lin, Shiang-Tai

    2017-06-05

    Accurate determination of ionization potentials (IPs), electron affinities (EAs), fundamental gaps (FGs), and HOMO, LUMO energy levels of organic molecules play an important role in modeling and predicting the efficiencies of organic photovoltaics, OLEDs etc. In this work, we investigate the effects of Hartree Fock (HF) Exchange, correlation energy, and long range corrections in predicting IP and EA in Hybrid Functionals. We observe increase in percentage of HF exchange results in increase of IPs and decrease in EAs. Contrary to the general expectations inclusion of both HF exchange and correlation energy (from the second order perturbation theory MP2) leads to poor prediction. Range separated Hybrid Functionals are found to be more reliable among various DFT Functionals investigated. DFT Functionals predict accurate IPs whereas post HF methods predict accurate EAs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  13. Long range trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Allen, P. W.; Jessup, E. A.; White, R. E. [Air Resources Field Research Office, Las Vegas, Nevada (United States)

    1967-07-01

    A single air molecule can have a trajectory that can be described with a line, but most meteorologists use single lines to represent the trajectories of air parcels. A single line trajectory has the disadvantage that it is a categorical description of position. Like categorized forecasts it provides no qualification, and no provision for dispersion in case the parcel contains two or more molecules which may take vastly different paths. Diffusion technology has amply demonstrated that an initial aerosol cloud or volume of gas in the atmosphere not only grows larger, but sometimes divides into puffs, each having a different path or swath. Yet, the average meteorologist, faced with the problem of predicting the future motion of a cloud, usually falls back on the line trajectory approach with the explanation that he had no better tool for long range application. In his more rational moments, he may use some arbitrary device to spread his cloud with distance. One such technique has been to separate the trajectory into two or more trajectories, spaced about the endpoint of the original trajectory after a short period of travel, repeating this every so often like a chain reaction. This has the obvious disadvantage of involving a large amount of labor without much assurance of improved accuracy. Another approach is to draw a circle about the trajectory endpoint, to represent either diffusion or error. The problem then is to know what radius to give the circle and also whether to call it diffusion or error. Meteorologists at the Nevada Test Site (NTS) are asked frequently to provide advice which involves trajectory technology, such as prediction of an aerosol cloud path, reconstruction of the motion of a volume of air, indication of the dilution, and the possible trajectory prediction error over great distances. Therefore, we set out, nearly three years ago, to provide some statistical knowledge about the status of our trajectory technology. This report contains some of the

  14. Transient Exciplex Formation Electron Transfer Mechanism

    Directory of Open Access Journals (Sweden)

    Michael G. Kuzmin

    2011-01-01

    Full Text Available Transient exciplex formation mechanism of excited-state electron transfer reactions is analyzed in terms of experimental data on thermodynamics and kinetics of exciplex formation and decay. Experimental profiles of free energy, enthalpy, and entropy for transient exciplex formation and decay are considered for several electron transfer reactions in various solvents. Strong electronic coupling in contact pairs of reactants causes substantial decrease of activation energy relative to that for conventional long-range ET mechanism, especially for endergonic reactions, and provides the possibility for medium reorganization concatenated to gradual charge shift in contrast to conventional preliminary medium and reactants reorganization. Experimental criteria for transient exciplex formation (concatenated mechanism of excited-state electron transfer are considered. Available experimental data show that this mechanism dominates for endergonic ET reactions and provides a natural explanation for a lot of known paradoxes of ET reactions.

  15. Long-range spin deformations around quasiparticles

    International Nuclear Information System (INIS)

    Godfrey, M.; Gunn, M.

    1989-01-01

    The quasi-particle formed by a hole in a Heisenberg antiferromagnet has an associated long-range spin distortion whose amplitude increases with the velocity of the hole. The authors show that the existence and properties of this distortion follow from simple classical arguments based on the long-wavelength equations of motion for the spin system. A similar long-range distortion is found in the quantum-mechanical problem of an electron exchange coupled to a Heisenberg antiferromagnet

  16. Electron transfer to sulfides:

    International Nuclear Information System (INIS)

    Meneses, Ana Belen; Antonello, Sabrina; Arevalo, Maria Carmen; Maran, Flavio

    2005-01-01

    The problem of characterizing the steps associated with the dissociative reduction of sulfides has been addressed. The electrochemical reduction of diphenylmethyl para-methoxyphenyl sulfide in N,N-dimethylformamide, on both glassy carbon and mercury electrodes, was chosen as a test system. The electrode process involves the slow heterogeneous outer-sphere electron transfer to the sulfide, the fast cleavage of the C-S bond, the reduction of the ensuing carbon radical, and the self-protonation triggered by the generation of the strong base Ph 2 CH - . The latter reaction is rather slow, in agreement with the large intrinsic barriers characterizing proton transfers between CH-acids and carbon bases. The dissociative reduction was studied in the presence of an exogenous acid. The results, obtained by convolution analysis, point to a stepwise DET mechanism in which the ET step is accompanied by rather large reorganization energy. Similar results were obtained on both electrode materials. Analysis of the heterogeneous electron transfer and associated C-S bond cleavage indicate that the reduction of this and other sulfides lies between the stepwise dissociative electron transfers leading to the formation of stiff π* radical anions and those going through the intermediacy of loose σ* radical anions

  17. Nonadiabatic anharmonic electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, P. P. [Molecular Physics Research, 6547 Kristina Ursula Court, Falls Church, Virginia 22044 (United States)

    2013-03-28

    The effect of an inner sphere, local mode vibration on an electron transfer is modeled using the nonadiabatic transition probability (rate) expression together with both the anharmonic Morse and the harmonic oscillator potential. For an anharmonic inner sphere mode, a variational analysis uses harmonic oscillator basis functions to overcome the difficulties evaluating Morse-model Franck-Condon overlap factors. Individual matrix elements are computed with the use of new, fast, robust, and flexible recurrence relations. The analysis therefore readily addresses changes in frequency and/or displacement of oscillator minimums in the different electron transfer states. Direct summation of the individual Boltzmann weighted Franck-Condon contributions avoids the limitations inherent in the use of the familiar high-temperature, Gaussian form of the rate constant. The effect of harmonic versus anharmonic inner sphere modes on the electron transfer is readily seen, especially in the exoergic, inverted region. The behavior of the transition probability can also be displayed as a surface for all temperatures and values of the driving force/exoergicity {Delta}=-{Delta}G. The temperature insensitivity of the transfer rate is clearly seen when the exoergicity equals the collective reorganization energy ({Delta}={Lambda}{sub s}) along a maximum ln (w) vs. {Delta} ridge of the surface. The surface also reveals additional regions for {Delta} where ln (w) appears to be insensitive to temperature, or effectively activationless, for some kinds of inner sphere contributions.

  18. Long-range terms in atomic collisions

    International Nuclear Information System (INIS)

    McGuire, J.H.; Weaver, O.L.

    1986-01-01

    Various separations, or ''gauge choices,'' are possible for the decomposition of the total Hamiltonian into electronic and internuclear terms. We show that, for one particular choice, all long-range Coulomb terms are associated with the internuclear motion. The potential then associated with electronic transitions is non-Coulombic. Some practical consequences of this gauge choice are discussed

  19. Long-range alpha detector

    International Nuclear Information System (INIS)

    MacArthur, D.W.; McAtee, J.L.

    1991-01-01

    Historically, alpha-particle and alpha-contamination detectors have been limited by the very short range of alpha particles in air and by relatively poor sensitivity even if the particles are intercepted. Alpha detectors have had to be operated in a vacuum or in close proximity to the source if reasonable efficiency is desired. Alpha particles interact with the ambient air, producing ionization in the air at the rate of ∼30,000 ion pairs per mega-electron-volt of alpha energy. These charges can be transported over significant distances (several meters) in a moving current of air generated by a small fan. An ion chamber located in front of the fan measures the current carried by the moving ions. The long-range alpha detector (LRAD) offers several advantages over more traditional alpha detectors. First and foremost, it can operate efficiently even if the contamination is not easily accessible. Second, ions generated by contamination in crevices and other unmonitorable locations can be detected if the airflow penetrates those areas. Third, all of the contamination on a large surface will generate ions that can be detected in a single detector; hence, the detector's sensitivity to distributed sources is not limited by the size of the probe. Finally, a simple ion chamber can detect very small electric currents, making this technique potentially quite sensitive

  20. Advances in electron transfer chemistry

    CERN Document Server

    Mariano, Patrick S

    1993-01-01

    Advances in Electron Transfer Chemistry, Volume 3 presents studies that discuss findings in the various aspects of electron chemistry. The book is comprised of four chapters; each chapter reviews a work that tackles an issue in electron transfer chemistry. Chapter 1 discusses the photoinduced electron transfer in flexible biaryl donor-acceptor molecules. Chapter 2 tackles light-induced electron transfer in inorganic systems in homogeneous and heterogeneous phases. The book also covers internal geometry relaxation effects on electron transfer rates of amino-centered systems. The sequential elec

  1. Long range correlations in condensed matter

    International Nuclear Information System (INIS)

    Bochicchio, R.C.

    1990-01-01

    Off diagonal long range order (ODLRO) correlations are strongly related with the generalized Bose-Einstein condensation. Under certain boundary conditions, one implies the other. These phenomena are of great importance in the description of quantum situations with a macroscopic manifestation (superfluidity, superconductivity, etc.). Since ion pairs are not bosons, the definition of ODLRO is modified. The information contained with the 2-particle propagator (electron pairs) and the consequences that lead to pairs statistics are shown in this presentation. The analogy between long range correlations and fluids is also analyzed. (Author). 17 refs

  2. Heteronuclear Long-Range Correlation

    DEFF Research Database (Denmark)

    Sørensen, Ole W.

    The lecture will cover heteronuclear long-range correlation techniques like HMBC, H2BC, and HAT HMBC with the emphasis on determining the number of covalent bonds between two spins being correlated. H2BC and HMBC spectra are quite complementary as a peak can be strong in one of the two spectra...

  3. Long Range Aircraft Trajectory Prediction

    OpenAIRE

    Magister, Tone

    2009-01-01

    The subject of the paper is the improvement of the aircraft future trajectory prediction accuracy for long-range airborne separation assurance. The strategic planning of safe aircraft flights and effective conflict avoidance tactics demand timely and accurate conflict detection based upon future four–dimensional airborne traffic situation prediction which is as accurate as each aircraft flight trajectory prediction. The improved kinematics model of aircraft relative flight considering flight ...

  4. Long range supergravity coupling strengths

    International Nuclear Information System (INIS)

    Kenyon, I.R.

    1991-01-01

    A limit of 2x10 -13 has recently been deduced for the fractional difference between the gravitational masses of the K 0 and anti K 0 mesons. This limit is applied here to put stringent limits on the strengths of the long range vector-scalar gravitational couplings envisaged in supergravity theories. A weaker limit is inferred from the general relativistic fit to the precession of the orbit of the pulsar PSR1913+16. (orig.)

  5. Rapidly solidified long-range-ordered alloys

    International Nuclear Information System (INIS)

    Lee, E.H.; Koch, C.C.; Liu, C.T.

    1981-01-01

    The influence of rapid solidification processing on the microstructure of long-range-ordered alloys in the (Fe, Co, Ni) 3 V system has been studied by transmission electron microscopy. The main microstructural feature of the as-quenched alloys was a fine cell structure (approx. 300 nm diameter) decorated with carbide particles. This structure was maintained aftr annealing treatments which develop the ordered crystal structure. Other features of the microstructures both before and after annealing are presented and discussed. 6 figures

  6. Long-range correlated percolation

    International Nuclear Information System (INIS)

    Weinrib, A.

    1984-01-01

    This paper is a study of the percolation problem with long-range correlations in the site or bond occupations. An extension of the Harris criterion for the relevance of the correlations is derived for the case that the correlations decay as x/sup -a/ for large distances x. For a d the correlations are relevant if dν-2<0. Applying this criterion to the behavior that results when the correlations are relevant, we argue that the new behavior will have ν/sub long/ = 2/a. It is shown that the correlated bond percolation problem is equivalent to a q-state Potts model with quenched disorder in the limit q→1. With the use of this result, a renormalization-group study of the problem is presented, expanding in epsilon = 6-d and in delta = 4-a. In addition to the normal percolation fixed point, we find a new long-range fixed point. The crossover to this new fixed point follows the extended Harris criterion, and the fixed point has exponents ν/sub long/ = 2/a (as predicted) and eta/sub long/ = (1/11)(delta-epsilon). Finally, several results on the percolation properties of the Ising model at its critical point are shown to be in agreement with the predictions of this paper

  7. Long-Range Neutron Detection

    International Nuclear Information System (INIS)

    Peurrung, A.J.; Stromswold, D.C.; Hansen, R.R.; Reeder, P.L.; Barnett, D.S.

    1999-01-01

    A neutron detector designed for detecting neutron sources at distances of 50 to 100 m has been constructed and tested. This detector has a large surface area (1 m 2 ) to enhance detection efficiency, and it contains a collimator and shielding to achieve direction sensitivity and reduce background. An unusual feature of the detector is that it contains no added moderator, such as polyethylene, to moderate fast neutrons before they reach the 3 He detector. As a result, the detector is sensitive mainly to thermal neutrons. The moderator-free design reduces the weight of the detector, making it more portable, and it also aids in achieving directional sensitivity and background reduction. Test results show that moderated fission-neutron sources of strength about 3 x 10 5 n/s can be detected at a distance out to 70 m in a counting time of 1000 s. The best angular resolution of the detector is obtained at distances of 30 m or less. As the separation .distance between the source and detector increases, the contribution of scattered neutrons to the measured signal increases with a resultant decrease in the ability to detect the direction to a distant source. Applications for which the long-range detector appears to be suitable include detecting remote neutron sources (including sources in moving vehicles) and monitoring neutron storage vaults for the intrusion of humans and the effects they make on the detected neutron signal. Also, the detector can be used to measure waste for the presence of transuranic material in the presence of high gamma-ray background. A test with a neutron source (3 x 10 5 n/s) in a vehicle showed that the detector could readily measure an increase in count rate at a distance of 10 m for vehicle speeds up to 35 mph (the highest speed tested). These results. indicate that the source should be detectable at this distance at speeds up to 55 mph

  8. Advances in electron transfer chemistry

    CERN Document Server

    Mariano, Patrick S

    1995-01-01

    Advances in Electron Transfer Chemistry, Volume 4 presents the reaction mechanisms involving the movement of single electrons. This book discusses the electron transfer reactions in organic, biochemical, organometallic, and excited state systems. Organized into four chapters, this volume begins with an overview of the photochemical behavior of two classes of sulfonium salt derivatives. This text then examines the parameters that control the efficiencies for radical ion pair formation. Other chapters consider the progress in the development of parameters that control the dynamics and reaction p

  9. Two-Electron Transfer Pathways.

    Science.gov (United States)

    Lin, Jiaxing; Balamurugan, D; Zhang, Peng; Skourtis, Spiros S; Beratan, David N

    2015-06-18

    The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through high barriers, where the probability for thermal population of oxidized or reduced bridge-localized states is very small, the electrons will tunnel from the donor (D) to acceptor (A), facilitated by bridge-mediated superexchange interactions. If the stable donor and acceptor redox states on D and A differ by two electrons, it is possible that the electrons will propagate coherently from D to A. While structure-function relations for single-electron superexchange in molecules are well established, strategies to manipulate the coherent flow of multiple electrons are largely unknown. In contrast to one-electron superexchange, two-electron superexchange involves both one- and two-electron virtual intermediate states, the number of virtual intermediates increases very rapidly with system size, and multiple classes of pathways interfere with one another. In the study described here, we developed simple superexchange models for two-electron transfer. We explored how the bridge structure and energetics influence multielectron superexchange, and we compared two-electron superexchange interactions to single-electron superexchange. Multielectron superexchange introduces interference between singly and doubly oxidized (or reduced) bridge virtual states, so that even simple linear donor-bridge-acceptor systems have pathway topologies that resemble those seen for one-electron superexchange through bridges with multiple parallel pathways. The simple model systems studied here exhibit a richness that is amenable to experimental exploration by manipulating the multiple pathways, pathway crosstalk, and changes in the number of donor and acceptor species. The features that emerge from these studies may assist in developing new strategies to deliver multiple

  10. 75 FR 9120 - Electronic Fund Transfers

    Science.gov (United States)

    2010-03-01

    ... FEDERAL RESERVE SYSTEM 12 CFR Part 205 [Regulation E; Docket No. R-1343] Electronic Fund Transfers... implements the Electronic Fund Transfer Act, and the official staff commentary to the regulation. The final..., the Board adopted a final rule under Regulation E, which implements the Electronic Fund Transfer Act...

  11. Long range position and Orientation Tracking System

    International Nuclear Information System (INIS)

    Armstrong, G.A.; Jansen, J.F.; Burks, B.L.

    1996-01-01

    The long range Position and Orientation Tracking System is an active triangulation-based system that is being developed to track a target to a resolution of 6.35 mm (0.25 in.) and 0.009 degrees(32.4 arcseconds) over a range of 13.72 m (45 ft.). The system update rate is currently set at 20 Hz but can be increased to 100 Hz or more. The tracking is accomplished by sweeping two pairs of orthogonal line lasers over infrared (IR) sensors spaced with known geometry with respect to one another on the target (the target being a rigid body attached to either a remote vehicle or a remote manipulator arm). The synchronization and data acquisition electronics correlates the time that an IR sensor has been hit by one of the four lasers and the angle of the respective mirror at the time of the hit. This information is combined with the known geometry of the IR sensors on the target to determine position and orientation of the target. This method has the advantage of allowing the target to be momentarily lost due to occlusions and then reacquired without having to return the target to a known reference point. The system also contains a camera with operator controlled lighting in each pod that allows the target to be continuously viewed from either pod, assuming their are no occlusions

  12. Long-Range WindScanner System

    DEFF Research Database (Denmark)

    Vasiljevic, Nikola; Lea, Guillaume; Courtney, Michael

    2016-01-01

    The technical aspects of a multi-Doppler LiDAR instrument, the long-range WindScanner system, are presented accompanied by an overview of the results from several field campaigns. The long-range WindScanner system consists of three spatially-separated, scanning coherent Doppler LiDARs and a remote......-rangeWindScanner system measures the wind field by emitting and directing three laser beams to intersect, and then scanning the beam intersection over a region of interest. The long-range WindScanner system was developed to tackle the need for high-quality observations of wind fields on scales of modern wind turbine...

  13. Long range diffusion of hydrogen in yttrium

    International Nuclear Information System (INIS)

    Anderson, I.S.; Scherrer, P.; Ross, D.K.

    1989-01-01

    The diffusion of H in single crystals of YH 0.2 is investigated by means of Quasielastic neutron scattering between 593 K and 695 K. Individual jump rates giving rise to long range and local diffusion are determined. (orig.)

  14. Exocellular electron transfer in anaerobic microbial communities

    NARCIS (Netherlands)

    Stams, A.J.M.; Bok, de F.A.M.; Plugge, C.M.; Eekert, van M.H.A.; Dolfing, J.; Schraa, G.

    2006-01-01

    Exocellular electron transfer plays an important role in anaerobic microbial communities that degrade organic matter. Interspecies hydrogen transfer between microorganisms is the driving force for complete biodegradation in methanogenic environments. Many organic compounds are degraded by obligatory

  15. Long range forces and limits on unparticle interactions

    International Nuclear Information System (INIS)

    Deshpande, N.G.; Hsu, Stephen D.H.; Jiang Jing

    2008-01-01

    Couplings between standard model particles and unparticles from a nontrivial scale invariant sector can lead to long range forces. If the forces couple to quantities such as baryon or lepton (electron) number, stringent limits result from tests of the gravitational inverse square law. These limits are much stronger than from collider phenomenology and astrophysics

  16. Passive long range acousto-optic sensor

    Science.gov (United States)

    Slater, Dan

    2006-08-01

    Alexander Graham Bell's photophone of 1880 was a simple free space optical communication device that used the sun to illuminate a reflective acoustic diaphragm. A selenium photocell located 213 m (700 ft) away converted the acoustically modulated light beam back into sound. A variation of the photophone is presented here that uses naturally formed free space acousto-optic communications links to provide passive multichannel long range acoustic sensing. This system, called RAS (remote acoustic sensor), functions as a long range microphone with a demonstrated range in excess of 40 km (25 miles).

  17. Hierarchical control of electron-transfer

    DEFF Research Database (Denmark)

    Westerhoff, Hans V.; Jensen, Peter Ruhdal; Egger, Louis

    1997-01-01

    In this chapter the role of electron transfer in determining the behaviour of the ATP synthesising enzyme in E. coli is analysed. It is concluded that the latter enzyme lacks control because of special properties of the electron transfer components. These properties range from absence of a strong...... back pressure by the protonmotive force on the rate of electron transfer to hierarchical regulation of the expression of the gens that encode the electron transfer proteins as a response to changes in the bioenergetic properties of the cell.The discussion uses Hierarchical Control Analysis...

  18. Describing long-range charge-separation processes with subsystem density-functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Solovyeva, Alisa; Neugebauer, Johannes, E-mail: j.neugebauer@uni-muenster.de [Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Simulation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster (Germany); Pavanello, Michele, E-mail: m.pavanello@rutgers.edu [Department of Chemistry, Rutgers University, 73 Warren St., Newark, New Jersey 07102 (United States)

    2014-04-28

    Long-range charge-transfer processes in extended systems are difficult to describe with quantum chemical methods. In particular, cost-effective (non-hybrid) approximations within time-dependent density functional theory (DFT) are not applicable unless special precautions are taken. Here, we show that the efficient subsystem DFT can be employed as a constrained DFT variant to describe the energetics of long-range charge-separation processes. A formal analysis of the energy components in subsystem DFT for such excitation energies is presented, which demonstrates that both the distance dependence and the long-range limit are correctly described. In addition, electronic couplings for these processes as needed for rate constants in Marcus theory can be obtained from this method. It is shown that the electronic structure of charge-separated states constructed by a positively charged subsystem interacting with a negatively charged one is difficult to converge — charge leaking from the negative subsystem to the positive one can occur. This problem is related to the delocalization error in DFT and can be overcome with asymptotically correct exchange–correlation (XC) potentials or XC potentials including a sufficiently large amount of exact exchange. We also outline an approximate way to obtain charge-transfer couplings between locally excited and charge-separated states.

  19. Describing long-range charge-separation processes with subsystem density-functional theory

    International Nuclear Information System (INIS)

    Solovyeva, Alisa; Neugebauer, Johannes; Pavanello, Michele

    2014-01-01

    Long-range charge-transfer processes in extended systems are difficult to describe with quantum chemical methods. In particular, cost-effective (non-hybrid) approximations within time-dependent density functional theory (DFT) are not applicable unless special precautions are taken. Here, we show that the efficient subsystem DFT can be employed as a constrained DFT variant to describe the energetics of long-range charge-separation processes. A formal analysis of the energy components in subsystem DFT for such excitation energies is presented, which demonstrates that both the distance dependence and the long-range limit are correctly described. In addition, electronic couplings for these processes as needed for rate constants in Marcus theory can be obtained from this method. It is shown that the electronic structure of charge-separated states constructed by a positively charged subsystem interacting with a negatively charged one is difficult to converge — charge leaking from the negative subsystem to the positive one can occur. This problem is related to the delocalization error in DFT and can be overcome with asymptotically correct exchange–correlation (XC) potentials or XC potentials including a sufficiently large amount of exact exchange. We also outline an approximate way to obtain charge-transfer couplings between locally excited and charge-separated states

  20. Resources and Long-Range Forecasts

    Science.gov (United States)

    Smith, Waldo E.

    1973-01-01

    The author argues that forecasts of quick depletion of resources in the environment as a result of overpopulation and increased usage may not be free from error. Ignorance still exists in understanding the recovery mechanisms of nature. Long-range forecasts are likely to be wrong in such situations. (PS)

  1. Look Ahead: Long-Range Learning Plans

    Science.gov (United States)

    Weinstein, Margery

    2010-01-01

    Faced with an unsteady economy and fluctuating learning needs, planning a learning strategy designed to last longer than the next six months can be a tall order. But a long-range learning plan can provide a road map for success. In this article, four companies (KPMG LLP, CarMax, DPR Construction, and EMC Corp.) describe their learning plans, and…

  2. Long range diffusion of hydrogen in yttrium

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, I S; Scherrer, P [Paul Scherrer Inst., Villigen (Switzerland); Ross, D K [Birmingham Univ. (UK). Dept. of Physics; Bonnet, J E [Laboratoire pour l' Utilisation du Rayonnement Electromagnetique (LURE), Paris-11 Univ., 91 - Orsay (France)

    1989-01-01

    The diffusion of H in single crystals of YH{sub 0.2} is investigated by means of Quasielastic neutron scattering between 593 K and 695 K. Individual jump rates giving rise to long range and local diffusion are determined. (orig.).

  3. Tunneling induced electron transfer between separated protons

    Science.gov (United States)

    Vindel-Zandbergen, Patricia; Meier, Christoph; Sola, Ignacio R.

    2018-04-01

    We study electron transfer between two separated protons using local control theory. In this symmetric system one can favour a slow transfer by biasing the algorithm, achieving high efficiencies for fixed nuclei. The solution can be parametrized using a sequence of a pump followed by a dump pulse that lead to tunneling-induced electron transfer. Finally, we study the effect of the nuclear kinetic energy on the efficiency. Even in the absence of relative motion between the protons, the spreading of the nuclear wave function is enough to reduce the yield of electronic transfer to less than one half.

  4. Exocellular electron transfer in anaerobic microbial communities.

    Science.gov (United States)

    Stams, Alfons J M; de Bok, Frank A M; Plugge, Caroline M; van Eekert, Miriam H A; Dolfing, Jan; Schraa, Gosse

    2006-03-01

    Exocellular electron transfer plays an important role in anaerobic microbial communities that degrade organic matter. Interspecies hydrogen transfer between microorganisms is the driving force for complete biodegradation in methanogenic environments. Many organic compounds are degraded by obligatory syntrophic consortia of proton-reducing acetogenic bacteria and hydrogen-consuming methanogenic archaea. Anaerobic microorganisms that use insoluble electron acceptors for growth, such as iron- and manganese-oxide as well as inert graphite electrodes in microbial fuel cells, also transfer electrons exocellularly. Soluble compounds, like humic substances, quinones, phenazines and riboflavin, can function as exocellular electron mediators enhancing this type of anaerobic respiration. However, direct electron transfer by cell-cell contact is important as well. This review addresses the mechanisms of exocellular electron transfer in anaerobic microbial communities. There are fundamental differences but also similarities between electron transfer to another microorganism or to an insoluble electron acceptor. The physical separation of the electron donor and electron acceptor metabolism allows energy conservation in compounds as methane and hydrogen or as electricity. Furthermore, this separation is essential in the donation or acceptance of electrons in some environmental technological processes, e.g. soil remediation, wastewater purification and corrosion.

  5. Long-range correlations from colour confinement

    International Nuclear Information System (INIS)

    Jurkiewicz, J.; Zenczykowski, P.

    1979-01-01

    A class of independent parton emission models is generalized by the introduction of the colour degrees of freedom. In the proposed models colour confinement extorts strong long-range forward-backward correlations, the rise of one-particle inclusive distribution and the KNO scaling. It leads to the analytically calculable definite asymptotic predictions for the D/ ratio which depends only on the choice of the colour group. Multiplicity distribution develops a remarkably long tail. (author)

  6. Gauge hierarchy and long range forces

    International Nuclear Information System (INIS)

    Pal, P.B.; Keung, Wai-Yee; Chang, D.

    1990-01-01

    With the aid of simple examples, we show how a long range attractive force can arise in a gauge theory with a hierarchy. The force is due to the exchange of a Higgs boson whose mass and matter couplings are both naturally suppressed by the hierarchical mass ratio. Such bosons appear if there is an accidental global symmetry in the low-energy renormalizable Lagrangian after the high energy symmetry breaking. 6 refs

  7. Long-range interaction between spins

    International Nuclear Information System (INIS)

    Naik, P.C.; Pradhan, T.

    1981-01-01

    It is shown that invariance of Lagrangian field theory under a class of the coordinate-dependent Lorentz group of transformations requires the introduction of a massless axial vector gauge field which gives rise to a super-weak long-range spin-spin force between particles in vacuum. Recent experiments demonstrating repulsion and attraction between circularly polarised laser beams are interpreted to be due to such a force enhanced by spin polarisation of sodium vapour, through which these beams pass. (author)

  8. Long-range forecasting of intermittent streamflow

    OpenAIRE

    F. F. van Ogtrop; R. W. Vervoort; G. Z. Heller; D. M. Stasinopoulos; R. A. Rigby

    2011-01-01

    Long-range forecasting of intermittent streamflow in semi-arid Australia poses a number of major challenges. One of the challenges relates to modelling zero, skewed, non-stationary, and non-linear data. To address this, a statistical model to forecast streamflow up to 12 months ahead is applied to five semi-arid catchments in South Western Queensland. The model uses logistic regression through Generalised Additive Models for Location, Scale and Shape (GAMLSS) to determine th...

  9. Long-range forecasting of intermittent streamflow

    OpenAIRE

    F. F. van Ogtrop; R. W. Vervoort; G. Z. Heller; D. M. Stasinopoulos; R. A. Rigby

    2011-01-01

    Long-range forecasting of intermittent streamflow in semi-arid Australia poses a number of major challenges. One of the challenges relates to modelling zero, skewed, non-stationary, and non-linear data. To address this, a probabilistic statistical model to forecast streamflow 12 months ahead is applied to five semi-arid catchments in South Western Queensland. The model uses logistic regression through Generalised Additive Models for Location, Scale and Shape (GAMLSS) to determine the probabil...

  10. Imaging using long range dipolar field effects

    International Nuclear Information System (INIS)

    Gutteridge, Sarah

    2002-01-01

    The work in this thesis has been undertaken by the author, except where indicated in reference, within the Magnetic Resonance Centre, at the University of Nottingham during the period from October 1998 to March 2001. This thesis details the different characteristics of the long range dipolar field and its application to magnetic resonance imaging. The long range dipolar field is usually neglected in nuclear magnetic resonance experiments, as molecular tumbling decouples its effect at short distances. However, in highly polarised samples residual long range components have a significant effect on the evolution of the magnetisation, giving rise to multiple spin echoes and unexpected quantum coherences. Three applications utilising these dipolar field effects are documented in this thesis. The first demonstrates the spatial sensitivity of the signal generated via dipolar field effects in structured liquid state samples. The second utilises the signal produced by the dipolar field to create proton spin density maps. These maps directly yield an absolute value for the water content of the sample that is unaffected by relaxation and any RF inhomogeneity or calibration errors in the radio frequency pulses applied. It has also been suggested that the signal generated by dipolar field effects may provide novel contrast in functional magnetic resonance imaging. In the third application, the effects of microscopic susceptibility variation on the signal are studied and the relaxation rate of the signal is compared to that of a conventional spin echo. (author)

  11. Transient Exciplex Formation Electron Transfer Mechanism

    OpenAIRE

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

    2011-01-01

    Transient exciplex formation mechanism of excited-state electron transfer reactions is analyzed in terms of experimental data on thermodynamics and kinetics of exciplex formation and decay. Experimental profiles of free energy, enthalpy, and entropy for transient exciplex formation and decay are considered for several electron transfer reactions in various solvents. Strong electronic coupling in contact pairs of reactants causes substantial decrease of activation energy relative to that for c...

  12. Electron-electron Thomas peak in fast transfer ionization

    International Nuclear Information System (INIS)

    Tolmanov, S. G.; McGuire, J. H.

    2000-01-01

    ''Thomas process'' is a name used for a family of singular two-step processes that can lead to electron transfer. The Thomas process of the ''second kind,'' occurring in reactions with both transfer and ionization, utilizes the e-e scattering in the second step, so this Thomas process requires the dynamics of the electron-electron interaction. We calculate numerically the second order element of an S matrix and corresponding cross sections for the transfer ionization process. We find that the position and shape of the Thomas peak depend on both electron-electron and the electron-nucleus interaction. Also the direct and exchange amplitudes are equal at the peak position. We test the peaking approximation used for transfer ionization. Our results can be compared to experimental results for p + +He→H+He 2+ +e - . (c) 2000 The American Physical Society

  13. Long-range order in canary song.

    Science.gov (United States)

    Markowitz, Jeffrey E; Ivie, Elizabeth; Kligler, Laura; Gardner, Timothy J

    2013-01-01

    Bird songs range in form from the simple notes of a Chipping Sparrow to the rich performance of the nightingale. Non-adjacent correlations can be found in the syntax of some birdsongs, indicating that the choice of what to sing next is determined not only by the current syllable, but also by previous syllables sung. Here we examine the song of the domesticated canary, a complex singer whose song consists of syllables, grouped into phrases that are arranged in flexible sequences. Phrases are defined by a fundamental time-scale that is independent of the underlying syllable duration. We show that the ordering of phrases is governed by long-range rules: the choice of what phrase to sing next in a given context depends on the history of the song, and for some syllables, highly specific rules produce correlations in song over timescales of up to ten seconds. The neural basis of these long-range correlations may provide insight into how complex behaviors are assembled from more elementary, stereotyped modules.

  14. Nuclear reorganization barriers to electron transfer

    International Nuclear Information System (INIS)

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

    1988-01-01

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

  15. Advances in electron transfer chemistry, v.6

    CERN Document Server

    Mariano, PS

    1999-01-01

    It is clear that electron transfer chemisty is now one of the most active areas of chemical study. Advances in Electron Transfer Chemistry has been designed to allow scientists who are developing new knowledge in this rapidly expanding area to describe their most recent research findings. This volume will serve those interested in learning about current breakthroughs in this rapidly expanding area of chemical research.

  16. Long-range alpha detector (LRAD)

    International Nuclear Information System (INIS)

    MacArthur, D.W.; McAtee, J.L.

    1991-01-01

    Historically, alpha detectors have been limited by the very short range of alpha particles in air and by relatively poor sensitivity, even if the particles are intercepted. Of necessity, these detectors are operated in a vacuum or in close proximity to the source if reasonable efficiency is desired. In our new long-range alpha detector (LRAD), alpha particles interact with the ambient air, producing ionization in the air at the rate of about 30,000 ion pairs per MeV of alpha energy. These charges can be transported over significant distances (several meters) in a moving current of air generated by a small fan. An ion chamber located in front of the fan measures the current carried by the moving ions. The LRAD-based monitor is more sensitive and more thorough than conventional monitors. We present current LRAD sensitivity limits and results, practical monitor designs, and proposed uses for LRAD monitors. 4 refs., 7 figs

  17. Long-range interaction of anisotropic systems

    KAUST Repository

    Zhang, Junyi

    2015-02-01

    The first-order electrostatic interaction energy between two far-apart anisotropic atoms depends not only on the distance between them but also on their relative orientation, according to Rayleigh-Schrödinger perturbation theory. Using the first-order interaction energy and the continuum model, we study the long-range interaction between a pair of parallel pristine graphene sheets at zero temperature. The asymptotic form of the obtained potential density, &epsi:(D) &prop: ?D ?3 ?O(D?4), is consistent with the random phase approximation and Lifshitz theory. Accordingly, neglectance of the anisotropy, especially the nonzero first-order interaction energy, is the reason why the widely used Lennard-Jones potential approach and dispersion corrections in density functional theory give a wrong asymptotic form ε(D) &prop: ?D?4. © EPLA, 2015.

  18. Long-range interaction of anisotropic systems

    KAUST Repository

    Zhang, Junyi; Schwingenschlö gl, Udo

    2015-01-01

    The first-order electrostatic interaction energy between two far-apart anisotropic atoms depends not only on the distance between them but also on their relative orientation, according to Rayleigh-Schrödinger perturbation theory. Using the first-order interaction energy and the continuum model, we study the long-range interaction between a pair of parallel pristine graphene sheets at zero temperature. The asymptotic form of the obtained potential density, &epsi:(D) &prop: ?D ?3 ?O(D?4), is consistent with the random phase approximation and Lifshitz theory. Accordingly, neglectance of the anisotropy, especially the nonzero first-order interaction energy, is the reason why the widely used Lennard-Jones potential approach and dispersion corrections in density functional theory give a wrong asymptotic form ε(D) &prop: ?D?4. © EPLA, 2015.

  19. Efficient Long-Range Hole Transport Through G-Quadruplexes.

    Science.gov (United States)

    Wu, Jingyuan; Meng, Zhenyu; Lu, Yunpeng; Shao, Fangwei

    2017-10-09

    DNA offers a means of long-range charge transport for biology and electric nanodevices. Here, a series of tetra-stranded G-quadruplexes were assembled within a dendritic DNA architecture to explore oxidative charge transport (hole transport) through the G-quadruplex. Efficient charge transport was achieved over 28 Å upon UV irradiation. Over a longer G-quadruplex bridge, hole transport was escalated to a higher efficiency, which resulted in a higher yield than that of the optimal duplex DNA for charge transport, that is, the adenine tract. Efficient long-range hole transport suggests tetra-stranded G-quadruplexes, instead of an oxidation hotspot, hold better potential as an electron conduit than duplex DNA. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Single-Molecule Interfacial Electron Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Lu, H. Peter [Bowling Green State Univ., Bowling Green, OH (United States). Dept. of Chemistry and Center for Photochemical Sciences

    2017-11-28

    This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static and dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO2 and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO2 nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO2 nanoparticle surfaces by using ultrafast single

  1. Single Molecule Spectroscopy of Electron Transfer

    International Nuclear Information System (INIS)

    Holman, Michael; Zang, Ling; Liu, Ruchuan; Adams, David M.

    2009-01-01

    The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

  2. Stochastic processes and long range dependence

    CERN Document Server

    Samorodnitsky, Gennady

    2016-01-01

    This monograph is a gateway for researchers and graduate students to explore the profound, yet subtle, world of long-range dependence (also known as long memory). The text is organized around the probabilistic properties of stationary processes that are important for determining the presence or absence of long memory. The first few chapters serve as an overview of the general theory of stochastic processes which gives the reader sufficient background, language, and models for the subsequent discussion of long memory. The later chapters devoted to long memory begin with an introduction to the subject along with a brief history of its development, followed by a presentation of what is currently the best known approach, applicable to stationary processes with a finite second moment. The book concludes with a chapter devoted to the author’s own, less standard, point of view of long memory as a phase transition, and even includes some novel results. Most of the material in the book has not previously been publis...

  3. Long-range Rocky Flats utilization study

    International Nuclear Information System (INIS)

    1983-02-01

    The purpose of this Study was to provide information concerning the Rocky Flats Plant and its operations that will be useful to the Nation's decision-makers in determining the long-range future of the Plant. This Study was conducted under the premise that national defense policy must be supported and, accordingly, the capabilities at Rocky Flats must be maintained there or at some other location(s). The Study, therefore, makes no attempt to speculate on how possible future changes in national defense policy might affect decisions regarding the utilization of Rocky Flats. Factors pertinent to decisions regarding Rocky Flats, which are included in the Study, are: physical condition of the Plant and its vulnerabilities to natural phenomena; risks associated with plutonium to Plant workers and the public posed by postulated natural phenomena and operational accidents; identification of alternative actions regarding the future use of the Rocky Flats Plant with associated costs and time scales; local socioeconomic impacts if Rocky Flats operations were relocated; and potential for other uses if Rocky Flats facilities were vacated. The results of the tasks performed in support of this Study are summarized in the context of these five factors

  4. Long range position and orientation tracking system

    International Nuclear Information System (INIS)

    Armstrong, G.A.; Jansen, J.F.; Burks, B.L.; Bernacki, B.E.; Nypaver, D.J.

    1995-01-01

    The long range position and orientation tracking system (LRPOTS) will consist of two measurement pods, a VME-based computer system, and a detector array. The system is used to measure the position and orientation of a target that may be attached to a robotic arm, teleoperated manipulator, or autonomous vehicle. The pods have been designed to be mounted in the man-ways of the domes of the Fernald K-65 waste silos. Each pod has two laser scanner subsystems as well as lights and camera systems. One of the laser scanners will be oriented to scan in the pan direction, the other in the tilt direction. As the lasers scan across the detector array, the angles of incidence with each detector are recorded. Combining measurements from each of the four lasers yields sufficient data for a closed-form solution of the transform describing the location and orientation of the Content Mobilization System (CMS). Redundant detectors will be placed on the CMS to accommodate occlusions, to provide improved measurement accuracy, and to determine the CMS orientation

  5. Long-range forecasting of intermittent streamflow

    Science.gov (United States)

    van Ogtrop, F. F.; Vervoort, R. W.; Heller, G. Z.; Stasinopoulos, D. M.; Rigby, R. A.

    2011-11-01

    Long-range forecasting of intermittent streamflow in semi-arid Australia poses a number of major challenges. One of the challenges relates to modelling zero, skewed, non-stationary, and non-linear data. To address this, a statistical model to forecast streamflow up to 12 months ahead is applied to five semi-arid catchments in South Western Queensland. The model uses logistic regression through Generalised Additive Models for Location, Scale and Shape (GAMLSS) to determine the probability of flow occurring in any of the systems. We then use the same regression framework in combination with a right-skewed distribution, the Box-Cox t distribution, to model the intensity (depth) of the non-zero streamflows. Time, seasonality and climate indices, describing the Pacific and Indian Ocean sea surface temperatures, are tested as covariates in the GAMLSS model to make probabilistic 6 and 12-month forecasts of the occurrence and intensity of streamflow. The output reveals that in the study region the occurrence and variability of flow is driven by sea surface temperatures and therefore forecasts can be made with some skill.

  6. Long-range forecasting of intermittent streamflow

    Directory of Open Access Journals (Sweden)

    F. F. van Ogtrop

    2011-11-01

    Full Text Available Long-range forecasting of intermittent streamflow in semi-arid Australia poses a number of major challenges. One of the challenges relates to modelling zero, skewed, non-stationary, and non-linear data. To address this, a statistical model to forecast streamflow up to 12 months ahead is applied to five semi-arid catchments in South Western Queensland. The model uses logistic regression through Generalised Additive Models for Location, Scale and Shape (GAMLSS to determine the probability of flow occurring in any of the systems. We then use the same regression framework in combination with a right-skewed distribution, the Box-Cox t distribution, to model the intensity (depth of the non-zero streamflows. Time, seasonality and climate indices, describing the Pacific and Indian Ocean sea surface temperatures, are tested as covariates in the GAMLSS model to make probabilistic 6 and 12-month forecasts of the occurrence and intensity of streamflow. The output reveals that in the study region the occurrence and variability of flow is driven by sea surface temperatures and therefore forecasts can be made with some skill.

  7. Williamsport Area Community College Long Range Planning: The Long Range Plan, Update 1987.

    Science.gov (United States)

    Williamsport Area Community Coll., PA.

    This update to Williamsport Area Community College's (WACC's) 1984-89 long-range plan offers a status report on each of the plan's 78 objectives, reassigns responsibility for specific objectives to make the plan responsive to the current organizational structure of the college, and offers 11 new objectives for the 1986-87 academic year. After…

  8. Legal Risk Associated with Electronic Funds Transfer

    OpenAIRE

    Abdulah, Samahir

    2014-01-01

    The past thirty years have seen rapid advances in the technological component of banking services and as a consequence new legal issues have come to the fore, especially with regard to Electronic Fund Transfers (EFTs) which are now used to transfer money around the world, and have made fund transactions between payers and payees easier, faster and more secure. The method involves risks for both banks and customers, due to the possibility of unauthorized payments risks, credit and insolvency p...

  9. Mott scattering as a probe of long range QCD

    International Nuclear Information System (INIS)

    Bertulani, C.A.; Balantekin, A.B.

    1993-12-01

    We investigate the possibility of using the Mott scattering between identical nuclei to assess the existence of long range QCD, e.g., a color Van der Waals interaction, as suggested recently. Among other effects which were not considered before, the tail of the nuclear potential, emission of radiation by Bremsstrahlung, atomic screening, emission of delta-electrons, and the quasi-molecule binding are included in our calculations. We show that the sum of these effects can explain the observed shift in the Mott oscillations in a recent experiment. (orig.)

  10. Facile Interfacial Electron Transfer of Hemoglobin

    Directory of Open Access Journals (Sweden)

    Chunhai Fan

    2005-12-01

    Full Text Available Abstract: We herein describe a method of depositing hemoglobin (Hb and sulfonated polyaniline (SPAN on GC electrodes that facilitate interfacial protein electron transfer. Well-defined, reproducible, chemically reversible peaks of Hb and SPAN can be obtained in our experiments. We also observed enhanced peroxidase activity of Hb in SPAN films. These results clearly showed that SPAN worked as molecular wires and effectively exchanged electrons between Hb and electrodes.Mediated by Conjugated Polymers

  11. The effect of driving force on intramolecular electron transfer in proteins. Studies on single-site mutated azurins

    DEFF Research Database (Denmark)

    Farver, O; Skov, L K; van de Kamp, M

    1992-01-01

    -6972]. To further investigate the nature of this long-range electron transfer (LRET) proceeding within the protein matrix, we have now investigated it in two azurins where amino acids have been substituted by single-site mutation of the wild-type Pseudomonas aeruginosa azurin. In one mutated protein, a methionine...... the reorganization energy, lambda and electronic coupling factor, beta. The calculated values fit very well with a through-bond LRET mechanism....

  12. Photoinduced Electron Transfer in Ordered Macromolecular Assemblies. Final report for May 1, 1988 - June 30, 2002

    Energy Technology Data Exchange (ETDEWEB)

    Jones, G.

    2005-02-11

    The final report describes studies over a 13 year period having to do with photoinduced electron transfer for active chromophores and redox agents, including assembly of the components in water soluble polymers or polypeptides. The findings include observation of long range charge separation and electron transport using laser phototransient spectroscopy. The systems targeted in these studies include peptide assemblies for which helical conformations and aggregation are documented. Oligomeric peptides modified with non-native redox active groups were also selected for investigation. Highly charged polymers or peptides were investigated as host agents that resemble proteins. The overall goal of these investigations focused on the design and characterization of systems capable of artificial photosynthesis.

  13. Elastic electron scattering at large momentum transfer

    International Nuclear Information System (INIS)

    Arnold, R.G.

    1979-05-01

    A review is given of elastic electron scattering at large momentum transfer (Q 2 > 20 fm -2 ) from nuclei with A less than or equal to 4. Recent experimental results are reviewed and the current problems in interpretation of these results are pointed out. Some questions for future experiments are posed, and a preview of possible future measurements is presented. 28 references

  14. Promoting interspecies electron transfer with biochar

    DEFF Research Database (Denmark)

    Chen, Shanshan; Rotaru, Amelia-Elena; Shrestha, Pravin Malla

    2014-01-01

    Biochar, a charcoal-like product of the incomplete combustion of organic materials, is an increasingly popular soil amendment designed to improve soil fertility. We investigated the possibility that biochar could promote direct interspecies electron transfer (DIET) in a manner similar...... biochar may enhance methane production from organic wastes under anaerobic conditions....

  15. Quantum effects in biological electron transfer

    Czech Academy of Sciences Publication Activity Database

    de la Lande, A.; Babcock, N. S.; Řezáč, Jan; Levy, B.; Sanders, B. C.; Salahub, D.

    2012-01-01

    Roč. 14, č. 17 (2012), s. 5902-5918 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z40550506 Keywords : electron transfer * tunnelling * decoherence * semi-classical molecular dynamics * density functional theory Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.829, year: 2012

  16. Defining Electron Bifurcation in the Electron-Transferring Flavoprotein Family.

    Science.gov (United States)

    Garcia Costas, Amaya M; Poudel, Saroj; Miller, Anne-Frances; Schut, Gerrit J; Ledbetter, Rhesa N; Fixen, Kathryn R; Seefeldt, Lance C; Adams, Michael W W; Harwood, Caroline S; Boyd, Eric S; Peters, John W

    2017-11-01

    Electron bifurcation is the coupling of exergonic and endergonic redox reactions to simultaneously generate (or utilize) low- and high-potential electrons. It is the third recognized form of energy conservation in biology and was recently described for select electron-transferring flavoproteins (Etfs). Etfs are flavin-containing heterodimers best known for donating electrons derived from fatty acid and amino acid oxidation to an electron transfer respiratory chain via Etf-quinone oxidoreductase. Canonical examples contain a flavin adenine dinucleotide (FAD) that is involved in electron transfer, as well as a non-redox-active AMP. However, Etfs demonstrated to bifurcate electrons contain a second FAD in place of the AMP. To expand our understanding of the functional variety and metabolic significance of Etfs and to identify amino acid sequence motifs that potentially enable electron bifurcation, we compiled 1,314 Etf protein sequences from genome sequence databases and subjected them to informatic and structural analyses. Etfs were identified in diverse archaea and bacteria, and they clustered into five distinct well-supported groups, based on their amino acid sequences. Gene neighborhood analyses indicated that these Etf group designations largely correspond to putative differences in functionality. Etfs with the demonstrated ability to bifurcate were found to form one group, suggesting that distinct conserved amino acid sequence motifs enable this capability. Indeed, structural modeling and sequence alignments revealed that identifying residues occur in the NADH- and FAD-binding regions of bifurcating Etfs. Collectively, a new classification scheme for Etf proteins that delineates putative bifurcating versus nonbifurcating members is presented and suggests that Etf-mediated bifurcation is associated with surprisingly diverse enzymes. IMPORTANCE Electron bifurcation has recently been recognized as an electron transfer mechanism used by microorganisms to maximize

  17. A long range plan for nuclear physics

    International Nuclear Information System (INIS)

    Morrison, G.C.

    1983-01-01

    The report is in two parts. The first part reviews the current understanding of nuclear physics and indicates areas of significant interest for future work. It briefly discusses the special contributions of nuclear physics in other sciences. The second part considers new facilities which would be particularly relevant to the future development of nuclear physics in the UK. The present position of UK nuclear physics with respect to the wider nuclear community is considered. In conclusion the report establishes priorities for UK nuclear physics and makes recommendations for future action for the provision of facilities and also for future funding and manpower levels. The working party seeks to build on the valuable base provided by the NSF and Oxford accelerators. The principal recommendation of the Working Party is that a new 600MeV continuous beam electron accelerator should be built at the Daresbury Laboratory. For higher energy heavy ion beams the Working Party suggests these should be sought at overseas laboratories. (author)

  18. Biotechnological Aspects of Microbial Extracellular Electron Transfer

    Science.gov (United States)

    Kato, Souichiro

    2015-01-01

    Extracellular electron transfer (EET) is a type of microbial respiration that enables electron transfer between microbial cells and extracellular solid materials, including naturally-occurring metal compounds and artificial electrodes. Microorganisms harboring EET abilities have received considerable attention for their various biotechnological applications, in addition to their contribution to global energy and material cycles. In this review, current knowledge on microbial EET and its application to diverse biotechnologies, including the bioremediation of toxic metals, recovery of useful metals, biocorrosion, and microbial electrochemical systems (microbial fuel cells and microbial electrosynthesis), were introduced. Two potential biotechnologies based on microbial EET, namely the electrochemical control of microbial metabolism and electrochemical stimulation of microbial symbiotic reactions (electric syntrophy), were also discussed. PMID:26004795

  19. Dynamics in electron transfer protein complexes

    OpenAIRE

    Bashir, Qamar

    2010-01-01

    Recent studies have provided experimental evidence for the existence of an encounter complex, a transient intermediate in the formation of protein complexes. We have used paramagnetic relaxation enhancement NMR spectroscopy in combination with Monte Carlo simulations to characterize and visualize the ensemble of encounter orientations in the short-lived electron transfer complex of yeast Cc and CcP. The complete conformational space sampled by the protein molecules during the dynamic part of ...

  20. Continuous limit of discrete systems with long-range interaction

    International Nuclear Information System (INIS)

    Tarasov, Vasily E

    2006-01-01

    Discrete systems with long-range interactions are considered. Continuous medium models as continuous limit of discrete chain system are defined. Long-range interactions of chain elements that give the fractional equations for the medium model are discussed. The chain equations of motion with long-range interaction are mapped into the continuum equation with the Riesz fractional derivative. We formulate the consistent definition of continuous limit for the systems with long-range interactions. In this paper, we consider a wide class of long-range interactions that give fractional medium equations in the continuous limit. The power-law interaction is a special case of this class

  1. Electron transfer from electronic excited states to sub-vacuum electron traps in amorphous ice

    International Nuclear Information System (INIS)

    Vichnevetski, E.; Bass, A.D.; Sanche, L.

    2000-01-01

    We investigate the electron stimulated yield of electronically excited argon atoms (Ar * ) from monolayer quantities of Ar deposited onto thin films of amorphous ice. Two peaks of narrow width ( - electron-exciton complex into exciton states, by the transfer of an electron into a sub-vacuum electron state within the ice film. However, the 10.7 eV feature is shifted to lower energy since electron attachment to Ar occurs within small pores of amorphous ice. In this case, the excess electron is transferred into an electron trap below the conduction band of the ice layer

  2. Long-range correlation and market segmentation in bond market

    Science.gov (United States)

    Wang, Zhongxing; Yan, Yan; Chen, Xiaosong

    2017-09-01

    This paper investigates the long-range auto-correlations and cross-correlations in bond market. Based on Detrended Moving Average (DMA) method, empirical results present a clear evidence of long-range persistence that exists in one year scale. The degree of long-range correlation related to maturities has an upward tendency with a peak in short term. These findings confirm the expectations of fractal market hypothesis (FMH). Furthermore, we have developed a method based on a complex network to study the long-range cross-correlation structure and applied it to our data, and found a clear pattern of market segmentation in the long run. We also detected the nature of long-range correlation in the sub-period 2007-2012 and 2011-2016. The result from our research shows that long-range auto-correlations are decreasing in the recent years while long-range cross-correlations are strengthening.

  3. Transfer coating by electron initiated polymerization

    International Nuclear Information System (INIS)

    Nablo, S.V.

    1984-01-01

    The high speed and depth of cure possible with electron initiated monomer/oligomer coating systems provide many new opportunities for approaches to product finishing. Moreover, the use of transfer or cast coating using films or metallic surfaces offers the ability to precisely control the surface topology of liquid film surfaces during polymerization. Transfer coating such as with textiles has been a commercial process for many years and the synergistic addition of EB technology permits the manufacture of unusual new products. One of these, the casting paper used in the manufacture of vinyl and urethane fabrics, is the first EB application to use a drum surface for pattern replication in the coating. In this case the coated paper is cured against, and then released from, an engraved drum surface. Recent developments in the use of plastic films for transfer have been applied to the manufacture of transfer metallized and coated paper and paperboard products for packaging. Details of these and related processes are presented as well as a discussion of the typical product areas (e.g. photographic papers, release papers, magnetic media) using this high speed transfer technology

  4. Transfer coating by electron initiated polymerization

    International Nuclear Information System (INIS)

    Nablo, S.V.

    1985-01-01

    The high speed and depth of cure possible with electron initiated monomer/oligomer coating systems provide many new opportunities for approaches to product finishing. Moreover, the use of transfer or cast coating using films or metallic surfaces offers the ability to precisely control the surface topology of liquid film surfaces during polymerization. Transfer coating such as with textiles has been a commercial process for many years and the synergistic addition of EB technology permits the manufacture of unusual new products. One of these, the casting paper used in the manufacture of vinyl and urethane fabrics, is the first EB application to use a drum surface for pattern replication in the coating. In this case the coated paper is cured against, and then released from, an engraved drum surface. Recent developments in the use of plastic films for transfer have been applied to the manufacture of transfer metallized and coated paper and paperboard products for packaging. Details of these and related processes will be presented as well as a discussion of the typical product areas using this high speed transfer technology. (author)

  5. Promoting Interspecies Electron Transfer with Biochar

    Science.gov (United States)

    Chen, Shanshan; Rotaru, Amelia-Elena; Shrestha, Pravin Malla; Malvankar, Nikhil S.; Liu, Fanghua; Fan, Wei; Nevin, Kelly P.; Lovley, Derek R.

    2014-01-01

    Biochar, a charcoal-like product of the incomplete combustion of organic materials, is an increasingly popular soil amendment designed to improve soil fertility. We investigated the possibility that biochar could promote direct interspecies electron transfer (DIET) in a manner similar to that previously reported for granular activated carbon (GAC). Although the biochars investigated were 1000 times less conductive than GAC, they stimulated DIET in co-cultures of Geobacter metallireducens with Geobacter sulfurreducens or Methanosarcina barkeri in which ethanol was the electron donor. Cells were attached to the biochar, yet not in close contact, suggesting that electrons were likely conducted through the biochar, rather than biological electrical connections. The finding that biochar can stimulate DIET may be an important consideration when amending soils with biochar and can help explain why biochar may enhance methane production from organic wastes under anaerobic conditions. PMID:24846283

  6. The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs.

    Science.gov (United States)

    Raeber, Alexandra E; Wong, Bryan M

    2015-05-12

    We present a detailed analysis of several time-dependent DFT (TD-DFT) methods, including conventional hybrid functionals and two types of nonempirically tuned range-separated functionals, for predicting a diverse set of electronic excitations in DNA nucleobase monomers and dimers. This large and extensive set of excitations comprises a total of 50 different transitions (for each tested DFT functional) that includes several n → π and π → π* valence excitations, long-range charge-transfer excitations, and extended Rydberg transitions (complete with benchmark calculations from high-level EOM-CCSD(T) methods). The presence of localized valence excitations as well as extreme long-range charge-transfer excitations in these systems poses a serious challenge for TD-DFT methods that allows us to assess the importance of both short- and long-range exchange contributions for simultaneously predicting all of these various transitions. In particular, we find that functionals that do not have both short- and full long-range exchange components are unable to predict the different types of nucleobase excitations with the same accuracy. Most importantly, the current study highlights the importance of both short-range exchange and a nonempirically tuned contribution of long-range exchange for accurately predicting the diverse excitations in these challenging nucleobase systems.

  7. Pulse Radiolysis Studies of Temperature Dependent Electron Transfers among Redox Centers in ba(3)-Cytochrome c Oxidase from Thermus thermophilus

    DEFF Research Database (Denmark)

    Farver, Ole; Wherland, Scot; Antholine, William E

    2010-01-01

    The functioning of cytochrome c oxidases involves orchestration of long-range electron transfer (ET) events among the four redox active metal centers. We report the temperature dependence of electron transfer from the Cu(A)(r) site to the low-spin heme-(a)b(o) site, i.e., Cu(A)(r) + heme-a(b)(o) ......The functioning of cytochrome c oxidases involves orchestration of long-range electron transfer (ET) events among the four redox active metal centers. We report the temperature dependence of electron transfer from the Cu(A)(r) site to the low-spin heme-(a)b(o) site, i.e., Cu(A)(r) + heme...... in cytochrome ba(3) had no effect on the rate of this reaction whereas the II-Met160Leu Cu(A)-mutation was slower by an amount corresponding to a decreased driving force of ∼0.06 eV. The structures support the presence of a common, electron-conducting "wire" between Cu(A) and heme-a(b). The transfer...

  8. 14 CFR 1260.69 - Electronic funds transfer payment methods.

    Science.gov (United States)

    2010-01-01

    ... Government by electronic funds transfer through the Treasury Fedline Payment System (FEDLINE) or the... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Electronic funds transfer payment methods... COOPERATIVE AGREEMENTS General Special Conditions § 1260.69 Electronic funds transfer payment methods...

  9. ENSEMBLE methods to reconcile disparate national long range dispersion forecasts

    OpenAIRE

    Mikkelsen, Torben; Galmarini, S.; Bianconi, R.; French, S.

    2003-01-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparatenational forecasts for long-range dispersion. ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an a...

  10. Single-Molecule Interfacial Electron Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Ho, Wilson [Univ. of California, Irvine, CA (United States)

    2018-02-03

    Interfacial electron transfer (ET) plays an important role in many chemical and biological processes. Specifically, interfacial ET in TiO2-based systems is important to solar energy technology, catalysis, and environmental remediation technology. However, the microscopic mechanism of interfacial ET is not well understood with regard to atomic surface structure, molecular structure, bonding, orientation, and motion. In this project, we used two complementary methodologies; single-molecule fluorescence spectroscopy, and scanning-tunneling microscopy and spectroscopy (STM and STS) to address this scientific need. The goal of this project was to integrate these techniques and measure the molecular dependence of ET between adsorbed molecules and TiO2 semiconductor surfaces and the ET induced reactions such as the splitting of water. The scanning probe techniques, STM and STS, are capable of providing the highest spatial resolution but not easily time-resolved data. Single-molecule fluorescence spectroscopy is capable of good time resolution but requires further development to match the spatial resolution of the STM. The integrated approach involving Peter Lu at Bowling Green State University (BGSU) and Wilson Ho at the University of California, Irvine (UC Irvine) produced methods for time and spatially resolved chemical imaging of interfacial electron transfer dynamics and photocatalytic reactions. An integral aspect of the joint research was a significant exchange of graduate students to work at the two institutions. This project bridged complementary approaches to investigate a set of common problems by working with the same molecules on a variety of solid surfaces, but using appropriate techniques to probe under ambient (BGSU) and ultrahigh vacuum (UCI) conditions. The molecular level understanding of the fundamental interfacial electron transfer processes obtained in this joint project will be important for developing efficient light harvesting

  11. Double electron transfer in H- + H+ collisions

    International Nuclear Information System (INIS)

    Braeuning, H; Helm, H; Briggs, J S; Salzborn, E

    2007-01-01

    Absolute cross sections for double electron transfer in H - + H + collisions have been measured for center-of-mass energies from 0.5 keV to 12 keV. Clear oscillations in the cross section are observed which are in excellent agreement with earlier measurements at lower energies by Brouillard et al (1979) as well as Peart and Dolder (1979). After an oscillation maximum at 3 keV center-of-mass energy the cross section decreases for increasing energy with no indication of further oscillations

  12. Resonant long-range interactions between polar macromolecules

    International Nuclear Information System (INIS)

    Preto, Jordane; Pettini, Marco

    2013-01-01

    Motivated by its prospective biological relevance, the issue of resonant long-range interactions between two molecules displaying oscillating dipole moments is reinvestigated within the framework of classical electrodynamics. In particular, our findings shed new light on Fröhlich's theory of selective long-range interactions between biomolecules. First, terms of a very long-range kind – which have never been reported so far – are found in the interaction potential, due to field retardation. Second, at variance with a long-standing belief, it is shown that sizable resonant long-range interactions may exist only if the interacting system is out of thermal equilibrium.

  13. Electron transfer pathways in microbial oxygen biocathodes

    Energy Technology Data Exchange (ETDEWEB)

    Freguia, Stefano, E-mail: stefano@kais.kyoto-u.ac.j [Bio-analytical and Physical Chemistry Laboratory, Division of Applied Life Sciences, Graduate School of Agriculture, Kyoto University, Sakyo-ku, Kyoto 606-8205 (Japan); Tsujimura, Seiya, E-mail: seiya@kais.kyoto-u.ac.j [Bio-analytical and Physical Chemistry Laboratory, Division of Applied Life Sciences, Graduate School of Agriculture, Kyoto University, Sakyo-ku, Kyoto 606-8205 (Japan); Kano, Kenji, E-mail: kkano@kais.kyoto-u.ac.j [Bio-analytical and Physical Chemistry Laboratory, Division of Applied Life Sciences, Graduate School of Agriculture, Kyoto University, Sakyo-ku, Kyoto 606-8205 (Japan)

    2010-01-01

    The ability of some bacteria to enhance the rate of cathodic oxygen reduction to water has been recently discovered, opening the way to an entirely renewable and environmentally friendly concept of biocathode. In this study we reveal that several mechanisms may induce catalytic effects by bacteria. These comprise mechanisms that are putatively beneficial to the bacteria as well as mechanisms which are merely side effects, including quinone autoxidation and direct O{sub 2} reduction by heme compounds. Here we showed that 1 muM of ACNQ is able to generate a significant catalytic wave for oxygen reduction, with onset at approximately 0 V vs. SHE. Similarly, adsorption of hemin on a carbon surface catalyses O{sub 2} reduction to H{sub 2}O{sub 2} with an onset of +0.2 V vs. SHE. To evaluate the catalytic pathways of live cells on cathodic oxygen reduction, two species of electrochemically active bacteria were selected as pure cultures, namely Acinetobacter calcoaceticus and Shewanella putrefaciens. The former appears to exploit a self-excreted redox compound with redox characteristics matching those of pyrroloquinoline quinone (PQQ) for extracellular electron transfer. The latter appears to utilise outer membrane-bound redox compounds. Interaction of quinones and cytochromes with the membrane-bound electron transfer chain is yet to be proven.

  14. INVERSE ELECTRON TRANSFER IN PEROXYOXALATE CHEMIEXCITATION USING EASILY REDUCIBLE ACTIVATORS

    NARCIS (Netherlands)

    Bartoloni, Fernando Heering; Monteiro Leite Ciscato, Luiz Francisco; Augusto, Felipe Alberto; Baader, Wilhelm Josef

    2010-01-01

    INVERSE ELECTRON TRANSFER IN PEROXYOXALATE CHEMIEXCITATION USING EASILY REDUCIBLE ACTIVATORS. Chemiluminescence properties of the peroxyoxalate reaction in the presence of activators bearing electron withdrawing substituents were studied, to evaluate the possible occurrence of an inverse electron

  15. A Model for Long Range Planning for Seminole Community College.

    Science.gov (United States)

    Miner, Norris

    A model for long-range planning designed to maximize involvement of college personnel, to improve communication among various areas of the college, to provide a process for evaluation of long-range plans and the planning process, to adjust to changing conditions, to utilize data developed at a level useful for actual operations, and to have…

  16. Report of the Long-Range Planning Committee

    International Nuclear Information System (INIS)

    1984-01-01

    This is the final report of the Long-Range Planning Committee of the Lawrence Livermore National Laboratory. It describes the make-up, purpose, working assumptions, and activities of the Committee and discusses the work done by the Committee on defense matters, energy, a number of additional topics, and future long-range planning activities

  17. Down the Road...Long Range Planning for Automation.

    Science.gov (United States)

    Texas State Library, Austin. Dept. of Library Development.

    The materials in this manual/workbook were prepared to assist participants in a workshop on long-range planning for library automation. Chapters cover the following topics: (1) "What Is Long-Range Planning?" (2) "Why Plan?" (3) "Who Needs to Participate?" (4) "Planning to Plan"; (5) "Determining Needs"; (6) "Description and Introduction"; (7)…

  18. Degeneracy and long-range correlation: A simulation study

    Directory of Open Access Journals (Sweden)

    Marmelat Vivien

    2011-12-01

    Full Text Available We present in this paper a simulation study that aimed at evidencing a causal relationship between degeneracy and long-range correlations. Long-range correlations represent a very specific form of fluctuations that have been evidenced in the outcomes time series produced by a number of natural systems. Long-range correlations are supposed to sign the complexity, adaptability and flexibility of the system. Degeneracy is defined as the ability of elements that are structurally different to perform the same function, and is presented as a key feature for explaining the robustness of complex systems. We propose a model able to generate long-range correlated series, and including a parameter that account for degeneracy. Results show that a decrease in degeneracy tends to reduce the strength of long-range correlation in the series produced by the model.

  19. Reaction of electron-transfer flavoprotein with electron-transfer flavoprotein-ubiquinone oxidoreductase

    International Nuclear Information System (INIS)

    Beckmann, J.D.; Frerman, F.E.

    1985-01-01

    The oxidative half-reaction of electron-transfer flavoprotein (ETF), electron transfer from ETF to electron-transfer flavoprotein-ubiquinone oxidoreductase (ETF-QO), is dependent on complementary surface charges on the two proteins. ETF is the positively charged member of the redox pair. The evidence is based on the pH and ionic strength dependencies of the comproportionation of oxidized ETF and ETF hydroquinone catalyzed by ETF-QO and on the effects of chemical modification of ETF on the comproportionation reaction. Acetylation of one and five epsilon-amino groups of lysyl residues results in 3- and 13-fold increases, respectively, in the K/sub m/ of ETF-QO for ETF but no change in V/sub max/. Amidination, which maintains positive charge at modified loci, has no effect on steady-state kinetic constants. These chemical modifications have no effect on the equilibrium constant for equilibration of ETF redox states. The K/sub m/ of ETF-QO for ETF is pH dependent above pH 8.5, suggesting titration of lysyl residues. The ionic strength dependence of TN/KmETF for the reaction follows the limiting Bronsted equation. The ETF-QO-catalyzed comproportionation reaction exhibits a primary deuterium isotope effect in D 2 O, perhaps indicating the participation of solvent water in the electron-transfer reaction

  20. Electron transfer in gas surface collisions

    International Nuclear Information System (INIS)

    Wunnik, J.N.M. van.

    1983-01-01

    In this thesis electron transfer between atoms and metal surfaces in general is discussed and the negative ionization of hydrogen by scattering protons at a cesiated crystalline tungsten (110) surface in particular. Experimental results and a novel theoretical analysis are presented. In Chapter I a theoretical overview of resonant electron transitions between atoms and metals is given. In the first part of chapter II atom-metal electron transitions at a fixed atom-metal distance are described on the basis of a model developed by Gadzuk. In the second part the influence of the motion of the atom on the atomic charge state is incorporated. Measurements presented in chapter III show a strong dependence of the fraction of negatively charged H atoms scattered at cesiated tungsten, on the normal as well as the parallel velocity component. In chapter IV the proposed mechanism for the parallel velocity effect is incorporated in the amplitude method. The scattering process of protons incident under grazing angles on a cesium covered surface is studied in chapter V. (Auth.)

  1. Quantum tunneling resonant electron transfer process in Lorentzian plasmas

    International Nuclear Information System (INIS)

    Hong, Woo-Pyo; Jung, Young-Dae

    2014-01-01

    The quantum tunneling resonant electron transfer process between a positive ion and a neutral atom collision is investigated in nonthermal generalized Lorentzian plasmas. The result shows that the nonthermal effect enhances the resonant electron transfer cross section in Lorentzian plasmas. It is found that the nonthermal effect on the classical resonant electron transfer cross section is more significant than that on the quantum tunneling resonant charge transfer cross section. It is shown that the nonthermal effect on the resonant electron transfer cross section decreases with an increase of the Debye length. In addition, the nonthermal effect on the quantum tunneling resonant electron transfer cross section decreases with increasing collision energy. The variation of nonthermal and plasma shielding effects on the quantum tunneling resonant electron transfer process is also discussed

  2. GPU-accelerated computation of electron transfer.

    Science.gov (United States)

    Höfinger, Siegfried; Acocella, Angela; Pop, Sergiu C; Narumi, Tetsu; Yasuoka, Kenji; Beu, Titus; Zerbetto, Francesco

    2012-11-05

    Electron transfer is a fundamental process that can be studied with the help of computer simulation. The underlying quantum mechanical description renders the problem a computationally intensive application. In this study, we probe the graphics processing unit (GPU) for suitability to this type of problem. Time-critical components are identified via profiling of an existing implementation and several different variants are tested involving the GPU at increasing levels of abstraction. A publicly available library supporting basic linear algebra operations on the GPU turns out to accelerate the computation approximately 50-fold with minor dependence on actual problem size. The performance gain does not compromise numerical accuracy and is of significant value for practical purposes. Copyright © 2012 Wiley Periodicals, Inc.

  3. Charge transfer in gas electron multipliers

    Energy Technology Data Exchange (ETDEWEB)

    Ottnad, Jonathan; Ball, Markus; Ketzer, Bernhard; Ratza, Viktor; Razzaghi, Cina [HISKP, Bonn University, Nussallee 14-16, D-53115 Bonn (Germany)

    2015-07-01

    In order to efficiently employ a Time Projection Chamber (TPC) at interaction rates higher than ∝1 kHz, as foreseen e.g. in the ALICE experiment (CERN) and at CB-ELSA (Bonn), a continuous operation and readout mode is required. A necessary prerequisite is to minimize the space charge coming from the amplification system and to maintain an excellent spatial and energy resolution. Unfortunately these two goals can be in conflict to each other. Gas Electron Multipliers (GEM) are one candidate to fulfill these requirements. It is necessary to understand the processes within the amplification structure to find optimal operation conditions. To do so, we measure the charge transfer processes in and between GEM foils with different geometries and field configurations, and use an analytical model to describe the results. This model can then be used to predict and optimize the performance. The talk gives the present status of the measurements and describes the model.

  4. Direct electron transfer based enzymatic fuel cells

    International Nuclear Information System (INIS)

    Falk, Magnus; Blum, Zoltan; Shleev, Sergey

    2012-01-01

    In this mini-review we briefly describe some historical developments made in the field of enzymatic fuel cells (FCs), discussing important design considerations taken when constructing mediator-, cofactor-, and membrane-less biological FCs (BFCs). Since the topic is rather extensive, only BFCs utilizing direct electron transfer (DET) reactions on both the anodic and cathodic sides are considered. Moreover, the performance of mostly glucose/oxygen biodevices is analyzed and compared. We also present some unpublished results on mediator-, cofactor-, and membrane-less glucose/oxygen BFCs recently designed in our group and tested in different human physiological fluids, such as blood, plasma, saliva, and tears. Finally, further perspectives for BFC applications are highlighted.

  5. Long range implantation by MEVVA metal ion source

    International Nuclear Information System (INIS)

    Zhang Tonghe; Wu Yuguang; Ma Furong; Liang Hong

    2001-01-01

    Metal vapor vacuum arc (MEVVA) source ion implantation is a new technology used for achieving long range ion implantation. It is very important for research and application of the ion beam modification of materials. The results show that the implanted atom diffusion coefficient increases in Mo implanted Al with high ion flux and high dose. The implanted depth is 311.6 times greater than that of the corresponding ion range. The ion species, doses and ion fluxes play an important part in the long-range implantation. Especially, thermal atom chemistry have specific effect on the long-range implantation during high ion flux implantation at transient high target temperature

  6. Spectral long-range interaction of temporal incoherent solitons.

    Science.gov (United States)

    Xu, Gang; Garnier, Josselin; Picozzi, Antonio

    2014-02-01

    We study the interaction of temporal incoherent solitons sustained by a highly noninstantaneous (Raman-like) nonlinear response. The incoherent solitons exhibit a nonmutual interaction, which can be either attractive or repulsive depending on their relative initial distance. The analysis reveals that incoherent solitons exhibit a long-range interaction in frequency space, which is in contrast with the expected spectral short-range interaction described by the usual approach based on the Raman-like spectral gain curve. Both phenomena of anomalous interaction and spectral long-range behavior of incoherent solitons are described in detail by a long-range Vlasov equation.

  7. 14 CFR 1274.931 - Electronic funds transfer payment methods.

    Science.gov (United States)

    2010-01-01

    ... cooperative agreement will be made by the Government by electronic funds transfer through the Treasury Fedline... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Electronic funds transfer payment methods... COOPERATIVE AGREEMENTS WITH COMMERCIAL FIRMS Other Provisions and Special Conditions § 1274.931 Electronic...

  8. Scintillation mitigation for long-range surveillance video

    CSIR Research Space (South Africa)

    Delport, JP

    2010-09-01

    Full Text Available Atmospheric turbulence is a naturally occurring phenomenon that can severely degrade the quality of long-range surveillance video footage. Major effects include image blurring, image warping and temporal wavering of objects in the scene. Mitigating...

  9. Long-Range Nondestructive Testing System, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal is for the development of a long range, multi-point non-destructive system for the detection of subsurface flaws in metallic and composite materials of...

  10. Interim report on long range plan for nuclear physics

    International Nuclear Information System (INIS)

    Anon.

    1995-01-01

    The interim report on the updated NSAC Long Range Plan for Nuclear Physics will be presented to the community for discussion and comment before submission to the funding agencies. The presentation will be coordinated by E. Moniz chair of NSAC

  11. Observed Orbit Effects during Long Range Beam-Beam Studies

    CERN Document Server

    Alemany, R; Buffat, X; Calaga, R; Fitterer, M; Giachino, R; Hemelsoet, GH; Herr, W; Papotti, G; Pieloni, T; Poyer, M; Schaumann, M; Trad, G; Wollmann, D

    2012-01-01

    Possible limitations due to long range beam-beam effects at the LHC have been studied and are presented in this note. With a larger number of bunches and collisions in all interaction points, the crossing angles were reduced to enhance long range beam-beam effects. The analysis of the effects on the dynamic aperture and losses are documented in [1]. This note concentrates on the bunch-by-bunch orbit effects observed during the experiment.

  12. Long-range eye tracking: A feasibility study

    Energy Technology Data Exchange (ETDEWEB)

    Jayaweera, S.K.; Lu, Shin-yee

    1994-08-24

    The design considerations for a long-range Purkinje effects based video tracking system using current technology is presented. Past work, current experiments, and future directions are thoroughly discussed, with an emphasis on digital signal processing techniques and obstacles. It has been determined that while a robust, efficient, long-range, and non-invasive eye tracking system will be difficult to develop, such as a project is indeed feasible.

  13. Testing for long-range dependence in world stock markets

    OpenAIRE

    Cajueiro, Daniel Oliveira; Tabak, Benjamin Miranda

    2008-01-01

    In this paper, we show a novel approach to rank stock market indices in terms of weak form efficiency using state of the art methodology in statistical physics. We employ the R/S and V/S methodologies to test for long-range dependence in equity returns and volatility. Empirical results suggests that although emerging markets possess stronger long-range dependence in equity returns than developed economies, this is not true for volatility. In the case of volatility, Hurst exponents...

  14. Scattering of neutral metal clusters: Long-range interactions and response properties

    International Nuclear Information System (INIS)

    Kresin, V.V.; Scheidemann, A.

    1993-01-01

    The absolute integral cross sections for low-energy collisions of neutral sodium clusters Na n (n=2--40) with atoms and molecules (Ar, N 2 , O 2 , and halogens) have been measured. The cross sections are found to be exceptionally large (up to thousands of square angstroms), showing the dominant role of long-range intermolecular interactions. Elastic scattering proceeding under the influence of the van der Waals force, and a reaction channel involving electron transfer can successfully describe the measurements. The strength of the van der Waals potential is defined by such cluster response properties as the electric polarizability and the frequency of the giant dipole resonance. The reactive electron-jump channel, in turn, is described by the ''harpooning'' mechanism which is sensitive to the cluster ionization potential. Employing parameters taken from spectroscopic studies of alkali clusters, we obtain good agreement with the observed cross sections. This provides a direct connection between beam scattering experiments and studies of cluster electromagnetic response properties

  15. Electron transfer reactions of metal complexes in solution

    International Nuclear Information System (INIS)

    Sutin, N.

    1977-01-01

    A few representative electron-transfer reactions are selected and their kinetic parameters compared with the predictions of activated complex models. Since Taube has presented an elegant treatment of intramolecular electron-transfer reactions, emphasis is on bimolecular reactions. The latter electron-transfer reactions are more complicated to treat theoretically since the geometries of their activated complexes are not as well known as for the intramolecular case. In addition in biomolecular reactions, the work required to bring the two reactants together needs to be calculated. Since both reactants generally carry charges this presents a non-trivial problem at the ionic strengths usually used to study bimolecular electron transfer

  16. Molecular monolayers and interfacial electron transfer of pseudomonas aeruginosa azurin on Au(111)

    DEFF Research Database (Denmark)

    Chi, Qijin; Zhang, Jingdong; Nielsen, Jens Ulrik

    2000-01-01

    disulfide group to form a monolayer. The adsorption of this protein on Au(111) via a gold-sulfur binding mode is further supported by XPS measurements. In situ STM images with molecular resolution have been recorded and show a dense monolayer organization of adsorbed azurin molecules. Direct electron......We provide a comprehensive approach to the formation and characterization of molecular monolayers of the blue copper protein Pseudomonas aeruginosa azurin on Au(111) in aqueous ammonium acetate solution. Main issues are adsorption patterns, reductive desorption, properties of the double layer......, and long-range electrochemical electron transfer between the electrode and the copper center. Voltammetry, electrochemical impedance spectroscopy (EIS), in situ scanning tunneling microscopy (STM), and X-ray photoelectron spectroscopy (XPS) have been employed to disclose features of these issues. Zn...

  17. Long-range Coulomb interactions in low energy (e,2e) data

    International Nuclear Information System (INIS)

    Waterhouse, D.

    2000-01-01

    Full text: Proper treatment of long-range Coulomb interactions has confounded atomic collision theory since Schrodinger first presented a quantum-mechanical model for atomic interactions. The long-range Coulomb interactions are difficult to include in models in a way that treats the interaction sufficiently well but at the same time ensures the calculation remains tractable. An innovative application of an existing multi-parameter (e,2e) data acquisition system will be described. To clarify the effects of long-range Coulomb interactions, we will report the correlations and interactions that occur at low energy, observed by studying the energy sharing between outgoing electrons in the electron-impact ionisation of krypton

  18. Mechanism of Intermolecular Electron Transfer in Bionanostructures

    Science.gov (United States)

    Gruodis, A.; Galikova, N.; Šarka, K.; Saulė, R.; Batiuškaitė, D.; Saulis, G.

    Hepatocellular carcinoma (HCC) is one of the most common malignant tumors worldwide. Most patients are inoperable and hepatoma cells are resistant to conventional chemotherapies. Thus, the development of novel therapies for HCC treatment is of paramount importance. Amongst different alimentary factors, vitamin C and vitamin K3 In the present work, it has been shown that the treatment of mouse hepatoma MH-22A cells by vitamin C and vitamin K3 at the ratio of 100:1 greatly enhanced their cytotoxicity. When cells were subjected to vitamin C at 200 μM or to vitamin K3 at 2 μM separately, their viability reduced by only about 10%. However, when vitamins C and K3 were combined at the same concentrations, they killed more than 90% of cells. To elucidate the mechanism of the synergistic cytotoxicity of the C&K3 mixture, theoretical quantum-chemical analysis of the dynamics of intermolecular electron transfer (IET) processes within the complexes containing C (five forms) and K3 (one form) has been carried out. Optimization of the ground state complex geometry has been provided by means of GAUSSIAN03 package. Simulation of the IET has been carried out using NUVOLA package, in the framework of molecular orbitals (MO). The rate of IET has been calculated using Fermi Golden rule. The results of simulations allow us to create the preliminary model of the reaction pathway.

  19. Electronic transfer of sensitive patient data.

    Science.gov (United States)

    Detterbeck, A M W; Kaiser, J; Hirschfelder, U

    2015-01-01

    The purpose of this study was to develop decision-making aids and recommendations for dental practitioners regarding the utilization and sharing of sensitive digital patient data. In the current environment of growing digitization, healthcare professionals need detailed knowledge of secure data management to maximize confidentiality and minimize the risks involved in both archiving patient data and sharing it through electronic channels. Despite well-defined legal requirements, an all-inclusive technological solution does not currently exist. The need for a preliminary review and critical appraisal of common practices of data transfer prompted a search of the literature and the Web to identify viable methods of secure data exchange and to develop a flowchart. A strong focus was placed on the transmission of datasets both smaller than and larger than 10 MB, and on secure communication by smartphone. Although encryption of patient-related data should be routine, it is often difficult to implement. Pretty Good Privacy (PGP) and Secure/Multipurpose Internet Mail Extensions (S/MIME) are viable standards for secure e-mail encryption. Sharing of high-volume data should be accomplished with the help of file encryption. Careful handling of sensitive patient data is mandatory, and it is the end-user's responsibility to meet any requirements for encryption, preferably by using free, open-source (and hence transparent) software.

  20. Effect of disorder with long-range correlation on transport in graphene nanoribbon

    International Nuclear Information System (INIS)

    Zhang, G P; Gao, M; Shangguan, M H; Zhang, Y Y; Liu, N; Qin, Z J

    2012-01-01

    Transport in disordered armchair graphene nanoribbons (AGR) with long-range correlation between quantum wire contacts is investigated by a transfer matrix combined with Landauer’s formula. The metal-insulator transition is induced by disorder in neutral AGR. Therein, the conductance is one conductance quantum for the metallic phase and exponentially decays otherwise, when the length of AGR approaches infinity and far longer than its width. Similar to the case of long-range disorder, the conductance of neutral AGR first increases and then decreases while the conductance of doped AGR monotonically decreases, as the disorder strength increases. In the presence of strong disorder, the conductivity depends monotonically and non-monotonically on the aspect ratio for heavily doped and slightly doped AGR, respectively. For edge disordered graphene nanoribbon, the conductance increases with the disorder strength of long-range correlated disordered while no delocalization exists, since the edge disorder induces localization. (paper)

  1. ENSEMBLE methods to reconcile disparate national long range dispersion forecasts

    DEFF Research Database (Denmark)

    Mikkelsen, Torben; Galmarini, S.; Bianconi, R.

    2003-01-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparatenational forecasts for long-range dispersion...... emergency and meteorological forecasting centres, which may choose to integrate them directly intooperational emergency information systems, or possibly use them as a basis for future system development.......ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparatenational forecasts for long-range dispersion....... ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an accidentalatmospheric release of radioactive material. A series of new decision-making “ENSEMBLE” procedures...

  2. 76 FR 709 - Electronic Funds Transfer of Depository Taxes; Correction

    Science.gov (United States)

    2011-01-06

    ... DEPARTMENT OF THE TREASURY Internal Revenue Service 26 CFR Parts 40 and 301 [TD 9507] RIN 1545-BJ13 Electronic Funds Transfer of Depository Taxes; Correction AGENCY: Internal Revenue Service (IRS...) providing guidance relating to Federal tax deposits (FTDs) by Electronic Funds Transfer (EFT). The temporary...

  3. 76 FR 708 - Electronic Funds Transfer of Depository Taxes; Correction

    Science.gov (United States)

    2011-01-06

    ... DEPARTMENT OF THE TREASURY Internal Revenue Service 26 CFR Parts 1, 31, 40, and 301 [TD 9507] RIN 1545-BJ13 Electronic Funds Transfer of Depository Taxes; Correction AGENCY: Internal Revenue Service... Electronic Funds Transfer (EFT). The temporary and final regulations provide rules under which depositors...

  4. 78 FR 66251 - Electronic Fund Transfers(Regulation E)

    Science.gov (United States)

    2013-11-05

    ... Electronic Fund Transfers (Regulation E) AGENCY: Bureau of Consumer Financial Protection. ACTION: Notice of... subpart B of Regulation E, which implements the Electronic Fund Transfer Act, and published this list on...-rule-amendment-to-regulation-e/ . SUPPLEMENTARY INFORMATION: The Bureau published its remittance rule...

  5. 78 FR 49365 - Electronic Fund Transfers (Regulation E); Correction

    Science.gov (United States)

    2013-08-14

    ... BUREAU OF CONSUMER FINANCIAL PROTECTION 12 CFR Part 1005 [Docket No. CFPB-2012-0050] RIN 3170-AA33 Electronic Fund Transfers (Regulation E); Correction AGENCY: Bureau of Consumer Financial Protection. ACTION... 2013 Final Rule, which along with three other final rules \\1\\ implements the Electronic Fund Transfer...

  6. THE ELECTRONIC COURSE OF HEAT AND MASS TRANSFER

    Directory of Open Access Journals (Sweden)

    Alexander P. Solodov

    2013-01-01

    Full Text Available The Electronic course of heat and mass transfer in power engineering is presented containing the full Electronic book as the structured hypertext document, the full set of Mathcad-documents with the whole set of educative computer models of heat and mass transfer, the computer labs, and selected educational presentations. 

  7. Memory and long-range correlations in chess games

    Science.gov (United States)

    Schaigorodsky, Ana L.; Perotti, Juan I.; Billoni, Orlando V.

    2014-01-01

    In this paper we report the existence of long-range memory in the opening moves of a chronologically ordered set of chess games using an extensive chess database. We used two mapping rules to build discrete time series and analyzed them using two methods for detecting long-range correlations; rescaled range analysis and detrended fluctuation analysis. We found that long-range memory is related to the level of the players. When the database is filtered according to player levels we found differences in the persistence of the different subsets. For high level players, correlations are stronger at long time scales; whereas in intermediate and low level players they reach the maximum value at shorter time scales. This can be interpreted as a signature of the different strategies used by players with different levels of expertise. These results are robust against the assignation rules and the method employed in the analysis of the time series.

  8. Long-range interactions in lattice field theory

    Energy Technology Data Exchange (ETDEWEB)

    Rabin, J.M.

    1981-06-01

    Lattice quantum field theories containing fermions can be formulated in a chirally invariant way provided long-range interactions are introduced. It is established that in weak-coupling perturbation theory such a lattice theory is renormalizable when the corresponding continuum theory is, and that the continuum theory is indeed recovered in the perturbative continuum limit. In the strong-coupling limit of these theories one is led to study an effective Hamiltonian describing a Heisenberg antiferromagnet with long-range interactions. Block-spin renormalization group methods are used to find a critical rate of falloff of the interactions, approximately as inverse distance squared, which separates a nearest-neighbor-antiferromagnetic phase from a phase displaying identifiable long-range effects. A duality-type symmetry is present in some block-spin calculations.

  9. Long-range interactions in lattice field theory

    International Nuclear Information System (INIS)

    Rabin, J.M.

    1981-06-01

    Lattice quantum field theories containing fermions can be formulated in a chirally invariant way provided long-range interactions are introduced. It is established that in weak-coupling perturbation theory such a lattice theory is renormalizable when the corresponding continuum theory is, and that the continuum theory is indeed recovered in the perturbative continuum limit. In the strong-coupling limit of these theories one is led to study an effective Hamiltonian describing a Heisenberg antiferromagnet with long-range interactions. Block-spin renormalization group methods are used to find a critical rate of falloff of the interactions, approximately as inverse distance squared, which separates a nearest-neighbor-antiferromagnetic phase from a phase displaying identifiable long-range effects. A duality-type symmetry is present in some block-spin calculations

  10. Inelastic electron scattering at low momentum transfer

    International Nuclear Information System (INIS)

    Richter, A.

    1979-01-01

    Recent advances of high energy resolution (ΔE approx. 30 keV FWHM) inelastic electron scattering at low momentum transfer (q -1 ) using selected experimental data from the Darmstadt electron linear accelerator are discussed. Strong emphasis is given to a comparison of the data with theoretical nuclear model predictions. Of the low multipolarity electric transitions investigated, as examples only E1 transitions to unnatural parity states in 11 B and E2 transitions of the very fragmented isoscalar quadrupole giant resonance in 208 Pb are considered. In 11 B the role of the Os hole in the configuration of the 1/2 + , 3/2 + and 5/2 + states is quantitatively determined via an interference mechanism in the transition probability. By comparison of the high resolution data with RPA calculations the E2 EWSR in 208 Pb is found to be much less exhausted than anticipated from previous medium energy resolution (e,e) and hadron scattering experiments. In the case of M1 transitions it is shown that the simplest idealized independent particle shell-model prediction breaks down badly. In 28 Si, ground-state correlations influence largely the detected M1 strength and such ground-state correlations are also responsible for the occurence of a strong M1 transition to a state at Ex = 10.319 MeV in 40 Ca. In 90 Zr only about 10% of the theoretically expected M1 strength is seen in (e,e) and in 140 Ce and 208 Pb none (detection limit 1-2 μ 2 K). In the case of 208 Pb high resolution spectra exist now up to an excitation energy of Ex = approx. 12MeV. The continuous decrease of the M1 strength with mass number is corroborated by the behaviour of strong but very fragmented M2 transitions which are detected in 28 Si, 90 Zr, 140 Ce and 208 Pb concentrated at an excitation energy E x approx. 44A -1 / 3 MeV. In 90 Zr, the distribution of spacings and widths of the many Jπ = 2 states are consistent with a Wigner and Porter-Thomas distribution, respectively. (orig.) 891 KBE/orig. 892 ARA

  11. Molecular Insights into Variable Electron Transfer in Amphibian Cryptochrome

    DEFF Research Database (Denmark)

    Sjulstok, Emil; Lüdemann, Gesa; Kubař, Tomáš

    2018-01-01

    are mutated, radical-pair formation is still observed. In this study, we computationally investigate electron-transfer pathways in the X. laevis cryptochrome DASH by extensively equilibrating a previously established homology model using molecular dynamics simulations and then mutating key amino acids......Cryptochrome proteins are activated by the absorption of blue light, leading to the formation of radical pairs through electron transfer in the active site. Recent experimental studies have shown that once some of the amino acid residues in the active site of Xenopus laevis cryptochrome DASH...... involved in the electron transfer. The electron-transfer pathways are then probed by using tight-binding density-functional theory. We report the alternative electron-transfer pathways resolved at the molecular level and, through comparison of amino acid sequences for cryptochromes from different species...

  12. Transcriptomic and genetic analysis of direct interspecies electron transfer

    DEFF Research Database (Denmark)

    Shrestha, Pravin Malla; Rotaru, Amelia-Elena; Summers, Zarath M

    2013-01-01

    The possibility that metatranscriptomic analysis could distinguish between direct interspecies electron transfer (DIET) and H2 interspecies transfer (HIT) in anaerobic communities was investigated by comparing gene transcript abundance in cocultures in which Geobacter sulfurreducens....... These results demonstrate that there are unique gene expression patterns that distinguish DIET from HIT and suggest that metatranscriptomics may be a promising route to investigate interspecies electron transfer pathways in more-complex environments....

  13. Netherlands Army Long Range Anti Armour Study - Status Report

    OpenAIRE

    Schagen, P.A.B. van

    1989-01-01

    At the end of the nineties the munition for the TOW weapon system in use at The Netherlands army, has to be replaced. The Life of Type of The Tow carrier ends in 2005. The long range anti armour study is to gain insight into the possibilities and limitations for the Netherlands army to deploy future (time period 1995-2000) weapon systems in the long range anti armour battle. The first study results are expected at the end of 1989. The study is sponsored by the Netherlands army and is carried ...

  14. Long-range interactions among three alkali-metal atoms

    International Nuclear Information System (INIS)

    Marinescu, M.; Starace, A.F.

    1996-01-01

    The long-range asymptotic form of the interaction potential surface for three neutral alkali-metal atoms in their ground states may be expressed as an expansion in inverse powers of inter-nuclear distances. The first leading powers are proportional to the dispersion coefficients for pairwise atomic interactions. They are followed by a term responsible for a three body dipole interaction. The authors results consist in evaluation of the three body dipole interaction coefficient between three alkali-metal atoms. The generalization to long-range n atom interaction terms will be discussed qualitatively

  15. Study of beam-beam long range compensation with octupoles

    CERN Document Server

    AUTHOR|(CDS)2068329; Pieloni, Tatiana; Buffat, Xavier; Tambasco, Claudia

    2017-01-01

    Long range beam-beam effects are responsible for particle losses and define fundamental operational parameters of colliders (i.e. crossing angles, intensities, emittances, ${\\beta}$${^∗}$). In this study we propose octuple magnets as a possible scheme to efficiently compensate long-range beam-beam interactions with a global correction scheme. The impact and improvements on the dynamic aperture of colliding beams together with estimates of the luminosity potentials are dis- cussed for the HL-LHC upgrade and extrapolations made for the FCC project.

  16. Long-range correlations and asymmetry in the Bitcoin market

    Science.gov (United States)

    Alvarez-Ramirez, J.; Rodriguez, E.; Ibarra-Valdez, C.

    2018-02-01

    This work studies long-range correlations and informational efficiency of the Bitcoin market for the period from June 30, 2013 to June 3rd, 2017. To this end, the detrended fluctuation analysis (DFA) was implemented over sliding windows to estimate long-range correlations for price returns. It was found that the Bitcoin market exhibits periods of efficiency alternating with periods where the price dynamics are driven by anti-persistence. The pattern is replicated by prices samples at day, hour and second frequencies. The Bitcoin market also presents asymmetric correlations with respect to increasing and decreasing price trending, with the former trend linked to anti-persistence of returns dynamics.

  17. Long-range correlation in cosmic microwave background radiation.

    Science.gov (United States)

    Movahed, M Sadegh; Ghasemi, F; Rahvar, Sohrab; Tabar, M Reza Rahimi

    2011-08-01

    We investigate the statistical anisotropy and gaussianity of temperature fluctuations of Cosmic Microwave Background (CMB) radiation data from the Wilkinson Microwave Anisotropy Probe survey, using the Multifractal Detrended Fluctuation Analysis, Rescaled Range, and Scaled Windowed Variance methods. Multifractal Detrended Fluctuation Analysis shows that CMB fluctuations has a long-range correlation function with a multifractal behavior. By comparing the shuffled and surrogate series of CMB data, we conclude that the multifractality nature of the temperature fluctuation of CMB radiation is mainly due to the long-range correlations, and the map is consistent with a gaussian distribution.

  18. TRANSFER

    African Journals Online (AJOL)

    This paper reports on further studies on long range energy transfer between curcumine as donor and another thiazine dye, thionine, which is closely related to methylene blue as energy harvester (Figure 1). Since thionine is known to have a higher quantum yield of singlet oxygen sensitization than methylene blue [8], it is ...

  19. Photoinduced electron transfer between the dendritic zinc phthalocyanines and anthraquinone

    Science.gov (United States)

    Chen, Kuizhi; Wen, Junri; Liu, Jiangsheng; Chen, Zhenzhen; Pan, Sujuan; Huang, Zheng; Peng, Yiru

    2015-03-01

    The intermolecular electron transfer between the novel dendritic zinc (II) phthalocyanines (G1-DPcB and G2-DPcB) and anthraquinone (AQ) was studied by steady-state fluorescence and UV/Vis absorption spectroscopic methods. The effect of dendron generation on intermolecular electron transfer was investigated. The results showed that the fluorescence emission of these dendritic phthalocyanines could be greatly quenched by AQ upon excitation at 610 nm. The Stern- Volmer constant (KSV) of electron transfer was decreased with increasing the dendron generations. Our study suggested that these novel dendritic phthalocyanines were effective new electron donors and transmission complexes and could be used as a potential artifical photosysthesis system.

  20. Electron transfer in organic glass. Distance and energy dependence

    International Nuclear Information System (INIS)

    Krongauz, V.V.

    1992-01-01

    The authors have investigated the distance and energy dependence of electron transfer in rigid organic glasses containing randomly dispersed electron donor and electron acceptor molecules. Pulsed radiolysis by an electron beam from a linear accelerator was used for ionization resulting in charge deposition on donor molecules. The disappearance kinetics of donor radical anions due to electron transfer to acceptor was monitored spectroscopically by the change in optical density at the wavelength corresponding to that of donor radical anion absorbance. It was found that the rate of the electron transfer observed experimentally was higher than that computed using the Marcus-Levich theory assuming that the electron-transfer activation barrier is equal to the binding energy of electron on the donor molecule. This discrepancy between the experimental and computed results suggests that the open-quotes inertclose quotes media in which electron-transfer reaction takes place may be participating in the process, resulting in experimentally observed higher electron-transfer rates. 32 refs., 3 figs., 2 tabs

  1. Theoretical Analysis of Proton Relays in Electrochemical Proton-Coupled Electron Transfer

    International Nuclear Information System (INIS)

    Auer, Benjamin; Fernandez, Laura; Hammes-Schiffer, Sharon

    2011-01-01

    The coupling of long-range electron transfer to proton transport over multiple sites plays a vital role in many biological and chemical processes. Recently a molecule with a hydrogen-bond relay inserted between the proton donor and acceptor sites in a proton-coupled electron transfer (PCET) system was studied electrochemically. The standard rate constants and kinetic isotope effects (KIEs) were measured experimentally for this system and a related single proton transfer system. In the present paper, these systems are studied theoretically using vibronically nonadiabatic rate constant expressions for electrochemical PCET. Application of this approach to proton relays requires the calculation of multidimensional proton vibrational wavefunctions and incorporation of multiple proton donor-acceptor motions. The calculated KIEs and relative standard rate constants for the single and double proton transfer systems are in agreement with the experimental data. The calculations indicate that the standard rate constant is lower for the double proton transfer system because of the smaller overlap integral between the ground state reduced and oxidized proton vibrational wavefunctions for this system, resulting in greater contributions from excited electron-proton vibronic states with higher free energy barriers. The decrease in proton donor-acceptor distances due to thermal fluctuations and the contributions from excited electron-proton vibronic states play important roles in proton relay systems. The theory suggests that the PCET rate constant may be increased by decreasing the equilibrium proton donor-acceptor distances or modifying the thermal motions of the molecule to facilitate the concurrent decrease of these distances. The submission of this journal article in ERIA is a requirement of the EFRC subcontract with Pennsylvania State University collaborators to get publications to OSTI.

  2. Long-range plasmonic waveguides with hyperbolic cladding

    DEFF Research Database (Denmark)

    Babicheva, Viktoriia E.; Shalaginov, Mikhail Y.; Ishii, Satoshi

    2015-01-01

    waveguides. We show that the proposed structures support long-range surface plasmon modes, which exist when the permittivity of the core matches the transverse effective permittivity component of the metamaterial cladding. In this regime, the surface plasmon polaritons of each cladding layer are strongly...

  3. Nanoimprinted reflecting gratings for long-range surface plasmon polaritons

    DEFF Research Database (Denmark)

    Pedersen, Rasmus Haugstrup; Boltasseva, Alexandra; Johansen, Dan Mario

    2007-01-01

    We present a novel design, fabrication, and characterization of reflecting gratings for long-range surface plasmon polaritons (LR-SPPs) at telecom wavelengths. LR-SPP waveguides consisting of a thin (12 nm) gold film embedded in a thick (45 μm) layer of dielectric polymer cladding are structured...

  4. Force induced unzipping of DNA with long range correlated noise

    International Nuclear Information System (INIS)

    Lam, Pui-Man; Zhen, Yi

    2011-01-01

    We derive and solve a Fokker–Planck equation for the stationary distribution of the free energy, in a model of unzipping of double-stranded DNA under external force. The autocorrelation function of the random DNA sequence can be of a general form, including long range correlations. In the case of Ornstein–Uhlenbeck noise, characterized by a finite correlation length, our result reduces to the exact result of Allahverdyan et al, with the average number of unzipped base pairs going as (X) ∼ 1/f 2 in the white noise limit, where f is the deviation from the critical force. In the case of long range correlated noise, where the integrated autocorrelation is divergent, we find that (X) is finite at f = 0, with its value decreasing as the correlations become of longer range. This shows that long range correlations actually stabilize the DNA sequence against unzipping. Our result is also in agreement with the findings of Allahverdyan et al obtained using numerical generation of the long range correlated noise

  5. Netherlands Army Long Range Anti Armour Study - Status Report

    NARCIS (Netherlands)

    Schagen, P.A.B. van

    1989-01-01

    At the end of the nineties the munition for the TOW weapon system in use at The Netherlands army, has to be replaced. The Life of Type of The Tow carrier ends in 2005. The long range anti armour study is to gain insight into the possibilities and limitations for the Netherlands army to deploy future

  6. Long range node-strut analysis of trabecular bone microarchitecture

    DEFF Research Database (Denmark)

    Schmah, Tanya; Marwan, Norbert; Thomsen, Jesper Skovhus

    2011-01-01

    PURPOSE: We present a new morphometric measure of trabecular bone microarchitecture, called mean node strength (NdStr), which is part of a newly developed approach called long range node-strut analysis. Our general aim is to describe and quantify the apparent "latticelike" microarchitecture of th...

  7. Helioseismology with long-range dark matter-baryon interactions

    DEFF Research Database (Denmark)

    Lopes, I.; Panci, Paolo; Silk, J.

    2014-01-01

    Assuming the existence of a primordial asymmetry in the dark sector, we study how long-range dark matter (DM)-baryon interactions, induced by the kinetic mixing of a new U(1) gauge boson and a photon, affect the evolution of the Sun and, in turn, the sound speed the profile obtained from...

  8. Long-range interactions in dilute granular systems

    NARCIS (Netherlands)

    Müller, M.K

    2008-01-01

    In this thesis, on purpose, we focussed on the most challenging, longest ranging potentials. We analyzed granular media of low densities obeying 1/r long-range interaction potentials between the granules. Such systems are termed granular gases and differ in their behavior from ordinary gases by

  9. Singularities of elastic scattering amplitude by long-range potentials

    International Nuclear Information System (INIS)

    Kvitsinsky, A.A.; Komarov, I.V.; Merkuriev, S.P.

    1982-01-01

    The angular peculiarities and the zero energy singularities of the elastic scattering amplitude by a long-range potential are described. The singularities of the elastic (2 → 2) scattering amplitude for a system of three Coulomb particles are considered [ru

  10. Long-range contributions to double beta decay revisited

    Energy Technology Data Exchange (ETDEWEB)

    Helo, J.C. [Universidad Técnica Federico Santa María, Centro-Científico-Tecnológico de Valparaíso,Casilla 110-V, Valparaíso (Chile); Departamento de Física, Facultad de Ciencias, Universidad de La Serena, Avenida Cisternas 1200, La Serena (Chile); Hirsch, M. [HEP Group, Instituto de Física Corpuscular,C.S.I.C./Universitat de València Edificio Institutos de Investigacion,Parc Cientific de Paterna, Apartado 22085, E-46071 València (Spain); Ota, T. [Department of Physics, Saitama University,Shimo-Okubo 255, 338-8570 Saitama-Sakura (Japan)

    2016-06-01

    We discuss the systematic decomposition of all dimension-7 (d=7) lepton number violating operators. These d=7 operators produce momentum enhanced contributions to the long-range part of the 0νββ decay amplitude and thus are severely constrained by existing half-live limits. In our list of possible models one can find contributions to the long-range amplitude discussed previously in the literature, such as the left-right symmetric model or scalar leptoquarks, as well as some new models not considered before. The d=7 operators generate Majorana neutrino mass terms either at tree-level, 1-loop or 2-loop level. We systematically compare constraints derived from the mass mechanism to those derived from the long-range 0νββ decay amplitude and classify our list of models accordingly. We also study one particular example decomposition, which produces neutrino masses at 2-loop level, can fit oscillation data and yields a large contribution to the long-range 0νββ decay amplitude, in some detail.

  11. Strategic Long Range Planning for Universities. AIR Forum 1980 Paper.

    Science.gov (United States)

    Baker, Michael E.

    The use of strategic long-range planning at Carnegie-Mellon University (CMU) is discussed. A structure for strategic planning analysis that integrates existing techniques is presented, and examples of planning activities at CMU are included. The key concept in strategic planning is competitive advantage: if a university has a competitive…

  12. Long range planning of radiotherapy facilities in the Netherlands

    NARCIS (Netherlands)

    Postma, T.J.B.M.; Terpstra, S.

    2000-01-01

    The subject of this paper is long range planning or policy development for healthcare in the Netherlands. Especially the co-ordinating function of planning will be discussed. In healthcare different actors or stakeholders are involved. Each of these actors may have their own interests, expectations,

  13. A molecular shift register based on electron transfer

    Science.gov (United States)

    Hopfield, J. J.; Onuchic, Josenelson; Beratan, David N.

    1988-01-01

    An electronic shift-register memory at the molecular level is described. The memory elements are based on a chain of electron-transfer molecules and the information is shifted by photoinduced electron-transfer reactions. This device integrates designed electronic molecules onto a very large scale integrated (silicon microelectronic) substrate, providing an example of a 'molecular electronic device' that could actually be made. The design requirements for such a device and possible synthetic strategies are discussed. Devices along these lines should have lower energy usage and enhanced storage density.

  14. Dissociative electron attachment and charge transfer in condensed matter

    International Nuclear Information System (INIS)

    Bass, A.D.; Sanche, L.

    2003-01-01

    Experiments using energy-selected beams of electrons incident from vacuum upon thin vapour deposited solids show that, as in the gas-phase, scattering cross sections at low energies are dominated by the formation of temporary negative ions (or resonances) and that molecular damage may be effected via dissociative electron attachment (DEA). Recent results also show that charge transfer between anionic states of target molecules and their environment is often crucial in determining cross sections for electron driven processes. Here, we review recent work from our laboratory, in which charge transfer is observed. For rare gas solids, electron exchange between the electron-exciton complex and either a metal substrate or co-adsorbed molecule enhances the desorption of metastable atoms and/or molecular dissociation. We discuss how transient electron capture by surface electron states of a substrate and subsequent electron transfer to a molecular adsorbate enhances the effective cross sections for DEA. We also consider the case of DEA to CF 2 Cl 2 condensed on water and ammonia ices, where electron exchange between pre-solvated electron states of ice and transient molecular anions can also increase DEA cross sections. Electron transfer from molecular resonances into pre-solvated electron states of ice is also discussed

  15. Electron transfer and decay processes of highly charged iodine ions

    International Nuclear Information System (INIS)

    Sakaue, Hiroyuki A.; Danjo, Atsunori; Hosaka, Kazumoto

    2005-01-01

    In the present experimental work we have investigated multi-electron transfer processes in I q+ (q=10, 15, 20 and 25) + Ne, Ar, Kr and Xe collisions at 1.5q keV energy. The branching ratios between Auger and radiative decay channels have been measured in decay processes of multiply excited states formed by multi-electron transfer collisions. It has been shown that, in all the multi-electron transfer processes investigated, the Auger decays are far dominant over the radiative decay processes and the branching ratios are clearly characterized by the average principal quantum number of the initial excited states of projectile ions. We could express the branching ratios in high Rydberg states formed in multi-electron transfer processes by using the decay probability of one Auger electron emission. (author)

  16. Photoinduced electron transfer between benzyloxy dendrimer phthalocyanine and benzoquinone

    Science.gov (United States)

    Zhang, Tiantian; Ma, Dongdong; Pan, Sujuan; Wu, Shijun; Jiang, Yufeng; Zeng, Di; Yang, Hongqin; Peng, Yiru

    2016-10-01

    Photo-induced electron transfer (PET) is an important and fundamental process in natural photosynthesis. To mimic such interesting PET process, a suitable donor and acceptor couple were properly chosen. Dendrimer phthalocyanines and their derivatives have emerged as promising materials for artificial photosynthesis systems. In this paper, the electron transfer between the light harvest dendrimer phthalocyanine (donor) and the 1,4-benzoquinone (acceptor) was studied by UV/Vis and fluorescence spectroscopic methods. It was found that fluorescence of phthalocyanine was quenched by benzoquinone (BQ) via excited state electron transfer, from the phthalocyanine to the BQ upon excitation at 610 nm. The Stern-Volmer constant (KSV) of electron transfer was calculated. Our study suggests that this dendritic phthalocyanine is an effective new electron donor and transmission complex and could be used as a potential artificial photosynthesis system.

  17. Probing the role of long-range interactions in the dynamics of a long-range Kitaev chain

    Science.gov (United States)

    Dutta, Anirban; Dutta, Amit

    2017-09-01

    We study the role of long-range interactions (more precisely, the long-range superconducting gap term) on the nonequilibrium dynamics considering a long-range p -wave superconducting chain in which the superconducting term decays with distance between two sites in a power-law fashion characterized by an exponent α . We show that the Kibble-Zurek scaling exponent, dictating the power-law decay of the defect density in the final state reached following a slow (in comparison to the time scale associated with the minimum gap in the spectrum of the Hamiltonian) quenching of the chemical potential μ across a quantum critical point, depends nontrivially on the exponent α as long as α 2 , we find that the exponent saturates to the corresponding well-known value of 1 /2 expected for the short-range model. Furthermore, studying the dynamical quantum phase transitions manifested in the nonanalyticities in the rate function of the return possibility I (t ) in subsequent temporal evolution following a sudden change in μ , we show the existence of a new region; in this region, we find three instants of cusp singularities in I (t ) associated with a single sector of Fisher zeros. Notably, the width of this region shrinks as α increases and vanishes in the limit α →2 , indicating that this special region is an artifact of the long-range nature of the Hamiltonian.

  18. Long-Range Research Plan, FY 1985-FY 1989

    International Nuclear Information System (INIS)

    1984-09-01

    The Long-Range Research Plan (LRRP) was prepared by the Office of Nuclear Regulatory Research (RES) to assist the NRC in coordinating its long-range research planning with the short-range budget cycles. The LRRP lays out programmatic approaches for research to help resolve regulatory issues. The plan will be updated annually. This document is divided into the following sections: operating reactor inspection, maintenance, and repair; equipment qualification; seismic research; reactor operations and risk; thermal-hydraulic transients; severe accidents; advanced concepts; radiation protection and health effects; and waste management. The following are also listed as appendices: unresolved safety issues and TMI action plan items, priorities for research program, research program outline, and research utilization report. A glossary of acronyms is included

  19. Conformal Invariance in the Long-Range Ising Model

    CERN Document Server

    Paulos, Miguel F; van Rees, Balt C; Zan, Bernardo

    2016-01-01

    We consider the question of conformal invariance of the long-range Ising model at the critical point. The continuum description is given in terms of a nonlocal field theory, and the absence of a stress tensor invalidates all of the standard arguments for the enhancement of scale invariance to conformal invariance. We however show that several correlation functions, computed to second order in the epsilon expansion, are nontrivially consistent with conformal invariance. We proceed to give a proof of conformal invariance to all orders in the epsilon expansion, based on the description of the long-range Ising model as a defect theory in an auxiliary higher-dimensional space. A detailed review of conformal invariance in the d-dimensional short-range Ising model is also included and may be of independent interest.

  20. Conformal invariance in the long-range Ising model

    Directory of Open Access Journals (Sweden)

    Miguel F. Paulos

    2016-01-01

    Full Text Available We consider the question of conformal invariance of the long-range Ising model at the critical point. The continuum description is given in terms of a nonlocal field theory, and the absence of a stress tensor invalidates all of the standard arguments for the enhancement of scale invariance to conformal invariance. We however show that several correlation functions, computed to second order in the epsilon expansion, are nontrivially consistent with conformal invariance. We proceed to give a proof of conformal invariance to all orders in the epsilon expansion, based on the description of the long-range Ising model as a defect theory in an auxiliary higher-dimensional space. A detailed review of conformal invariance in the d-dimensional short-range Ising model is also included and may be of independent interest.

  1. Long-range hybrid ridge and trench plasmonic waveguides

    Energy Technology Data Exchange (ETDEWEB)

    Bian, Yusheng [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Gong, Qihuang, E-mail: qhgong@pku.edu.cn [State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100871 (China)

    2014-06-23

    We report a class of long-range hybrid plasmon polariton waveguides capable of simultaneously achieving low propagation loss and tight field localization at telecommunication wavelength. The symmetric (quasi-symmetric) hybrid configurations featuring high-refractive-index-contrast near the non-uniform metallic nanostructures enable significantly improved optical performance over conventional hybrid waveguides, exhibiting considerably longer propagation distances and dramatically enhanced figure of merits for similar degrees of confinement. Compared to their traditional long-range plasmonic counterparts, the proposed hybrid waveguides put much less stringent requirements on index-matching conditions, demonstrating nice performance under a wide range of physical dimensions and robust characteristics against certain fabrication imperfections. Studies concerning crosstalk between adjacent identical waveguides further reveal their potential for photonic integrations. In addition, alternative configurations with comparable guiding properties to the structures in our case studies are also proposed, which can potentially serve as attractive prototypes for numerous high-performance nanophotonic components.

  2. Long range order and giant components of quantum random graphs

    CERN Document Server

    Ioffe, D

    2006-01-01

    Mean field quantum random graphs give a natural generalization of classical Erd\\H{o}s-R\\'{e}nyi percolation model on complete graph $G_N$ with $p =\\beta /N$. Quantum case incorporates an additional parameter $\\lambda\\geq 0$, and the short-long range order transition should be studied in the $(\\beta ,\\lambda)$-quarter plane. In this work we explicitly compute the corresponding critical curve $\\gamma_c$, and derive results on two-point functions and sizes of connected components in both short and long range order regions. In this way the classical case corresponds to the limiting point $(\\beta_c ,0) = (1,0)$ on $\\gamma_c$.

  3. Long-range correlations and universality in plasma edge turbulence

    International Nuclear Information System (INIS)

    Milligen, B.Ph. van; Pedrosa, M.A.; Carreras, B.A.

    1999-01-01

    Long-range correlations in turbulence, associated with self-similarity of the fluctuations, are a signature of transport by avalanches as occurs in Self-Organized Critical systems. We have investigated long-range correlations in plasma edge fluctuations in a variety of fusion devices, using the Rescaled-Range and similar techniques. We find that the degree of self-similarity in confining devices is high and similar between devices, and much different from non-confining devices where it is low. Likewise, we find that turbulent spectra show a high degree of similarity between devices. These findings strongly indicate the existence of universality in plasma edge (ohmic) turbulence, and demonstrate its non-Gaussian character. (author)

  4. Long-range analysis of density fitting in extended systems

    Science.gov (United States)

    Varga, Scarontefan

    Density fitting scheme is analyzed for the Coulomb problem in extended systems from the correctness of long-range behavior point of view. We show that for the correct cancellation of divergent long-range Coulomb terms it is crucial for the density fitting scheme to reproduce the overlap matrix exactly. It is demonstrated that from all possible fitting metric choices the Coulomb metric is the only one which inherently preserves the overlap matrix for infinite systems with translational periodicity. Moreover, we show that by a small additional effort any non-Coulomb metric fit can be made overlap-preserving as well. The problem is analyzed for both ordinary and Poisson basis set choices.

  5. Conformal invariance in the long-range Ising model

    Energy Technology Data Exchange (ETDEWEB)

    Paulos, Miguel F. [CERN, Theory Group, Geneva (Switzerland); Rychkov, Slava, E-mail: slava.rychkov@lpt.ens.fr [CERN, Theory Group, Geneva (Switzerland); Laboratoire de Physique Théorique de l' École Normale Supérieure (LPTENS), Paris (France); Faculté de Physique, Université Pierre et Marie Curie (UPMC), Paris (France); Rees, Balt C. van [CERN, Theory Group, Geneva (Switzerland); Zan, Bernardo [Institute of Physics, Universiteit van Amsterdam, Amsterdam (Netherlands)

    2016-01-15

    We consider the question of conformal invariance of the long-range Ising model at the critical point. The continuum description is given in terms of a nonlocal field theory, and the absence of a stress tensor invalidates all of the standard arguments for the enhancement of scale invariance to conformal invariance. We however show that several correlation functions, computed to second order in the epsilon expansion, are nontrivially consistent with conformal invariance. We proceed to give a proof of conformal invariance to all orders in the epsilon expansion, based on the description of the long-range Ising model as a defect theory in an auxiliary higher-dimensional space. A detailed review of conformal invariance in the d-dimensional short-range Ising model is also included and may be of independent interest.

  6. Travel: a long-range goal of retired women.

    Science.gov (United States)

    Staats, Sara; Pierfelice, Loretta

    2003-09-01

    The authors surveyed retired persons (predominately women) with regard to their immediate, intermediate, and long-range activities following retirement. As predicted, leisure travel emerged as a frequent long-range goal for persons retired more than 5 years. The travel activity preferences of long-retired older women present challenges and opportunities to both researchers and marketers. Length of trips and frequency of trips have been predicted from regression models, with trip length in particular being well predicted by the problem of daily life hassles. A theoretical model of continued post-retirement travel is presented as a variant of Solomon's opponent process theory of affect (R. L. Solomon, 1980). The authors suggest that to the degree that places traveled to are varied and different, older people may remain stimulated and continue to enjoy retirement.

  7. SEGMENTATION AND QUALITY ANALYSIS OF LONG RANGE CAPTURED IRIS IMAGE

    Directory of Open Access Journals (Sweden)

    Anand Deshpande

    2016-05-01

    Full Text Available The iris segmentation plays a major role in an iris recognition system to increase the performance of the system. This paper proposes a novel method for segmentation of iris images to extract the iris part of long range captured eye image and an approach to select best iris frame from the iris polar image sequences by analyzing the quality of iris polar images. The quality of iris image is determined by the frequency components present in the iris polar images. The experiments are carried out on CASIA-long range captured iris image sequences. The proposed segmentation method is compared with Hough transform based segmentation and it has been determined that the proposed method gives higher accuracy for segmentation than Hough transform.

  8. Long-range correlation analysis of urban traffic data

    International Nuclear Information System (INIS)

    Peng, Sheng; Jun-Feng, Wang; Shu-Long, Zhao; Tie-Qiao, Tang

    2010-01-01

    This paper investigates urban traffic data by analysing the long-range correlation with detrended fluctuation analysis. Through a large number of real data collected by the travel time detection system in Beijing, the variation of flow in different time periods and intersections is studied. According to the long-range correlation in different time scales, it mainly discusses the effect of intersection location in road net, people activity customs and special traffic controls on urban traffic flow. As demonstrated by the obtained results, the urban traffic flow represents three-phase characters similar to highway traffic. Moreover, compared by the two groups of data obtained before and after the special traffic restrictions (vehicles with special numbered plates only run in a special workday) enforcement, it indicates that the rules not only reduce the flow but also avoid irregular fluctuation. (general)

  9. Fast long-range connections in transportation networks

    International Nuclear Information System (INIS)

    Palhares Viana, Matheus; Fontoura Costa, Luciano da

    2011-01-01

    Multidimensional scaling is applied in order to visualize an analogue of the small-world effect implied by edges having different displacement velocities in transportation networks. Our findings are illustrated for two real-world systems, namely the London urban network (streets and underground) and the US highway network enhanced by some of the main US airlines routes. We also show that the travel time in these two networks is drastically changed by attacks targeting the edges with large displacement velocities. - Highlights: → Multidimensional scaling used to visualize the effects of fast long-range connections. → Fast long-range connections are important to decrease the average travel time. → The average travel time diverges quickly when the network is under target attacks.

  10. Long range correlations, event simulation and parton percolation

    International Nuclear Information System (INIS)

    Pajares, C.

    2011-01-01

    We study the RHIC data on long range rapidity correlations, comparing their main trends with different string model simulations. Particular attention is paid to color percolation model and its similarities with color glass condensate. As both approaches corresponds, at high density, to a similar physical picture, both of them give rise to a similar behavior on the energy and the centrality of the main observables. Color percolation explains the transition from low density to high density.

  11. Long range anti-ferromagnetic spin model for prebiotic evolution

    International Nuclear Information System (INIS)

    Nokura, Kazuo

    2003-01-01

    I propose and discuss a fitness function for one-dimensional binary monomer sequences of macromolecules for prebiotic evolution. The fitness function is defined by the free energy of polymers in the high temperature random coil phase. With repulsive interactions among the same kind of monomers, the free energy in the high temperature limit becomes the energy function of the one-dimensional long range anti-ferromagnetic spin model, which is shown to have a dynamical phase transition and glassy states

  12. Regional and long-range transport of air pollution

    International Nuclear Information System (INIS)

    Sandroni, S.

    1987-01-01

    The Course lectures presented are organised in four sections: atmospheric transport, conversion, deposition of atmospheric trace constituents and associated problems; conventional and sophisticated techniques for atmospheric sounding (e.g., Sodar, Lidar, Cospec, tetroons, instrument-carrying aircraft) and simulation techniques (non-reactive tracers); models available for various applications (long-range episodes, long-term averages, photochemical and deposition processes); a comparison of performances of different models and the linearity problem in the formation of acid deposition

  13. Long-range and head-on beam-beam compensation studies in RHIC with lessons for the LHC

    International Nuclear Information System (INIS)

    Fischer, W.; Luo, Y.; Abreu, N.; Calaga, R.; Montag, C.; Robert-Demolaize, G.; Dorda, U.; Koutchouk, J.-P.; Sterbini, G.; Zimmermann, F.; Kim, H.-J.; Sen, T.; Shiltsev, V.; Valishev, A.; Qiang, J.; Kabel, A.

    2009-01-01

    Long-range as well as head-on beam-beam effects are expected to limit the LHC performance with design parameters. They are also important consideration for the LHC upgrades. To mitigate long-range effects, current carrying wires parallel to the beam were proposed. Two such wires are installed in RHIC where they allow studying the effect of strong long-range beam-beam effects, as well as the compensation of a single long-range interaction. The tests provide benchmark data for simulations and analytical treatments. Electron lenses were proposed for both RHIC and the LHC to reduce the head-on beam-beam effect. We present the experimental long-range beam-beam program at RHIC and report on head-on compensations studies based on simulations

  14. ENSEMBLE methods to reconcile disparate national long range dispersion forecasting

    Energy Technology Data Exchange (ETDEWEB)

    Mikkelsen, T; Galmarini, S; Bianconi, R; French, S [eds.

    2003-11-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparate national forecasts for long-range dispersion. ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an accidental atmospheric release of radioactive material. A series of new decision-making 'ENSEMBLE' procedures and Web-based software evaluation and exchange tools have been created for real-time reconciliation and harmonisation of real-time dispersion forecasts from meteorological and emergency centres across Europe during an accident. The new ENSEMBLE software tools is available to participating national emergency and meteorological forecasting centres, which may choose to integrate them directly into operational emergency information systems, or possibly use them as a basis for future system development. (au)

  15. ENSEMBLE methods to reconcile disparate national long range dispersion forecasting

    Energy Technology Data Exchange (ETDEWEB)

    Mikkelsen, T.; Galmarini, S.; Bianconi, R.; French, S. (eds.)

    2003-11-01

    ENSEMBLE is a web-based decision support system for real-time exchange and evaluation of national long-range dispersion forecasts of nuclear releases with cross-boundary consequences. The system is developed with the purpose to reconcile among disparate national forecasts for long-range dispersion. ENSEMBLE addresses the problem of achieving a common coherent strategy across European national emergency management when national long-range dispersion forecasts differ from one another during an accidental atmospheric release of radioactive material. A series of new decision-making 'ENSEMBLE' procedures and Web-based software evaluation and exchange tools have been created for real-time reconciliation and harmonisation of real-time dispersion forecasts from meteorological and emergency centres across Europe during an accident. The new ENSEMBLE software tools is available to participating national emergency and meteorological forecasting centres, which may choose to integrate them directly into operational emergency information systems, or possibly use them as a basis for future system development. (au)

  16. Laser long-range remote-sensing program experimental results

    Science.gov (United States)

    Highland, Ronald G.; Shilko, Michael L.; Fox, Marsha J.; Gonglewski, John D.; Czyzak, Stanley R.; Dowling, James A.; Kelly, Brian; Pierrottet, Diego F.; Ruffatto, Donald; Loando, Sharon; Matsuura, Chris; Senft, Daniel C.; Finkner, Lyle; Rae, Joe; Gallegos, Joe

    1995-12-01

    A laser long range remote sensing (LRS) program is being conducted by the United States Air Force Phillips Laboratory (AF/PL). As part of this program, AF/PL is testing the feasibility of developing a long path CO(subscript 2) laser-based DIAL system for remote sensing. In support of this program, the AF/PL has recently completed an experimental series using a 21 km slant- range path (3.05 km ASL transceiver height to 0.067 km ASL target height) at its Phillips Laboratory Air Force Maui Optical Station (AMOS) facility located on Maui, Hawaii. The dial system uses a 3-joule, (superscript 13)C isotope laser coupled into a 0.6 m diameter telescope. The atmospheric optical characterization incorporates information from an infrared scintillometer co-aligned to the laser path, atmospheric profiles from weather balloons launched from the target site, and meteorological data from ground stations at AMOS and the target site. In this paper, we report a description of the experiment configuration, a summary of the results, a summary of the atmospheric conditions and their implications to the LRS program. The capability of such a system for long-range, low-angle, slant-path remote sensing is discussed. System performance issues relating to both coherent and incoherent detection methods, atmospheric limitations, as well as, the development of advanced models to predict performance of long range scenarios are presented.

  17. Segmentation of time series with long-range fractal correlations

    Science.gov (United States)

    Bernaola-Galván, P.; Oliver, J.L.; Hackenberg, M.; Coronado, A.V.; Ivanov, P.Ch.; Carpena, P.

    2012-01-01

    Segmentation is a standard method of data analysis to identify change-points dividing a nonstationary time series into homogeneous segments. However, for long-range fractal correlated series, most of the segmentation techniques detect spurious change-points which are simply due to the heterogeneities induced by the correlations and not to real nonstationarities. To avoid this oversegmentation, we present a segmentation algorithm which takes as a reference for homogeneity, instead of a random i.i.d. series, a correlated series modeled by a fractional noise with the same degree of correlations as the series to be segmented. We apply our algorithm to artificial series with long-range correlations and show that it systematically detects only the change-points produced by real nonstationarities and not those created by the correlations of the signal. Further, we apply the method to the sequence of the long arm of human chromosome 21, which is known to have long-range fractal correlations. We obtain only three segments that clearly correspond to the three regions of different G + C composition revealed by means of a multi-scale wavelet plot. Similar results have been obtained when segmenting all human chromosome sequences, showing the existence of previously unknown huge compositional superstructures in the human genome. PMID:23645997

  18. Segmentation of time series with long-range fractal correlations.

    Science.gov (United States)

    Bernaola-Galván, P; Oliver, J L; Hackenberg, M; Coronado, A V; Ivanov, P Ch; Carpena, P

    2012-06-01

    Segmentation is a standard method of data analysis to identify change-points dividing a nonstationary time series into homogeneous segments. However, for long-range fractal correlated series, most of the segmentation techniques detect spurious change-points which are simply due to the heterogeneities induced by the correlations and not to real nonstationarities. To avoid this oversegmentation, we present a segmentation algorithm which takes as a reference for homogeneity, instead of a random i.i.d. series, a correlated series modeled by a fractional noise with the same degree of correlations as the series to be segmented. We apply our algorithm to artificial series with long-range correlations and show that it systematically detects only the change-points produced by real nonstationarities and not those created by the correlations of the signal. Further, we apply the method to the sequence of the long arm of human chromosome 21, which is known to have long-range fractal correlations. We obtain only three segments that clearly correspond to the three regions of different G + C composition revealed by means of a multi-scale wavelet plot. Similar results have been obtained when segmenting all human chromosome sequences, showing the existence of previously unknown huge compositional superstructures in the human genome.

  19. Long-Range Piping Inspection by Ultrasonic Guided Waves

    International Nuclear Information System (INIS)

    Joo, Young Sang; Lim, Sa Hoe; Eom, Heung Seop; Kim, Jae Hee

    2005-01-01

    The ultrasonic guided waves are very promising for the long-range inspection of large structures because they can propagate a long distance along the structures such as plates, shells and pipes. The guided wave inspection could be utilized for an on-line monitoring technique when the transmitting and receiving transducers are positioned at a remote point on the structure. The received signal has the information about the integrity of the monitoring area between the transmitting and receiving transducers. On-line monitoring of a pipe line using an ultrasonic guided wave can detect flaws such as corrosion, erosion and fatigue cracking at an early stage and collect useful information on the flaws. However the guided wave inspection is complicated by the dispersive characteristics for guided waves. The phase and group velocities are a function of the frequency-thickness product. Therefore, the different frequency components of the guided waves will travel at different speeds and the shape of the received signal will changed as it propagates along the pipe. In this study, we analyze the propagation characteristics of guided wave modes in a small diameter pipe of nuclear power plant and select the suitable mode for a long-range inspection. And experiments will be carried out for the practical application of a long-range inspection in a 26m long pipe by using a high-power ultrasonic inspection system

  20. Extracellular electron transfer mechanisms between microorganisms and minerals

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Liang; Dong, Hailiang; Reguera, Gemma; Beyenal, Haluk; Lu, Anhuai; Liu, Juan; Yu, Han-Qing; Fredrickson, James K.

    2016-08-30

    Electrons can be transferred from microorganisms to multivalent metal ions that are associated with minerals and vice versa. As the microbial cell envelope is neither physically permeable to minerals nor electrically conductive, microorganisms have evolved strategies to exchange electrons with extracellular minerals. In this Review, we discuss the molecular mechanisms that underlie the ability of microorganisms to exchange electrons, such as c-type cytochromes and microbial nanowires, with extracellular minerals and with microorganisms of the same or different species. Microorganisms that have extracellular electron transfer capability can be used for biotechnological applications, including bioremediation, biomining and the production of biofuels and nanomaterials.

  1. Photoinduced electron transfer in some photosensitive molecules ...

    Indian Academy of Sciences (India)

    Unknown

    redox reactions of substrates like biological molecules,11,12 dyes,13,14 alcohols15,16 etc. Colloidal ... state which is characterised by a phenomenon of dual fluorescence. In the present ... The dried solid was transferred to quartz cell under vacuum ... Recently Grätzel et al34 have developed the dye-sensitized meso-.

  2. Theoretical aspects of electron transfer reactions of complex molecules

    DEFF Research Database (Denmark)

    Kuznetsov, A. M.; Ulstrup, Jens

    2001-01-01

    Features of electron transfer involving complex molecules are discussed. This notion presently refers to molecular reactants where charge transfer is accompanied by large molecular reorganization, and commonly used displaced harmonic oscillator models do not apply. It is shown that comprehensive...... theory of charge transfer in polar media offers convenient tools for the treatment of experimental data for such systems, with due account of large-amplitude strongly anharmonic intramolecular reorganization. Equations for the activation barrier and free energy relationships are provided, incorporating...

  3. Stark-like electron transfer between quantum wells

    International Nuclear Information System (INIS)

    Dubovis, S.A.; Voronko, A.N.; Basharov, A.M.

    2008-01-01

    The Stark-like mechanism of electron transfer between two energy subband localized in remote quantum wells is examined theoretically. Estimations of major parameters of the problem in case of delta-function-wells model are adduced. Schematic model allowing experimental study of Stark-like transfer is proposed

  4. Distorted wave calculations for double electron transfer

    International Nuclear Information System (INIS)

    Martinez, A.E.; Rivarola, R.D.; Gayet, R.; Hanssen, J.

    1992-01-01

    The resonant double electron capture by alpha particles in helium targets is studied, at intermediate and high collision energies, using the Continuum Distorted Wave - Eikonal Initial State (CDW-EIS) model. Differential and total cross sections for capture into the He (1 s 2 ) final state are calculated in the framework of an Independent Electron Approximation (IEA). Theoretical results are compared with the experimental data available at present for capture into any final state of helium. (author)

  5. Laser pulse control of bridge mediated heterogeneous electron transfer

    International Nuclear Information System (INIS)

    Wang Luxia; May, Volkhard

    2009-01-01

    Ultrafast heterogeneous electron transfer from surface attached dye molecules into semiconductor band states is analyzed. The focus is on systems where the dye is separated from the surface by different bridge anchor groups. To simulate the full quantum dynamics of the transfer process a model of reduced dimensionality is used. It comprises the electronic levels of the dye, the bridge anchor group electronic levels and the continuum of semiconductor band states, all defined versus a single intramolecular vibrational coordinate. The effect of the bridge states is demonstrated, firstly, in studying the injection dynamics following an impulsive excitation of the dye. Then, by discussing different control tasks it is demonstrate in which way the charge injection process can be influenced by tailored laser pulses. To highlight the importance of electron wave function interference emphasis is put on asymmetric two-bridge molecule systems which are also characterized by different and complex valued electronic transfer matrix elements.

  6. Computational Approach to Electron Charge Transfer Reactions

    DEFF Research Database (Denmark)

    Jónsson, Elvar Örn

    -molecular mechanics scheme, and tools to analyse statistical data and generate relative free energies and free energy surfaces. The methodology is applied to several charge transfer species and reactions in chemical environments - chemical in the sense that solvent, counter ions and substrate surfaces are taken...... in to account - which directly influence the reactants and resulting reaction through both physical and chemical interactions. All methods are though general and can be applied to different types of chemistry. First, the basis of the various theoretical tools is presented and applied to several test systems...... and asymmetric charge transfer reactions between several first-row transition metals in water. The results are compared to experiments and rationalised with classical analytic expressions. Shortcomings of the methods are accounted for with clear steps towards improved accuracy. Later the analysis is extended...

  7. Intramolecular photoinduced electron-transfer in azobenzene-perylene diimide

    International Nuclear Information System (INIS)

    Feng Wen-Ke; Wang Shu-Feng; Gong Qi-Huang; Feng Yi-Yu; Feng Wei; Yi Wen-Hui

    2010-01-01

    This paper studies the intramolecular photoinduced electron-transfer (PET) of covalent bonded azobenzene-perylene diimide (AZO-PDI) in solvents by using steady-state and time-resolved fluorescence spectroscopy together with ultrafast transient absorption spectroscopic techniques. Fast fluorescence quenching is observed when AZO-PDI is excited at characteristic wavelengths of AZO and perylene moieties. Reductive electron-transfer with transfer rate faster than 10 11 s −1 is found. This PET process is also consolidated by femtosecond transient absorption spectra

  8. Electron transfer reactions in microporous solids

    Energy Technology Data Exchange (ETDEWEB)

    Mallouk, T.E.

    1993-01-01

    Basic thrust the research program involves use of microporous solids (zeolites, clays, layered and tunnel structure oxide semiconductors) as organizing media for artificial photosynthetic systems. Purpose of the microporous solid is twofold. First, it induces spatial organization of photoactive and electroactive components (sensitizers, semiconductor particles, electron relays, and catalysts) at the solid-solution interface, enhancing the quantum efficiency of charge separation and separating physically the ultimate electron donor and acceptor in the electron transport chain. Second, since the microcrystalline solid admits only molecules of a certain charge and size, it is possible to achieve permanent charge separation by sieving chemical photoproducts (e.g., H[sub 2] and I[sub 3][sup [minus

  9. Modelling control of epidemics spreading by long-range interactions.

    Science.gov (United States)

    Dybiec, Bartłomiej; Kleczkowski, Adam; Gilligan, Christopher A

    2009-10-06

    We have studied the spread of epidemics characterized by a mixture of local and non-local interactions. The infection spreads on a two-dimensional lattice with the fixed nearest neighbour connections. In addition, long-range dynamical links are formed by moving agents (vectors). Vectors perform random walks, with step length distributed according to a thick-tail distribution. Two distributions are considered in this paper, an alpha-stable distribution describing self-similar vector movement, yet characterized by an infinite variance and an exponential power characterized by a large but finite variance. Such long-range interactions are hard to track and make control of epidemics very difficult. We also allowed for cryptic infection, whereby an infected individual on the lattice can be infectious prior to showing any symptoms of infection or disease. To account for such cryptic spread, we considered a control strategy in which not only detected, i.e. symptomatic, individuals but also all individuals within a certain control neighbourhood are treated upon the detection of disease. We show that it is possible to eradicate the disease by using such purely local control measures, even in the presence of long-range jumps. In particular, we show that the success of local control and the choice of the optimal strategy depend in a non-trivial way on the dispersal patterns of the vectors. By characterizing these patterns using the stability index of the alpha-stable distribution to change the power-law behaviour or the exponent characterizing the decay of an exponential power distribution, we show that infection can be successfully contained using relatively small control neighbourhoods for two limiting cases for long-distance dispersal and for vectors that are much more limited in their dispersal range.

  10. Studies on electron transfer reactions of Keggin-type mixed ...

    Indian Academy of Sciences (India)

    Administrator

    (PV2) in aqueous phosphate buffer of pH 6 at ambient temperature. Electrochemical and optical studies show that the stoichiometry of the reaction is 1: 2 (NADH : HPA). EPR and optical studies show that HPA act as one electron acceptor and the products of electron transfer reactions are one elec- tron reduced heteropoly ...

  11. Quantum electron transfer processes induced by thermo-coherent ...

    Indian Academy of Sciences (India)

    WINTEC

    Thermo-coherent state; electron transfer; quantum rate. 1. Introduction. The study ... two surfaces,16 namely, one electron two-centered exchange problem,7–10 many ... temperature classical regime for the single and the two-mode cases have ...

  12. Toddlers' word learning and transfer from electronic and print books.

    Science.gov (United States)

    Strouse, Gabrielle A; Ganea, Patricia A

    2017-04-01

    Transfer from symbolic media to the real world can be difficult for young children. A sample of 73 toddlers aged 17 to 23months were read either an electronic book displayed on a touchscreen device or a traditional print book in which a novel object was paired with a novel label. Toddlers in both conditions learned the label within the context of the book. However, only those who read the traditional format book generalized and transferred the label to other contexts. An older group of 28 toddlers aged 24 to 30months did generalize and transfer from the electronic book. Across ages, those children who primarily used screens to watch prerecorded video at home transferred less from the electronic book than those with more diverse home media experiences. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. INEL D&D long-range plan

    Energy Technology Data Exchange (ETDEWEB)

    Buckland, R.J.; Kenoyer, D.J.; LaBuy, S.A.

    1995-09-01

    This Long-Range Plan presents the Decontamination and Dismantlement (D&D) Program planning status for facilities at the Idaho National Engineering Laboratory (INEL). The plan provides a general description of the D&D Program objectives, management criteria, and policy; discusses current activities; and documents the INEL D&D Program cost and schedule estimate projections for the next 15 years. Appendices are included that provide INEL D&D project historical information, a comprehensive descriptive summary of each current D&D surplus facility, and a summary database of all INEL contaminated facilities awaiting or undergoing the facility transition process.

  14. DIII-D tokamak long range plan. Revision 3

    International Nuclear Information System (INIS)

    1992-08-01

    The DIII-D Tokamak Long Range Plan for controlled thermonuclear magnetic fusion research will be carried out with broad national and international participation. The plan covers: (1) operation of the DIII-D tokamak to conduct research experiments to address needs of the US Magnetic Fusion Program; (2) facility modifications to allow these new experiments to be conducted; and (3) collaborations with other laboratories to integrate DIII-D research into the national and international fusion programs. The period covered by this plan is 1 November 19983 through 31 October 1998

  15. Photonic bandgap structures for long-range surface plasmon polaritons

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Boltasseva, Alexandra; Søndergaard, Thomas

    2005-01-01

    Propagation of long-range surface plasmon polaritons (LR-SPPs) along periodically thickness-modulated metal stripes embedded in dielectric is studied both theoretically and experimentally for light wavelengths in the telecom range. We demonstrate that symmetric (with respect to the film surface) nm......-size thickness variations result in the pronounced band gap effect, and obtain very good agreement between measured and simulated (transmission and reflection) spectra. This effect is exploited to realize a compact wavelength add-drop filter with the bandwidth of -20 nm centered at 1550 nm. The possibilities...

  16. Long-range interaction between dust grains in plasma

    Directory of Open Access Journals (Sweden)

    D.Yu. Mishagli

    2014-03-01

    Full Text Available The nature of long-range interactions between dust grains in plasma is discussed. The dust grain interaction potential within a cell model of dusty plasma is introduced. The attractive part of inter-grain potential is described by multipole interaction between two electro-neutral cells. This allowed us to draw an analogy with molecular liquids where attraction between molecules is determined by dispersion forces. Also main ideas of the fluctuation theory for electrostatic field in cell model are formulated, and the dominating contribution to attractive part of inter-grain potential is obtained.

  17. INEL D ampersand D Long-Range Plan

    International Nuclear Information System (INIS)

    Buckland, R.J.; Kenoyer, D.J.; Preussner, D.H.

    1993-10-01

    This Long-Range Plan presents the Decontamination and Decommissioning (D ampersand D) Program planning status for facilities at the Idaho National Engineering Laboratory (INEL). The plan provides a general description of the D ampersand D Program objectives, management criteria, and philosophy; discusses current activities; and documents the INEL D ampersand D Program cost and schedule estimate projections for the next 15 years. appendices are included that provide INEL D ampersand D project historical information and a comprehensive descriptive summary of each current surplus facility

  18. INEL D ampersand D long-range plan

    International Nuclear Information System (INIS)

    Buckland, R.J.; Kenoyer, D.J.; LaBuy, S.A.

    1995-09-01

    This Long-Range Plan presents the Decontamination and Dismantlement (D ampersand D) Program planning status for facilities at the Idaho National Engineering Laboratory (INEL). The plan provides a general description of the D ampersand D Program objectives, management criteria, and policy; discusses current activities; and documents the INEL D ampersand D Program cost and schedule estimate projections for the next 15 years. Appendices are included that provide INEL D ampersand D project historical information, a comprehensive descriptive summary of each current D ampersand D surplus facility, and a summary database of all INEL contaminated facilities awaiting or undergoing the facility transition process

  19. Political Mechanisms for Long-Range Survival and Development

    Science.gov (United States)

    Marshall, W.

    As the first species aware of extinction and capable of proactively ensuring our long-term survival and development, it is striking that we do not do so with the rigor, formality, and foresight it requires. Only from a reactive posture have we responded to the challenges of global warfare, human rights, environmental concerns, and sustainable development. Despite our awareness of the possibility for extinction and apocalyptic set-backs to our evolution, and despite the existence of long-range studies-which must still be dramatically increased-proactive global policy implementation regarding our long-term survival and development is arguably non-existent. This lack of long-term policy making can be attributed in part to the lack of formal political mechanisms to facilitate longer-range policy making that extends 30 years or more into the future. Political mechanisms for infusing long-range thinking, research, and strategic planning into the policy-making process can help correct this shortcoming and provide the motivation needed to adequately address long-term challenges with the political rigor required to effectively establish and implement long-term policies. There are some efforts that attempt to address longer-range issues, but those efforts often do not connect to the political process, do not extend 30 or more years into the future, are not well-funded, and are not sufficiently systemic. Political mechanisms for long-range survival and prosperity could correct these inadequacies by raising awareness, providing funding, and most importantly, leveraging political rigor to establish and enforce long-range strategic planning and policies. The feasibility of such mechanisms should first be rigorously studied and assessed in a feasibility study, which could then inform implementation. This paper will present the case for such a study and suggest some possible political mechanisms that should be investigated further in the proposed study. This work is being further

  20. Cross-correlation of long-range correlated series

    International Nuclear Information System (INIS)

    Arianos, Sergio; Carbone, Anna

    2009-01-01

    A method for estimating the cross-correlation C xy (τ) of long-range correlated series x(t) and y(t), at varying lags τ and scales n, is proposed. For fractional Brownian motions with Hurst exponents H 1 and H 2 , the asymptotic expression for C xy (τ) depends only on the lag τ (wide-sense stationarity) and scales as a power of n with exponent H 1 +H 2 for τ→0. The method is illustrated on: (i) financial series, to show the leverage effect; (ii) genomic sequences, to estimate the correlations between structural parameters along the chromosomes

  1. Finite temperature CPN-1 model and long range Neel order

    International Nuclear Information System (INIS)

    Ichinose, Ikuo; Yamamoto, Hisashi.

    1989-09-01

    We study in d space-dimensions the finite temperature behavior of long range Neel order (LRNO) in CP N-1 model as a low energy effective field theory of the antiferromagnetic Heisenberg model. For d≤1, or d≤2 at any nonzero temperature, LRNO disappears, in agreement with Mermin-Wagner-Coleman's theorem. For d=3 in the weak coupling region, LRNO exists below the critical temperature T N (Neel temperature). T N decreases as the interlayer coupling becomes relatively weak compared with that within Cu-O layers. (author)

  2. Integrated Optical Components Utilizing Long-Range Surface Plasmon Polaritons

    DEFF Research Database (Denmark)

    Boltasseva, Alexandra; Nikolajsen, Thomas; Leosson, Kristjan

    2005-01-01

    New optical waveguide technology for integrated optics, based on propagation of long-range surface plasmon polaritons (LR-SPPs) along metal stripes embedded in dielectric, is presented. Guiding and routing of electromagnetic radiation along nanometer-thin and micrometer-wide gold stripes embedded......), and a bend loss of ~5 dB for a bend radius of 15 mm are evaluated for 15-nm-thick and 8-mm-wide stripes at the wavelength of 1550 nm. LR-SPP-based 3-dB power Y-splitters, multimode interference waveguides, and directional couplers are demonstrated and investigated. At 1570 nm, coupling lengths of 1.9 and 0...

  3. Report on long range alpha detector (LRAD) performance tests

    International Nuclear Information System (INIS)

    Kobayashi, Hirohide; Unno, Motoyoshi; Ishikawa, Hisashi; Yoshida, Tadayoshi

    2002-10-01

    At present, alpha contamination measurement on objects is conducted with ZnS scintillation survey meter (direct method) and smear test (indirect method). But it is difficult to measure large and complicated objects by direct method. Long Range Alpha Detector (LRAD) was produced as a solution for this problem. We carried out performance tests of this LRAD. As a result of the performance tests, we confirmed the linear relation between the measurement values of LRAD and alpha-radioactivity on the surface of objects. (author)

  4. Long-range dependence and sea level forecasting

    CERN Document Server

    Ercan, Ali; Abbasov, Rovshan K

    2013-01-01

    This study shows that the Caspian Sea level time series possess long range dependence even after removing linear trends, based on analyses of the Hurst statistic, the sample autocorrelation functions, and the periodogram of the series. Forecasting performance of ARMA, ARIMA, ARFIMA and Trend Line-ARFIMA (TL-ARFIMA) combination models are investigated. The forecast confidence bands and the forecast updating methodology, provided for ARIMA models in the literature, are modified for the ARFIMA models. Sample autocorrelation functions are utilized to estimate the differencing lengths of the ARFIMA

  5. Heat transfer between adsorbate and laser-heated hot electrons

    International Nuclear Information System (INIS)

    Ueba, H; Persson, B N J

    2008-01-01

    Strong short laser pulses can give rise to a strong increase in the electronic temperature at metal surfaces. Energy transfer from the hot electrons to adsorbed molecules may result in adsorbate reactions, e.g. desorption or diffusion. We point out the limitations of an often used equation to describe the heat transfer process in terms of a friction coupling. We propose a simple theory for the energy transfer between the adsorbate and hot electrons using a newly introduced heat transfer coefficient, which depends on the adsorbate temperature. We calculate the transient adsorbate temperature and the reaction yield for a Morse potential as a function of the laser fluency. The results are compared to those obtained using a conventional heat transfer equation with temperature-independent friction. It is found that our equation of energy (heat) transfer gives a significantly lower adsorbate peak temperature, which results in a large modification of the reaction yield. We also consider the heat transfer between different vibrational modes excited by hot electrons. This mode coupling provides indirect heating of the vibrational temperature in addition to the direct heating by hot electrons. The formula of heat transfer through linear mode-mode coupling of two harmonic oscillators is applied to the recent time-resolved study of carbon monoxide and atomic oxygen hopping on an ultrafast laser-heated Pt(111) surface. It is found that the maximum temperature of the frustrated translation mode can reach high temperatures for hopping, even when direct friction coupling to the hot electrons is not strong enough

  6. Multifractal analysis of the long-range correlations in the cardiac dynamics of Drosophila melanogaster

    International Nuclear Information System (INIS)

    Vitanov, Nikolay K.; Yankulova, Elka D.

    2006-01-01

    By means of the multifractal detrended fluctuation analysis (MFDFA) we investigate long-range correlations in the interbeat time series of heart activity of Drosophila melanogaster-the classical object of research in genetics. Our main investigation tool are the fractal spectra f(α) and h(q) by means of which we trace the correlation properties of Drosophila heartbeat dynamics for three consequent generations of species. We observe that opposite to the case of humans the time series of the heartbeat activity of healthy Drosophila do not have scaling properties. Time series from species with genetic defects can be long-range correlated. Different kinds of genetic heart defects lead to different shape of the fractal spectra. The fractal heartbeat dynamics of Drosophila is transferred from generation to generation

  7. Electron transfer, ionization, and excitation atomic collisions

    International Nuclear Information System (INIS)

    Winter, T.G.; Alston, S.G.

    1990-01-01

    Basic atomic-collision processes at intermediate and high energies are being studied theoretically at Penn State by Alston and Winter. In the high velocity regime, single-electron capture is treated using a high order multiple-scattering approach; extensive comparison with experiment and analysis of mechanisms have been made. Fitting the calculated amplitude with a simple analytic form, the asymptotic velocity dependence of the cross section is obtained. The effect on the capture amplitude of altering the inner part of the internuclear potential has also been explored. In the intermediate velocity regime, earlier work on collisions between protons and hydrogenic-ion targets using a coupled-state approach is being extended to the two-electron helium target. 29 refs

  8. Electronic Energy Transfer in Polarizable Heterogeneous Environments

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Kongsted, Jacob

    2015-01-01

    such couplings provide important insight into the strength of interaction between photo-active pigments in protein-pigment complexes. Recently, attention has been payed to how the environment modifies or even controls the electronic couplings. To enable such theoretical predictions, a fully polarizable embedding......-order multipole moments. We use this extended model to systematically examine three different ways of obtaining EET couplings in a heterogeneous medium ranging from use of the exact transition density to a point-dipole approximation. Several interesting observations are made including that explicit use...... of transition densities in the calculation of the electronic couplings - also when including the explicit environment contribution - can be replaced by a much simpler transition point charge description without comprising the quality of the model predictions....

  9. Fluctuation-induced long-range interactions in polymer systems

    International Nuclear Information System (INIS)

    Semenov, A N; Obukhov, S P

    2005-01-01

    We discover a new universal long-range interaction between solid objects in polymer media. This polymer-induced interaction is directly opposite to the van der Waals attraction. The predicted effect is deeply related to the classical Casimir interactions, providing a unique example of universal fluctuation-induced repulsion rather than normal attraction. This universal repulsion comes from the subtracted soft fluctuation modes in the ideal counterpart of the real polymer system. The effect can also be interpreted in terms of subtracted (ghost) large-scale polymer loops. We establish the general expressions for the energy of polymer-induced interactions for arbitrary solid particles in a concentrated polymer system. We find that the correlation function of the polymer density in a concentrated solution of very long chains follows a scaling law rather than an exponential decay at large distances. These novel universal long-range interactions can be of importance in various polymer systems. We discuss the ways to observe/simulate these fluctuation-induced effects

  10. The Use of Principal Components in Long-Range Forecasting

    Science.gov (United States)

    Chern, Jonq-Gong

    Large-scale modes of the global sea surface temperatures and the Northern Hemisphere tropospheric circulation are described by principal component analysis. The first and the second SST components well describe the El Nino episodes, and the El Nino index (ENI), suggested in this study, is consistent with the winter Southern Oscillation index (SOI), where this ENI is a composite component of the weighted first and second SST components. The large-scale interactive modes of the coupling ocean-atmosphere system are identified by cross-correlation analysis The result shows that the first SST component is strongly correlated with the first component of geopotential height in lead time of 6 months. In the El Nino-Southern Oscillation (ENSO) evolution, the El Nino mode strongly influences the winter tropospheric circulation in the mid -latitudes for up to three leading seasons. The regional long-range variation of climate is investigated with these major components of the SST and the tropospheric circulation. In the mid-latitude, the climate of the central United States shows a weak linkage with these large-scale circulations, and the climate of the western United States appears to be consistently associated with the ENSO modes. These El Nino modes also show a dominant influence on Eastern Asia as evidenced in Taiwan Mei-Yu patterns. Possible regional long-range forecasting schemes, utilizing the complementary characteristics of the winter El Nino mode and SST anomalies, are examined with the Taiwan Mei-Yu.

  11. Helioseismology with long-range dark matter-baryon interactions

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Ilídio [Centro Multidisciplinar de Astrofísica, Instituto Superior Técnico, Universidade Tecnica de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Panci, Paolo [CP3-Origins and DIAS, University of Southern Denmark, DK-5230 Odense (Denmark); Silk, Joseph, E-mail: ilidio.lopes@tecnico.ulisboa.pt, E-mail: panci@iap.fr, E-mail: silk@astro.ox.ac.uk [Institut d' Astrophysique, UMR 7095 CNRS, Université Pierre et Marie Curie, 98bis Blvd Arago, F-75014 Paris (France)

    2014-11-10

    Assuming the existence of a primordial asymmetry in the dark sector, we study how long-range dark matter (DM)-baryon interactions, induced by the kinetic mixing of a new U(1) gauge boson and a photon, affect the evolution of the Sun and, in turn, the sound speed the profile obtained from helioseismology. Thanks to the explicit dependence on the exchanged momenta in the differential cross section (Rutherford-like scattering), we find that DM particles with a mass of ∼10 GeV, kinetic mixing parameter of the order of 10{sup –9}, and a mediator with a mass smaller than a few MeV improve the agreement between the best solar model and the helioseismic data without being excluded by direct detection experiments. In particular, the LUX detector will soon be able to either constrain or confirm our best-fit solar model in the presence of a dark sector with long-range interactions that reconcile helioseismology with thermal neutrino results.

  12. One-dimensional long-range percolation: A numerical study

    Science.gov (United States)

    Gori, G.; Michelangeli, M.; Defenu, N.; Trombettoni, A.

    2017-07-01

    In this paper we study bond percolation on a one-dimensional chain with power-law bond probability C /rd +σ , where r is the distance length between distinct sites and d =1 . We introduce and test an order-N Monte Carlo algorithm and we determine as a function of σ the critical value Cc at which percolation occurs. The critical exponents in the range 0 values for Cc are compared with a known exact bound, while the critical exponent ν is compared with results from mean-field theory, from an expansion around the point σ =1 and from the ɛ -expansion used with the introduction of a suitably defined effective dimension deff relating the long-range model with a short-range one in dimension deff. We finally present a formulation of our algorithm for bond percolation on general graphs, with order N efficiency on a large class of graphs including short-range percolation and translationally invariant long-range models in any spatial dimension d with σ >0 .

  13. The Frontiers of Nuclear Science: A Long-Range Plan

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    2007-12-01

    In a letter dated July 17, 2006, the Department of Energy’s (DOE) Office of Science for Nuclear Physics and the National Science Foundation’s (NSF) Mathematical and Physical Sciences Directorate charged the Nuclear Science Advisory Committee (NSAC) to “conduct a study of the opportunities and priorities for U.S. nuclear physics research and recommend a long range plan that will provide a framework for coordinated advancement of the nation’s nuclear science research programs over the next decade.” This request set in motion a bottom-up review and forward look by the nuclear science community. With input from this community-wide process, a 59 member working group, which included the present NSAC members, gathered at the beginning of May, 2007, to develop guidance on how to optimize the future research directions for the field based on the projected resources outlined in the charge letter from DOE and NSF. A new long range plan—The Frontiers of Nuclear Science—grew out of this meeting. For the last decade, the top priority for nuclear science has been to utilize the flagship facilities that were built with investments by the nation in the 1980s and 1990s. Research with these facilities has led to many significant new discoveries that have changed our understanding of the world in which we live. But new discoveries demand new facilities, and the successes cannot continue indefinitely without new investment.

  14. Monitoring sequential electron transfer with EPR

    International Nuclear Information System (INIS)

    Thurnauer, M.C.; Feezel, L.L.; Snyder, S.W.; Tang, J.; Norris, J.R.; Morris, A.L.; Rustandi, R.R.

    1989-01-01

    A completely general model which treats electron spin polarization (ESP) found in a system in which radical pairs with different magnetic interactions are formed sequentially has been described. This treatment has been applied specifically to the ESP found in the bacterial reaction center. Test cases show clearly how parameters such as structure, lifetime, and magnetic interactions within the successive radical pairs affect the ESP, and demonstrate that previous treatments of this problem have been incomplete. The photosynthetic bacterial reaction center protein is an ideal system for testing the general model of ESP. The radical pair which exhibits ESP, P 870 + Q - (P 870 + is the oxidized, primary electron donor, a bacteriochlorophyll special pair and Q - is the reduced, primary quinone acceptor) is formed via sequential electron transport through the intermediary radical pair P 870 + I - (I - is the reduced, intermediary electron acceptor, a bacteriopheophytin). In addition, it is possible to experimentally vary most of the important parameters, such as the lifetime of the intermediary radical pair and the magnetic interactions in each pair. It has been shown how selective isotopic substitution ( 1 H or 2 H) on P 870 , I and Q affects the ESP of the EPR spectrum of P 870 + Q - , observed at two different microwave frequencies, in Fe 2+ -depleted bacterial reaction centers of Rhodobacter sphaeroides R26. Thus, the relative magnitudes of the magnetic properties (nuclear hyperfine and g-factor differences) which influence ESP development were varied. The results support the general model of ESP in that they suggest that the P 870 + Q - radical pair interactions are the dominant source of ESP production in 2 H bacterial reaction centers

  15. Combining short- and long-range fluorescence reporters with simulations to explore the intramolecular dynamics of an intrinsically disordered protein

    Science.gov (United States)

    Zosel, Franziska; Haenni, Dominik; Soranno, Andrea; Nettels, Daniel; Schuler, Benjamin

    2017-10-01

    Intrinsically disordered proteins (IDPs) are increasingly recognized as a class of molecules that can exert essential biological functions even in the absence of a well-defined three-dimensional structure. Understanding the conformational distributions and dynamics of these highly flexible proteins is thus essential for explaining the molecular mechanisms underlying their function. Single-molecule fluorescence spectroscopy in combination with Förster resonance energy transfer (FRET) is a powerful tool for probing intramolecular distances and the rapid long-range distance dynamics in IDPs. To complement the information from FRET, we combine it with photoinduced electron transfer (PET) quenching to monitor local loop-closure kinetics at the same time and in the same molecule. Here we employed this combination to investigate the intrinsically disordered N-terminal domain of HIV-1 integrase. The results show that both long-range dynamics and loop closure kinetics on the sub-microsecond time scale can be obtained reliably from a single set of measurements by the analysis with a comprehensive model of the underlying photon statistics including both FRET and PET. A more detailed molecular interpretation of the results is enabled by direct comparison with a recent extensive atomistic molecular dynamics simulation of integrase. The simulations are in good agreement with experiment and can explain the deviation from simple models of chain dynamics by the formation of persistent local secondary structure. The results illustrate the power of a close combination of single-molecule spectroscopy and simulations for advancing our understanding of the dynamics and detailed mechanisms in unfolded and intrinsically disordered proteins.

  16. Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states.

    Science.gov (United States)

    Sirjoosingh, Andrew; Hammes-Schiffer, Sharon

    2011-03-24

    The distinction between proton-coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms is important for the characterization of many chemical and biological processes. PCET and HAT mechanisms can be differentiated in terms of electronically nonadiabatic and adiabatic proton transfer, respectively. In this paper, quantitative diagnostics to evaluate the degree of electron-proton nonadiabaticity are presented. Moreover, the connection between the degree of electron-proton nonadiabaticity and the physical characteristics distinguishing PCET from HAT, namely, the extent of electronic charge redistribution, is clarified. In addition, a rigorous diabatization scheme for transforming the adiabatic electronic states into charge-localized diabatic states for PCET reactions is presented. These diabatic states are constructed to ensure that the first-order nonadiabatic couplings with respect to the one-dimensional transferring hydrogen coordinate vanish exactly. Application of these approaches to the phenoxyl-phenol and benzyl-toluene systems characterizes the former as PCET and the latter as HAT. The diabatic states generated for the phenoxyl-phenol system possess physically meaningful, localized electronic charge distributions that are relatively invariant along the hydrogen coordinate. These diabatic electronic states can be combined with the associated proton vibrational states to generate the reactant and product electron-proton vibronic states that form the basis of nonadiabatic PCET theories. Furthermore, these vibronic states and the corresponding vibronic couplings may be used to calculate rate constants and kinetic isotope effects of PCET reactions.

  17. Effect of proton transfer on the electronic coupling in DNA

    International Nuclear Information System (INIS)

    Rak, Janusz; Makowska, Joanna; Voityuk, Alexander A.

    2006-01-01

    The effects of single and double proton transfer within Watson-Crick base pairs on donor-acceptor electronic couplings, V da , in DNA are studied on the bases of quantum chemical calculations. Four dimers [AT,AT], [GC,GC], [GC,AT] and [GC,TA)] are considered. Three techniques - the generalized Mulliken-Hush scheme, the fragment charge method and the diabatic states method - are employed to estimate V da for hole transfer between base pairs. We show that both single- and double proton transfer (PT) reactions may substantially affect the electronic coupling in DNA. The electronic coupling in [AT,AT] is predicted to be most sensitive to PT. Single PT within the first base pair in the dimer leads to increase in the hole transfer efficiency by a factor of 4, while proton transfer within the second pair should substantially, by 2.7 times, decrease the rate of charge transfer. Thus, directional asymmetry of the PT effects on the electronic coupling is predicted. The changes in the V da matrix elements correlate with the topological properties of orbitals of donor and acceptor and can be qualitatively rationalized in terms of resonance structures of donor and acceptor. Atomic pair contributions to the V da matrix elements are also analyzed

  18. [Electron transfer, ionization, and excitation in atomic collisions

    International Nuclear Information System (INIS)

    1992-01-01

    Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He + collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential

  19. Long-range alpha detector for contamination monitoring

    International Nuclear Information System (INIS)

    MacArthur, D.W.; Allander, K.S.; McAtee, J.L.

    1991-01-01

    Historically, alpha detectors have been limited by the very short range of alpha particles in air and by relatively poor sensitivity, even if the particles are intercepted. Of necessity, these detectors are operated in a vacuum or in close proximity to the source if reasonable efficiency is desired. In our new long-range alpha detector (LRAD), alpha particles interact with the ambient air, producing ionization in the air at the rate of about 30,000 ion pairs per MeV of alpha energy. These charges can be transported over significant distances (several meters) in a moving current of air generated by a small fan. An ion chamber located in front of the fan measures the current carried by the moving ions. The LRAD-based monitor is more sensitive and more thorough than conventional monitors. We present current LRAD sensitivity limits and results, practical monitor designs, and proposed uses for LRAD monitors. 4 refs., 6 figs

  20. Long-Range Big Quantum-Data Transmission

    Science.gov (United States)

    Zwerger, M.; Pirker, A.; Dunjko, V.; Briegel, H. J.; Dür, W.

    2018-01-01

    We introduce an alternative type of quantum repeater for long-range quantum communication with improved scaling with the distance. We show that by employing hashing, a deterministic entanglement distillation protocol with one-way communication, one obtains a scalable scheme that allows one to reach arbitrary distances, with constant overhead in resources per repeater station, and ultrahigh rates. In practical terms, we show that, also with moderate resources of a few hundred qubits at each repeater station, one can reach intercontinental distances. At the same time, a measurement-based implementation allows one to tolerate high loss but also operational and memory errors of the order of several percent per qubit. This opens the way for long-distance communication of big quantum data.

  1. Pad A treatability study long-range project plan

    International Nuclear Information System (INIS)

    Mousseau, J.D.

    1991-06-01

    This plan addresses the work to be accomplished by the Pad A Treatability Study Project. The purpose of this project is to investigate potential treatment and separation technologies, identify the best technologies, and to demonstrate by both lab- and pilot-scale demonstration, the most applicable remedial technologies for treating plutonium-contaminated salts at the Pad A site located at the Subsurface Disposal Area (SDA) at the Radioactive Waste Management Complex (RWMC) a the Idaho National Engineering Laboratory (INEL). The conduct of this project will be supported by other DOE laboratories, universities, and private industries, who will provide support for near-term demonstrations of treatment and separation technologies. The purpose of this long-range planning document is to present the detailed plan for the implementation of the Pad A Treatability Study Project

  2. Challenges in miniaturized automotive long-range lidar system design

    Science.gov (United States)

    Fersch, Thomas; Weigel, Robert; Koelpin, Alexander

    2017-05-01

    This paper discusses the current technical limitations posed on endeavors to miniaturize lidar systems for use in automotive applications and how to possibly extend those limits. The focus is set on long-range scanning direct time of flight LiDAR systems using APD photodetectors. Miniaturization evokes severe problems in ensuring absolute laser safety while maintaining the systems' performance in terms of maximum range, signal-to-noise ratio, detection probability, pixel density, or frame rate. Based on hypothetical but realistic specifications for an exemplary system the complete lidar signal path is calculated. The maximum range of the system is used as a general performance indicator. It is determined with the minimum signal-to-noise ratio required to detect an object. Various system parameters are varied to find their impact on the system's range. The reduction of the laser's pulse width and the right choice for the transimpedance amplifier's amplification have shown to be practicable measures to double the system's range.

  3. Long-range outlook of energy demands and supplies

    International Nuclear Information System (INIS)

    1984-01-01

    An interim report on the long-range outlook of energy demands and supplies in Japan as prepared by an ad hoc committee, Advisory Committee for Energy was given for the period up to the year 2000. As the energy demands in terms of crude oil, the following figures are set: 460 million kl for 1990, 530 million kl for 1995, and 600 million kl for 2000. In Japan, without domestic energy resources, over 80% of the primary energy has been imported; the reliance on Middle East where political situation is unstable, for petroleum is very large. The following things are described. Background and policy; energy demands in industries, transports, and people's livelihood; energy supplies by coal, nuclear energy, petroleum, etc.; energy demand/supply outlook for 2000. (Mori, K.)

  4. Short, intermediate and long range order in amorphous ices

    Science.gov (United States)

    Martelli, Fausto; Torquato, Salvatore; Giovanbattista, Nicolas; Car, Roberto

    Water exhibits polyamorphism, i.e., it exists in more than one amorphous state. The most common forms of glassy water are the low-density amorphous (LDA) and the high-density amorphous (HDA) ices. LDA, the most abundant form of ice in the Universe, transforms into HDA upon isothermal compression. We model the transformation of LDA into HDA under isothermal compression with classical molecular dynamics simulations. We analyze the molecular structures with a recently introduced scalar order metric to measure short and intermediate range order. In addition, we rank the structures by their degree of hyperuniformity, i.e.,the extent to which long range density fluctuations are suppressed. F.M. and R.C. acknowledge support from the Department of Energy (DOE) under Grant No. DE-SC0008626.

  5. Sensor Control And Film Annotation For Long Range, Standoff Reconnaissance

    Science.gov (United States)

    Schmidt, Thomas G.; Peters, Owen L.; Post, Lawrence H.

    1984-12-01

    This paper describes a Reconnaissance Data Annotation System that incorporates off-the-shelf technology and system designs providing a high degree of adaptability and interoperability to satisfy future reconnaissance data requirements. The history of data annotation for reconnaissance is reviewed in order to provide the base from which future developments can be assessed and technical risks minimized. The system described will accommodate new developments in recording head assemblies and the incorporation of advanced cameras of both the film and electro-optical type. Use of microprocessor control and digital bus inter-face form the central design philosophy. For long range, high altitude, standoff missions, the Data Annotation System computes the projected latitude and longitude of central target position from aircraft position and attitude. This complements the use of longer ranges and high altitudes for reconnaissance missions.

  6. Long-range interactions in antiferromagnetic quantum spin chains

    Science.gov (United States)

    Bravo, B.; Cabra, D. C.; Gómez Albarracín, F. A.; Rossini, G. L.

    2017-08-01

    We study the role of long-range dipolar interactions on antiferromagnetic spin chains, from the classical S →∞ limit to the deep quantum case S =1 /2 , including a transverse magnetic field. To this end, we combine different techniques such as classical energy minima, classical Monte Carlo, linear spin waves, bosonization, and density matrix renormalization group (DMRG). We find a phase transition from the already reported dipolar ferromagnetic region to an antiferromagnetic region for high enough antiferromagnetic exchange. Thermal and quantum fluctuations destabilize the classical order before reaching magnetic saturation in both phases, and also close to zero field in the antiferromagnetic phase. In the extreme quantum limit S =1 /2 , extensive DMRG computations show that the main phases remain present with transition lines to saturation significatively shifted to lower fields, in agreement with the bosonization analysis. The overall picture maintains a close analogy with the phase diagram of the anisotropic XXZ spin chain in a transverse field.

  7. Radiation protection criteria in the long-range view

    International Nuclear Information System (INIS)

    Snihs, J.O.; Bergman, C.

    1989-01-01

    The report presents by way of introduction radiation protection criteria applied to radiological activities and to disposal of low-level and intermediate-level radioactive waste. In these cases it is primarily short-range views that are relevant, up to a few thousand years as a maximum. In the case of high-level wastes where the views may extend to more than hundreds of thousands years, there are not for the present any equally well stablished criteria. Based upon preliminary results from a Nordic team for criteria for high-level radioactive wastes, dose estimates in the long-range view and alternative assessment criteria are discussed. Proposals are also presented for 12 criteria that may be applicable. As the work is not yet finshed, the criteria are however merely preliminary

  8. On the origin of long-range correlations in texts.

    Science.gov (United States)

    Altmann, Eduardo G; Cristadoro, Giampaolo; Esposti, Mirko Degli

    2012-07-17

    The complexity of human interactions with social and natural phenomena is mirrored in the way we describe our experiences through natural language. In order to retain and convey such a high dimensional information, the statistical properties of our linguistic output has to be highly correlated in time. An example are the robust observations, still largely not understood, of correlations on arbitrary long scales in literary texts. In this paper we explain how long-range correlations flow from highly structured linguistic levels down to the building blocks of a text (words, letters, etc..). By combining calculations and data analysis we show that correlations take form of a bursty sequence of events once we approach the semantically relevant topics of the text. The mechanisms we identify are fairly general and can be equally applied to other hierarchical settings.

  9. Intramolecular electron transfer in single-site-mutated azurins

    DEFF Research Database (Denmark)

    Farver, O; Skov, L K; Pascher, T

    1993-01-01

    . Natl. Acad. Sci. U.S.A. 86, 6968-6972]. The RSSR- radical produced in the above reaction was reoxidized in a slower intramolecular electron-transfer process (30-70 s-1 at 298 K) concomitant with a further reduction of the Cu(II) ion. The temperature dependence of the latter rates was determined......, lambda = 135 kJ mol-1 for the reorganization energy was derived. When Trp48, situated midway between the donor and the acceptor, was replaced by Leu or Met, only a small change in the rate of intramolecular electron transfer was observed, indicating that the aromatic residue in this position...... is apparently only marginally involved in electron transfer in wild-type azurin. Pathway calculations also suggest that a longer, through-backbone path is more efficient than the shorter one involving Trp48. The former pathway yields an exponential decay factor, beta, of 6.6 nm-1. Another mutation, raising...

  10. Electron transfer dynamics: Zusman equation versus exact theory

    International Nuclear Information System (INIS)

    Shi Qiang; Chen Liping; Nan Guangjun; Xu Ruixue; Yan Yijing

    2009-01-01

    The Zusman equation has been widely used to study the effect of solvent dynamics on electron transfer reactions. However, application of this equation is limited by the classical treatment of the nuclear degrees of freedom. In this paper, we revisit the Zusman equation in the framework of the exact hierarchical equations of motion formalism, and show that a high temperature approximation of the hierarchical theory is equivalent to the Zusman equation in describing electron transfer dynamics. Thus the exact hierarchical formalism naturally extends the Zusman equation to include quantum nuclear dynamics at low temperatures. This new finding has also inspired us to rescale the original hierarchical equations and incorporate a filtering algorithm to efficiently propagate the hierarchical equations. Numerical exact results are also presented for the electron transfer reaction dynamics and rate constant calculations.

  11. Screening of exciplex formation by distant electron transfer.

    Science.gov (United States)

    Fedorenko, S G; Khokhlova, S S; Burshtein, A I

    2012-01-12

    The excitation quenching by reversible exciplex formation, combined with irreversible but distant electron transfer, is considered by means of the integral encounter theory (IET). Assuming that the quenchers are in great excess, the set of IET equations for the excitations, free ions, and exciplexes is derived. Solving these equations gives the Laplace images of all these populations, and these are used to specify the quantum yields of the corresponding reaction products. It appears that diffusion facilitates the exciplex production and the electron transfer. On the other hand the stronger the electron transfer is, the weaker is the exciplex production. At slow diffusion the distant quenching of excitations by ionization prevents their reaching the contact where they can turn into exciplexes. This is a screening effect that is most pronounced when the ionization rate is large.

  12. UMER: An analog computer for dynamics of swarms interacting via long-range forces

    International Nuclear Information System (INIS)

    Kishek, R.A.; Bai, G.; Bernal, S.; Feldman, D.; Godlove, T.F.; Haber, I.; O'Shea, P.G.; Quinn, B.; Papadopoulos, C.; Reiser, M.; Stratakis, D.; Tian, K.; Tobin, C.J.; Walter, M.

    2006-01-01

    Some of the most challenging and interesting problems in nature involve large numbers of objects or particles mutually interacting through long-range forces. Examples range from galaxies and plasmas to flocks of birds and traffic flow on a highway. Even in cases where the form of the interacting force is precisely known, such as the 1/r 2 -dependent Coulomb and gravitational forces, such problems present a formidable theoretical and modeling challenge for large numbers of interacting bodies. This paper reports on a newly constructed, scaled particle accelerator that will serve as an experimental testbed for the dynamics of swarms interacting through long-range forces. Primarily designed for intense beam dynamics studies for advanced accelerators, the University of Maryland Electron Ring (UMER) design is described in detail and an update on commissioning is provided. An example application to a system other than a charged particle beam is discussed

  13. Numerical Simulation of Transient Moisture Transfer into an Electronic Enclosure

    DEFF Research Database (Denmark)

    Shojaee Nasirabadi, Parizad; Jabbaribehnam, Mirmasoud; Hattel, Jesper Henri

    2016-01-01

    Electronic systems are sometimes exposed to harsh environmental conditions of temperature and humidity. Moisturetransfer into electronic enclosures and condensation can cause several problems such as corrosion and alteration in thermalstresses. It is therefore essential to study the local climate...... inside the enclosures to be able to protect the electronic systems.In this work, moisture transfer into a typical electronic enclosure is numerically studied using CFD. In order to reduce theCPU-time and make a way for subsequent factorial design analysis, a simplifying modification is applied in which...

  14. Electron Transfer Strategies Regulate Carbonate Mineral and Micropore Formation.

    Science.gov (United States)

    Zeng, Zhirui; Tice, Michael M

    2018-01-01

    Some microbial carbonates are robust biosignatures due to their distinct morphologies and compositions. However, whether carbonates induced by microbial iron reduction have such features is unknown. Iron-reducing bacteria use various strategies to transfer electrons to iron oxide minerals (e.g., membrane-bound enzymes, soluble electron shuttles, nanowires, as well as different mechanisms for moving over or attaching to mineral surfaces). This diversity has the potential to create mineral biosignatures through manipulating the microenvironments in which carbonate precipitation occurs. We used Shewanella oneidensis MR-1, Geothrix fermentans, and Geobacter metallireducens GS-15, representing three different strategies, to reduce solid ferric hydroxide in order to evaluate their influence on carbonate and micropore formation (micro-size porosity in mineral rocks). Our results indicate that electron transfer strategies determined the morphology (rhombohedral, spherical, or long-chained) of precipitated calcium-rich siderite by controlling the level of carbonate saturation and the location of carbonate formation. Remarkably, electron transfer strategies also produced distinctive cell-shaped micropores in both carbonate and hydroxide minerals, thus producing suites of features that could potentially serve as biosignatures recording information about the sizes, shapes, and physiologies of iron-reducing organisms. Key Words: Microbial iron reduction-Micropore-Electron transfer strategies-Microbial carbonate. Astrobiology 18, 28-36.

  15. Long-distance photoinitiated electron transfer through polyene molecular wires

    International Nuclear Information System (INIS)

    Wasielewski, M.R.; Johnson, D.G.; Svec, W.A.; Kersey, K.M.; Cragg, D.E.; Minsek, D.W.

    1989-01-01

    Long-chain polyenes can be used as molecular wires to facilitate electron transfer between a photo-excited donor and an acceptor in an artificial photosynthetic system. The authors present data here on two Zn-porphyrin-polyene-anthraquinone molecules possessing either 5 or 9 all trans double bonds between the donor and acceptor, 1 and 2. The center-to-center distances between the porphyrin and the quinone in these relatively rigid molecules are 25 angstrom for 1 and 35 angstrom for 2. Selective picosecond laser excitation of the Zn-porphyrin and 1 and 2 results in the very rapid transfer of an electron to the anthraquinone in <2 ps and 10 ps, respectively. The resultant radical ion pairs recombine with τ = 10 ps for 1 and τ = 25 ps for 2. The electron transfer rates remain remarkably rapid over these long distances. The involvement of polyene radical cations in the mechanism of the radical ion pair recombination reaction is clear from the transient absorption spectra of 1 and 2, which show strong absorbances in the near-infrared. The strong electronic coupling between the Zn-porphyrin n the anthraquinone provided by low-lying states of the polyene make it possible to transfer an electron rapidly over very long distances

  16. Numerical simulation of transient moisture transfer into an electronic enclosure

    International Nuclear Information System (INIS)

    Nasirabadi, P. Shojaee; Jabbari, M.; Hattel, J. H.

    2016-01-01

    Electronic systems are sometimes exposed to harsh environmental conditions of temperature and humidity. Moisture transfer into electronic enclosures and condensation can cause several problems such as corrosion and alteration in thermal stresses. It is therefore essential to study the local climate inside the enclosures to be able to protect the electronic systems. In this work, moisture transfer into a typical electronic enclosure is numerically studied using CFD. In order to reduce the CPU-time and make a way for subsequent factorial design analysis, a simplifying modification is applied in which the real 3D geometry is approximated by a 2D axial symmetry one. The results for 2D and 3D models were compared in order to calibrate the 2D representation. Furthermore, simulation results were compared with experimental data and good agreement was found.

  17. Numerical simulation of transient moisture transfer into an electronic enclosure

    Energy Technology Data Exchange (ETDEWEB)

    Nasirabadi, P. Shojaee; Jabbari, M.; Hattel, J. H. [Process Modelling Group, Department of Mechanical Engineering, Technical University of Denmark, Nils Koppels Allé, 2800 Kgs. Lyngby (Denmark)

    2016-06-08

    Electronic systems are sometimes exposed to harsh environmental conditions of temperature and humidity. Moisture transfer into electronic enclosures and condensation can cause several problems such as corrosion and alteration in thermal stresses. It is therefore essential to study the local climate inside the enclosures to be able to protect the electronic systems. In this work, moisture transfer into a typical electronic enclosure is numerically studied using CFD. In order to reduce the CPU-time and make a way for subsequent factorial design analysis, a simplifying modification is applied in which the real 3D geometry is approximated by a 2D axial symmetry one. The results for 2D and 3D models were compared in order to calibrate the 2D representation. Furthermore, simulation results were compared with experimental data and good agreement was found.

  18. Conduction mechanism studies on electron transfer of disordered system

    Institute of Scientific and Technical Information of China (English)

    徐慧; 宋祎璞; 李新梅

    2002-01-01

    Using the negative eigenvalue theory and the infinite order perturbation theory, a new method was developed to solve the eigenvectors of disordered systems. The result shows that eigenvectors change from the extended state to the localized state with the increase of the site points and the disordered degree of the system. When electric field is exerted, the electrons transfer from one localized state to another one. The conductivity is induced by the electron transfer. The authors derive the formula of electron conductivity and find the electron hops between localized states whose energies are close to each other, whereas localized positions differ from each other greatly. At low temperature the disordered system has the character of the negative differential dependence of resistivity and temperature.

  19. Inelastic electron photon scattering at moderate four momentum transfers

    International Nuclear Information System (INIS)

    Berger, C.; Genzel, H.; Grigull, R.; Lackas, W.; Raupach, F.; Klovning, A.; Lillestoel, E.; Skard, J.A.; Ackermann, H.; Buerger, J.

    1980-10-01

    We present new high statistics data on hadron production in photon photon reactions. The data are analyzed in terms of an electron photon scattering formalism. The dependence of the total cross section on Q 2 , the four momentum transfer squared of the scattered electron, and on the mass W of the hadronic system is investigated. The data are compared to predictions from Vector Dominance and the quark model. (orig.)

  20. Quality assurance and data collection -- Electronic Data Transfer

    International Nuclear Information System (INIS)

    Tomczak, L.M.; Lohner, W.G.; Ray, E.C.; Salesky, J.A.; Spitz, H.B.

    1993-05-01

    The Radiological Environmental Monitoring (REM) group at the Fernald Environmental Management Project is involved in an Electronic Data Transfer practice that will result in the improved quality assurance of collected data. This practice focuses on electronic data transfer from the recording instrument to reduce the manpower normally required for manual data entry and improve the quality of the data transferred. The application of this practice can enhance any data collection program where instruments with electronic memories and a signal output are utilized. Organizations employing this practice can strengthen the quality and efficiency of their data collection program. The use of these practices can assist in complying with Quality Assurance requirements under ASME NQA-1, RCRA, CERCLA, and DOE Order activities. Data from Pylon AB-5 instrumentation is typically configured to print data to a tape. The REM group has developed a process to electronically transfer stored data. The data are sent from the Pylon AB-5 field instrument to a HewlettPackard portable hand computer, model HP95LX. Data are recorded and stored on a 128 K-byte RAN card and later transferred to a PC database as an electronic file for analysis. The advantage of this system is twofold: (1) Data entry errors are eliminated and (2) considerable data collection and entry time is eliminated. Checks can then be conducted for data validity between recorded intervals due to light leaks etc. and the detection of outliers. This paper will discuss the interface and connector components that allow this transfer of data from the Pylon to the PC to take place and the process to perform that activity

  1. In-flight sleep, pilot fatigue and Psychomotor Vigilance Task performance on ultra-long range versus long range flights.

    Science.gov (United States)

    Gander, Philippa H; Signal, T Leigh; van den Berg, Margo J; Mulrine, Hannah M; Jay, Sarah M; Jim Mangie, Captain

    2013-12-01

    This study evaluated whether pilot fatigue was greater on ultra-long range (ULR) trips (flights >16 h on 10% of trips in a 90-day period) than on long range (LR) trips. The within-subjects design controlled for crew complement, pattern of in-flight breaks, flight direction and departure time. Thirty male Captains (mean age = 54.5 years) and 40 male First officers (mean age = 48.0 years) were monitored on commercial passenger flights (Boeing 777 aircraft). Sleep was monitored (actigraphy, duty/sleep diaries) from 3 days before the first study trip to 3 days after the second study trip. Karolinska Sleepiness Scale, Samn-Perelli fatigue ratings and a 5-min Psychomotor Vigilance Task were completed before, during and after every flight. Total sleep in the 24 h before outbound flights and before inbound flights after 2-day layovers was comparable for ULR and LR flights. All pilots slept on all flights. For each additional hour of flight time, they obtained an estimated additional 12.3 min of sleep. Estimated mean total sleep was longer on ULR flights (3 h 53 min) than LR flights (3 h 15 min; P(F) = 0.0004). Sleepiness ratings were lower and mean reaction speed was faster at the end of ULR flights. Findings suggest that additional in-flight sleep mitigated fatigue effectively on longer flights. Further research is needed to clarify the contributions to fatigue of in-flight sleep versus time awake at top of descent. The study design was limited to eastward outbound flights with two Captains and two First Officers. Caution must be exercised when extrapolating to different operations. © 2013 European Sleep Research Society.

  2. Effective quantum theories with short- and long-range forces

    International Nuclear Information System (INIS)

    Koenig, Sebastian

    2013-01-01

    At low energies, nonrelativistic quantum systems are essentially governed by their wave functions at large distances. For this reason, it is possible to describe a wide range of phenomena with short- or even finite-range interactions. In this thesis, we discuss several topics in connection with such an effective description and consider, in particular, modifications introduced by the presence of additional long-range potentials. In the first part we derive general results for the mass (binding energy) shift of bound states with angular momentum L ≥ 1 in a periodic cubic box in two and three spatial dimensions. Our results have applications to lattice simulations of hadronic molecules, halo nuclei, and Feshbach molecules. The sign of the mass shift can be related to the symmetry properties of the state under consideration. We verify our analytical results with explicit numerical calculations. Moreover, we discuss the case of twisted boundary conditions that arise when one considers moving bound states in finite boxes. The corresponding finite-volume shifts in the binding energies play an important role in the study of composite-particle scattering on the lattice, where they give rise to topological correction factors. While the above results are derived under the assumption of a pure finite-range interaction - and are still true up to exponentially small correction in the short-range case - in the second part we consider primarily systems of charged particles, where the Coulomb force determines the long-range part of the potential. In quantum systems with short-range interactions, causality imposes nontrivial constraints on low-energy scattering parameters. We investigate these causality constraints for systems where a long-range Coulomb potential is present in addition to a short-range interaction. The main result is an upper bound for the Coulomb-modified effective range parameter. We discuss the implications of this bound to the effective feld theory (EFT) for

  3. Electronic Coupling Dependence of Ultrafast Interfacial Electron Transfer on Nanocrystalline Thin Films and Single Crystal

    Energy Technology Data Exchange (ETDEWEB)

    Lian, Tianquan

    2014-04-22

    The long-term goal of the proposed research is to understand electron transfer dynamics in nanoparticle/liquid interface. This knowledge is essential to many semiconductor nanoparticle based devices, including photocatalytic waste degradation and dye sensitized solar cells.

  4. Electron transfer from nucleobase electron adducts to 5-bromouracil. Is guanine an ultimate sink for the electron in irradiated DNA?

    International Nuclear Information System (INIS)

    Nese, C.; Yuan, Z.; Schuchmann, M.N.; Sonntag, C. von

    1992-01-01

    Electron transfer to 5-bromouracil (5-BrU) from nucleobase (N) electron adducts (and their protonated forms) has been studied by product analysis and pulse radiolysis. When an electron is transferred to 5-BrU, the ensuing 5-BrU radical anion rapidly loses a bromide ion; the uracilyl radical thus formed reacts with added t-butanol, yielding uracil. From the uracil yields measured as the function of [N]/[5-BrU] after γ-radiolysis of Ar-saturated solutions it is concluded that thymine and adenine electron adducts and their heteroatom-protonated forms transfer electrons quantitatively to 5-BrU. The data raise the question whether in DNA the guanine moiety may act as the ultimate sink of the electron in competition with other processes such as protonation at C(6) of the thymine electron adduct. (Author)

  5. Vibration Isolation Platform for Long Range Optical Communications, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Optical communication links provide higher data transfer rates with lower mass, power, and volume than conventional radio-frequency links. For deep space...

  6. Combining UV photodissociation with electron transfer for peptide structure analysis

    Czech Academy of Sciences Publication Activity Database

    Shaffer, C. J.; Marek, Aleš; Pepin, R.; Slováková, K.; Tureček, F.

    2015-01-01

    Roč. 50, č. 3 (2015), s. 470-475 ISSN 1076-5174 Institutional support: RVO:61388963 Keywords : electron transfer dissociation * laser photodissociation * peptide ions * cation radical * chromophores * isomer distinction Subject RIV: CE - Biochemistry Impact factor: 2.541, year: 2015

  7. Electron Transfer in Chemistry and Biology - The Primary Events in ...

    Indian Academy of Sciences (India)

    transfers, occurs in a cascade in many biological processes, including photosynthesis. ... the model reactions of photosynthetic ... biological relevance. GENERAL I ARTICLE of electrons, respectively. This has entirely changed the earlier framework of interpreting reactions in chemistry and biology. This shift in emphasis ...

  8. Electron Transfer in Chemistry and Biology – The Primary Events

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 12. Electron Transfer in Chemistry and Biology – The Primary Events in Photosynthesis. V Krishnan. General Article Volume 2 Issue 12 December 1997 pp 77-86. Fulltext. Click here to view fulltext PDF. Permanent link:

  9. Adsorption and Interfacial Electron Transfer of Saccharomyces Cerevisiae

    DEFF Research Database (Denmark)

    Hansen, Allan Glargaard; Boisen, Anja; Nielsen, Jens Ulrik

    2003-01-01

    We have studied the adsorption and electron-transfer dynamics of Saccharomyces cerevisiae (yeast) iso-l-cytochrome c adsorbed on Au(lll) electrodes in aqueous phosphate buffer media. This cytochrome possesses a thiol group dos e to the protein surface (Cysl02) suitable for linking the protein...

  10. 78 FR 30661 - Electronic Fund Transfers (Regulation E)

    Science.gov (United States)

    2013-05-22

    ... Part 1005 Electronic Fund Transfers (Regulation E); Final Rule #0;#0;Federal Register / Vol. 78 , No... (Regulation E) AGENCY: Bureau of Consumer Financial Protection. ACTION: Final rule; official interpretation.../regulations/final-remittance-rule-amendment-regulation-e/ . SUPPLEMENTARY INFORMATION: I. Summary of the Final...

  11. Towards model-based testing of electronic funds transfer systems

    NARCIS (Netherlands)

    Asaadi, H.R.; Khosravi, R.; Mousavi, M.R.; Noroozi, N.; Arbab, F.; Sirjani, M.

    2012-01-01

    We report on our first experience with applying model-based testing techniques to an operational Electronic Funds Transfer (EFT) switch. The goal is to test the conformance of the EFT switch to the standard flows described by the ISO 8583 standard. To this end, we first make a formalization of the

  12. Towards model-based testing of electronic funds transfer systems

    NARCIS (Netherlands)

    Asaadi, H.R.; Khosravi, R.; Mousavi, M.R.; Noroozi, N.

    2010-01-01

    We report on our first experience with applying model-based testing techniques to an operational Electronic Funds Transfer (EFT) switch. The goal is to test the conformance of the EFT switch to the standard flows described by the ISO 8583 standard. To this end, we first make a formalization of the

  13. Electron transfer kinetics on mono- and multilayer graphene.

    Science.gov (United States)

    Velický, Matěj; Bradley, Dan F; Cooper, Adam J; Hill, Ernie W; Kinloch, Ian A; Mishchenko, Artem; Novoselov, Konstantin S; Patten, Hollie V; Toth, Peter S; Valota, Anna T; Worrall, Stephen D; Dryfe, Robert A W

    2014-10-28

    Understanding of the electrochemical properties of graphene, especially the electron transfer kinetics of a redox reaction between the graphene surface and a molecule, in comparison to graphite or other carbon-based materials, is essential for its potential in energy conversion and storage to be realized. Here we use voltammetric determination of the electron transfer rate for three redox mediators, ferricyanide, hexaammineruthenium, and hexachloroiridate (Fe(CN)(6)(3-), Ru(NH3)(6)(3+), and IrCl(6)(2-), respectively), to measure the reactivity of graphene samples prepared by mechanical exfoliation of natural graphite. Electron transfer rates are measured for varied number of graphene layers (1 to ca. 1000 layers) using microscopic droplets. The basal planes of mono- and multilayer graphene, supported on an insulating Si/SiO(2) substrate, exhibit significant electron transfer activity and changes in kinetics are observed for all three mediators. No significant trend in kinetics with flake thickness is discernible for each mediator; however, a large variation in kinetics is observed across the basal plane of the same flakes, indicating that local surface conditions affect the electrochemical performance. This is confirmed by in situ graphite exfoliation, which reveals significant deterioration of initially, near-reversible kinetics for Ru(NH3)(6)(3+) when comparing the atmosphere-aged and freshly exfoliated graphite surfaces.

  14. 75 FR 75897 - Electronic Funds Transfer of Depository Taxes

    Science.gov (United States)

    2010-12-07

    ... to the particular tax. (b) Income taxes. (1) For provisions relating to the deposits of income and... relating to Federal tax deposits (FTDs) by Electronic Funds Transfer (EFT). In response to the decision of... regulations amending the Income Tax Regulations (26 CFR part 1) and the Regulations on Procedure and...

  15. Electron transfer reactions involving porphyrins and chlorophyll a

    International Nuclear Information System (INIS)

    Neta, P.; Scherz, A.; Levanon, H.

    1979-01-01

    Electron transfer reactions involving porphyrins (P) and quinones (Q) have been studied by pulse radiolysis. The porphyrins used were tetraphenylporphyrin (H 2 TPP), its tetracarboxy derivative (H 2 TCPP), the sodium and zinc compounds (Na 2 TPP and ZnTPP), and chlorophyll a (Chl a). These compounds were found to be rapidly reduced by electron transfer from (CH 3 ) 2 CO - . Reduction by (CH 3 ) 2 COH was rapid in aqueous solutions but relatively slow in i-PrOH solutions. Transient spectra of the anion radicals were determined and, in the case of H 2 TCPP - ., a pK = 9.7 was derived for its protonation. Electron-transfer reactions from the anion radical of H 2 TCPP to benzoquinone, duroquinone, 9,10-anthraquinone 2-sulfonate, and methylviologen occur in aqueous solutions with rate constants approx. 10 7 -10 9 M -1 s -1 which depend on the pH and the quinone reduction potential. Reactions of Na 2 TPP - ., ZnTPP - ., and Chl a - . with anthraquinone in basic i-PrOH solutions occur with rate constants approx. 10 9 M -1 s -1 . The spectral changes associated with these electron-transfer reactions as observed over a period of approx. 1 ms indicated, in some cases, the formation of an intermediate complex [P...Q - .]. 8 figures, 2 tables

  16. 31 CFR 208.3 - Payment by electronic funds transfer.

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Payment by electronic funds transfer. 208.3 Section 208.3 Money and Finance: Treasury Regulations Relating to Money and Finance (Continued) FISCAL SERVICE, DEPARTMENT OF THE TREASURY FINANCIAL MANAGEMENT SERVICE MANAGEMENT OF FEDERAL AGENCY...

  17. Long-range alpha detection applied to soil surface monitoring

    International Nuclear Information System (INIS)

    Caress, R.W.; Allander, K.S.; Bounds, J.A.; Catlett, M.M.; MacArthur, D.W.; Rutherford, D.A.

    1992-01-01

    The long-range alpha detection (LRAD) technique depends on the detection of ion pairs generated by alpha particles losing energy in air rather than on detection of the alpha particles themselves. Typical alpha particles generated by uranium will travel less than 3 cm in air. In contrast, the ions have been successfully detected many inches or feet away from the contamination. Since LRAD detection systems are sensitive to all ions simultaneously, large LRAD soil surface monitors (SSMS) can be used to collect all of the ions from a large sample. The LRAD SSMs are designed around the fan-less LRAD detector. In this case a five-sided box with an open bottom is placed on the soil surface. Ions generated by alpha decays on the soil surface are collected on a charged copper plate within the box. These ions create a small current from the plate to ground which is monitored with a sensitive electrometer. The current measured is proportional to the number of ions in the box, which is, in turn, proportional to the amount of alpha contamination on the surface of the soil. This report includes the design and construction of a 1-m by 1-m SSM as well as the results of a study at Fernald, OH, as part of the Uranium in Soils Integrated Demonstration

  18. Functional Sites Induce Long-Range Evolutionary Constraints in Enzymes.

    Directory of Open Access Journals (Sweden)

    Benjamin R Jack

    2016-05-01

    Full Text Available Functional residues in proteins tend to be highly conserved over evolutionary time. However, to what extent functional sites impose evolutionary constraints on nearby or even more distant residues is not known. Here, we report pervasive conservation gradients toward catalytic residues in a dataset of 524 distinct enzymes: evolutionary conservation decreases approximately linearly with increasing distance to the nearest catalytic residue in the protein structure. This trend encompasses, on average, 80% of the residues in any enzyme, and it is independent of known structural constraints on protein evolution such as residue packing or solvent accessibility. Further, the trend exists in both monomeric and multimeric enzymes and irrespective of enzyme size and/or location of the active site in the enzyme structure. By contrast, sites in protein-protein interfaces, unlike catalytic residues, are only weakly conserved and induce only minor rate gradients. In aggregate, these observations show that functional sites, and in particular catalytic residues, induce long-range evolutionary constraints in enzymes.

  19. ORNL long-range environmental and waste management plan

    International Nuclear Information System (INIS)

    Baldwin, J.S.; Bates, L.D.; Brown, C.H.; Easterday, C.A.; Hill, L.G.; Kendrick, C.M.; McNeese, L.E.; Myrick, T.E.; Payne, T.L.; Pepper, C.E.; Robinson, S.M.; Rohwer, P.S.; Scanlan, T.F.; Smith, M.A.; Stratton, L.E.; Trabalka, J.R.

    1989-09-01

    This report, the ORNL Long-Range Environmental and Waste Management Plan, is the annual update in a series begun in fiscal year 1985. Its primary purpose is to provide a thorough and systematic planning document to reflect the continuing process of site assessment, strategy development, and planning for the current and long-term control of environmental issues, waste management practices, and remedial action requirements. The document also provides an estimate of the resources required to implement the current plan. This document is not intended to be a budget document; it is, however, intended to provide guidance to both Martin Marietta Energy Systems, Inc., and the US Department of Energy (DOE) management as to the near order of magnitude of the resources (primarily funding requirements) and the time frame required to execute the strategy in the present revision of the plan. As with any document of this nature, the near-term (one to three years) part of the plan is a pragmatic assessment of the current program and ongoing capital projects and reflects the efforts perceived to be necessary to comply with all current state and federal regulations and DOE orders. It also should be in general agreement with current budget (funding) requests and obligations for these immediate years. 55 figs., 72 tabs

  20. Long-range transport and deposition of sulfur in Asia

    International Nuclear Information System (INIS)

    Arndt, R.L.; Carmichael, G.R.

    1995-01-01

    The long range transport of sulfur in Asia is analyzed through the use of a multi-dimensional acid deposition model. The air quality of this region is heavily influenced by the combination of Asia's growing population, its expanding economy, and the associated systems of energy consumption and production. These factors combined with a shift to using indigenous coal as the primary fuel source for the region, will result in increased emissions of pollutants into the environment. By the year 2020 sulfur emissions from Asia are projected to exceed the combined emissions from Europe and North America. The authors have estimated sulfur deposition in Asia on a one-by-one degree spatial resolution in the region from Pakistan to Japan and from Indonesia to Mongolia using a 3-layer Lagrangian model. Deposition in excess of 10 g S/m 2 is predicted in south-central China. The relationship between emission source and receptor has been developed into a deposition matrix and examples of the source-receptor relationship are presented. 11 refs., 2 figs., 2 tabs

  1. Measured long-range repulsive Casimir–Lifshitz forces

    Science.gov (United States)

    Munday, J. N.; Capasso, Federico; Parsegian, V. Adrian

    2014-01-01

    Quantum fluctuations create intermolecular forces that pervade macroscopic bodies1–3. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces4. However, as recognized in the theories of Casimir, Polder and Lifshitz5–7, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies8–11. Here we show experimentally that, in accord with theoretical prediction12, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir–Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction13–15. PMID:19129843

  2. Measured long-range repulsive Casimir-Lifshitz forces.

    Science.gov (United States)

    Munday, J N; Capasso, Federico; Parsegian, V Adrian

    2009-01-08

    Quantum fluctuations create intermolecular forces that pervade macroscopic bodies. At molecular separations of a few nanometres or less, these interactions are the familiar van der Waals forces. However, as recognized in the theories of Casimir, Polder and Lifshitz, at larger distances and between macroscopic condensed media they reveal retardation effects associated with the finite speed of light. Although these long-range forces exist within all matter, only attractive interactions have so far been measured between material bodies. Here we show experimentally that, in accord with theoretical prediction, the sign of the force can be changed from attractive to repulsive by suitable choice of interacting materials immersed in a fluid. The measured repulsive interaction is found to be weaker than the attractive. However, in both cases the magnitude of the force increases with decreasing surface separation. Repulsive Casimir-Lifshitz forces could allow quantum levitation of objects in a fluid and lead to a new class of switchable nanoscale devices with ultra-low static friction.

  3. ORNL long-range environmental and waste management plan

    Energy Technology Data Exchange (ETDEWEB)

    Baldwin, J.S.; Bates, L.D.; Brown, C.H.; Easterday, C.A.; Hill, L.G.; Kendrick, C.M.; McNeese, L.E.; Myrick, T.E.; Payne, T.L.; Pepper, C.E.; Robinson, S.M.; Rohwer, P.S.; Scanlan, T.F.; Smith, M.A.; Stratton, L.E.; Trabalka, J.R.

    1989-09-01

    This report, the ORNL Long-Range Environmental and Waste Management Plan, is the annual update in a series begun in fiscal year 1985. Its primary purpose is to provide a thorough and systematic planning document to reflect the continuing process of site assessment, strategy development, and planning for the current and long-term control of environmental issues, waste management practices, and remedial action requirements. The document also provides an estimate of the resources required to implement the current plan. This document is not intended to be a budget document; it is, however, intended to provide guidance to both Martin Marietta Energy Systems, Inc., and the US Department of Energy (DOE) management as to the near order of magnitude of the resources (primarily funding requirements) and the time frame required to execute the strategy in the present revision of the plan. As with any document of this nature, the near-term (one to three years) part of the plan is a pragmatic assessment of the current program and ongoing capital projects and reflects the efforts perceived to be necessary to comply with all current state and federal regulations and DOE orders. It also should be in general agreement with current budget (funding) requests and obligations for these immediate years. 55 figs., 72 tabs.

  4. Long-range goal setting in the nuclear utility industry

    International Nuclear Information System (INIS)

    Beard, P.M.

    1986-01-01

    The Institute of Nuclear Power Operation's (INPO's) programs support the industry's efforts to improve performance in nuclear plant safety and reliability. The success of these programs can best be measured by the progress of the industry. As utilities focused their attention on nuclear plant performance, the Institute's goal was to make sure its programs and activities provided the best possible support for these efforts. INPO continues to coordinate an industry-wide plant performance indicator program to assist member utilities in assessing station performance. Closely related to this effort is the nuclear industry's establishment of long-range plant performance goals. The US nuclear utility industry currently sends INPO quarterly data on 28 key performance indicators. INPO analyzes these data and provides periodic reports to its members and participants. Selected highlights of INPO's Performance Indicators for the US Nuclear Utility, dated June 1986, are discussed. Throughout 1985, INPO interacted with members, participants, and three external ad hoc review groups to refine the overall performance indicators and to develop background for each unit. By April 1986, each utility had developed long-term goals for each unit. By April 1986, each utility had developed long-term goals for most of the overall indicators. These goals represent a commitment to achievement of excellence when applied to the day-to-day conduct of plant operations, and provide a framework for action

  5. Examples and applications in long-range ocean acoustics

    International Nuclear Information System (INIS)

    Vera, M D

    2007-01-01

    Acoustic energy propagates effectively to long ranges in the ocean interior because of the physical properties of the marine environment. Sound propagation in the ocean is relevant to a variety of studies in communication, climatology and marine biology. Examples drawn from ocean acoustics, therefore, are compelling to students with a variety of interests. The dependence of sound speed on depth results in a waveguide that permits the detection of acoustic energy at ranges, in some experiments, of thousands of kilometres. This effect serves as an illustration of Snell's law with a continuously variable index of refraction. Acoustic tomography also offers a means for imaging the ocean's thermal structure, because of the dependence of sound speed on temperature. The ability to perform acoustic thermometry for large transects of the ocean provides an effective means of studying climate change. This application in an area of substantial popular attention allows for an effective introduction to concepts in ray propagation. Aspects of computational ocean acoustics can be productive classroom examples in courses ranging from introductory physics to upper-division mathematical methods courses

  6. Individual differences in long-range time representation.

    Science.gov (United States)

    Agostino, Camila S; Caetano, Marcelo S; Balci, Fuat; Claessens, Peter M E; Zana, Yossi

    2017-04-01

    On the basis of experimental data, long-range time representation has been proposed to follow a highly compressed power function, which has been hypothesized to explain the time inconsistency found in financial discount rate preferences. The aim of this study was to evaluate how well linear and power function models explain empirical data from individual participants tested in different procedural settings. The line paradigm was used in five different procedural variations with 35 adult participants. Data aggregated over the participants showed that fitted linear functions explained more than 98% of the variance in all procedures. A linear regression fit also outperformed a power model fit for the aggregated data. An individual-participant-based analysis showed better fits of a linear model to the data of 14 participants; better fits of a power function with an exponent β > 1 to the data of 12 participants; and better fits of a power function with β discount rates in intertemporal choice to the compressed nature of subjective time must entail the characterization of subjective time on an individual-participant basis.

  7. Research on long-range grating interferometry with nanometer resolution

    International Nuclear Information System (INIS)

    Chu, Xingchun; Zhao, Shanghong; Lü, Haibao

    2008-01-01

    Grating interferometry that features long range and nanometer resolution is presented. The optical system was established based on a single long metrology grating. The large fringe multiplication was achieved by properly selecting two high-order diffraction beams to form a fringe pattern. The fringe pattern collected by a linear array was first tailored to a few multiples of fringes in order to suppress the effect of the energy leakage on phase-extracting precision when the fast Fourier transform (FFT) algorithm was used to calculate its phase. Thus, the phase-extracting precision of a tailored fringe pattern by FFT was greatly improved. Based on this, a novel subdividing method, which exploited the time-shift property of FFT, was developed to subdivide the fringe with large multiple and high accuracy. Numerical results show that the system resolution reaches 1 nm. The experimental results obtained against a capacitive sensor in the sub-mm range show that the measurement precision of the system is less than 10 nm. (technical design note)

  8. Long-range position and orientation tracking system

    International Nuclear Information System (INIS)

    Armstrong, G.A.; Jansen, J.F.; Burks, B.L.

    1995-01-01

    The long-range position and orientation tracking system will consist of two measurement pods, a VME-based computer system, and a detector array. The system is used to measure the position and orientation of a target that may be attached to a robotic arm, teleoperated manipulator, or autonomous vehicle. The pods have been designed to be mounted in the manways of the domes of the Fernald K-65 waste silos. Each pod has two laser scanner subsystems as well as lights and camera systems. One of the laser scanners will be oriented to scan in the pan direction, the other in the tilt direction. As the lasers scan across the detector array, the angles of incidence with each detector are recorded. Combining measurements from each of the four lasers yields sufficient data for a closed-form solution of the transform describing the location and orientation of the content mobilization system (CMS). Redundant detectors will be placed on the CMS to accommodate occlusions, to provide improved measurement accuracy, and to determine the CMS orientation

  9. Nonequilibrium statistical mechanics of systems with long-range interactions

    Energy Technology Data Exchange (ETDEWEB)

    Levin, Yan, E-mail: levin@if.ufrgs.br; Pakter, Renato, E-mail: pakter@if.ufrgs.br; Rizzato, Felipe B., E-mail: rizzato@if.ufrgs.br; Teles, Tarcísio N., E-mail: tarcisio.teles@fi.infn.it; Benetti, Fernanda P.C., E-mail: fbenetti@if.ufrgs.br

    2014-02-01

    Systems with long-range (LR) forces, for which the interaction potential decays with the interparticle distance with an exponent smaller than the dimensionality of the embedding space, remain an outstanding challenge to statistical physics. The internal energy of such systems lacks extensivity and additivity. Although the extensivity can be restored by scaling the interaction potential with the number of particles, the non-additivity still remains. Lack of additivity leads to inequivalence of statistical ensembles. Before relaxing to thermodynamic equilibrium, isolated systems with LR forces become trapped in out-of-equilibrium quasi-stationary states (qSSs), the lifetime of which diverges with the number of particles. Therefore, in the thermodynamic limit LR systems will not relax to equilibrium. The qSSs are attained through the process of collisionless relaxation. Density oscillations lead to particle–wave interactions and excitation of parametric resonances. The resonant particles escape from the main cluster to form a tenuous halo. Simultaneously, this cools down the core of the distribution and dampens out the oscillations. When all the oscillations die out the ergodicity is broken and a qSS is born. In this report, we will review a theory which allows us to quantitatively predict the particle distribution in the qSS. The theory is applied to various LR interacting systems, ranging from plasmas to self-gravitating clusters and kinetic spin models.

  10. Los Alamos Scientific Laboratory long-range alarm system

    International Nuclear Information System (INIS)

    DesJardin, R.; Machanik, J.

    1980-01-01

    The Los Alamos Scientific Laboratory (LASL) Long-Range Alarm System is described. The last few years have brought significant changes in the Department of Energy regulations for protection of classified documents and special nuclear material. These changes in regulations have forced a complete redesign of the LASL security alarm system. LASL covers many square miles of varying terrain and consists of separate technical areas connected by public roads and communications. A design study over a period of 2 years produced functional specifications for a distributed intelligence, expandable alarm system that will handle 30,000 alarm points from hundreds of data concentrators spread over a 250-km 2 area. Emphasis in the design was on nonstop operation, data security, data communication, and upward expandability to incorporate fire alarms and the computer-aided dispatching of security and fire vehicles. All aspects of the alarm system were to be fault tolerant from the central computer system down to but not including the individual data concentrators. Redundant communications lines travel over public domain from the alarmed area to the central alarm station

  11. Long-range epidemic spreading in a random environment.

    Science.gov (United States)

    Juhász, Róbert; Kovács, István A; Iglói, Ferenc

    2015-03-01

    Modeling long-range epidemic spreading in a random environment, we consider a quenched, disordered, d-dimensional contact process with infection rates decaying with distance as 1/rd+σ. We study the dynamical behavior of the model at and below the epidemic threshold by a variant of the strong-disorder renormalization-group method and by Monte Carlo simulations in one and two spatial dimensions. Starting from a single infected site, the average survival probability is found to decay as P(t)∼t-d/z up to multiplicative logarithmic corrections. Below the epidemic threshold, a Griffiths phase emerges, where the dynamical exponent z varies continuously with the control parameter and tends to zc=d+σ as the threshold is approached. At the threshold, the spatial extension of the infected cluster (in surviving trials) is found to grow as R(t)∼t1/zc with a multiplicative logarithmic correction and the average number of infected sites in surviving trials is found to increase as Ns(t)∼(lnt)χ with χ=2 in one dimension.

  12. Boundary layer parameterizations and long-range transport

    International Nuclear Information System (INIS)

    Irwin, J.S.

    1992-01-01

    A joint work group between the American Meteorological Society (AMS) and the EPA is perusing the construction of an air quality model that incorporates boundary layer parameterizations of dispersion and transport. This model could replace the currently accepted model, the Industrial Source Complex (ISC) model. The ISC model is a Gaussian-plume multiple point-source model that provides for consideration of fugitive emissions, aerodynamic wake effects, gravitational settling and dry deposition. A work group of several Federal and State agencies is perusing the construction of an air quality modeling system for use in assessing and tracking visibility impairment resulting from long-range transport of pollutants. The modeling system is designed to use the hourly vertical profiles of wind, temperature and moisture resulting from a mesoscale meteorological processor that employs four dimensional data assimilation (FDDA). FDDA involves adding forcing functions to the governing model equations to gradually ''nudge'' the model state toward the observations (12-hourly upper air observations of wind, temperature and moisture, and 3-hourly surface observations of wind and moisture). In this way it is possible to generate data sets whose accuracy, in terms of transport, precipitation, and dynamic consistency is superior to both direct interpolation of synoptic-scale analyses of observations and purely predictive mode model result. (AB) ( 19 refs.)

  13. Two general models that generate long range correlation

    Science.gov (United States)

    Gan, Xiaocong; Han, Zhangang

    2012-06-01

    In this paper we study two models that generate sequences with LRC (long range correlation). For the IFT (inverse Fourier transform) model, our conclusion is the low frequency part leads to LRC, while the high frequency part tends to eliminate it. Therefore, a typical method to generate a sequence with LRC is multiplying the spectrum of a white noise sequence by a decaying function. A special case is analyzed: the linear combination of a smooth curve and a white noise sequence, in which the DFA plot consists of two line segments. For the patch model, our conclusion is long subsequences leads to LRC, while short subsequences tend to eliminate it. Therefore, we can generate a sequence with LRC by using a fat-tailed PDF (probability distribution function) of the length of the subsequences. A special case is also analyzed: if a patch model with long subsequences is mixed with a white noise sequence, the DFA plot will consist of two line segments. We have checked known models and actual data, and found they are all consistent with this study.

  14. Long-range interaction between heterogeneously charged membranes.

    Science.gov (United States)

    Jho, Y S; Brewster, R; Safran, S A; Pincus, P A

    2011-04-19

    Despite their neutrality, surfaces or membranes with equal amounts of positive and negative charge can exhibit long-range electrostatic interactions if the surface charge is heterogeneous; this can happen when the surface charges form finite-size domain structures. These domains can be formed in lipid membranes where the balance of the different ranges of strong but short-ranged hydrophobic interactions and longer-ranged electrostatic repulsion result in a finite, stable domain size. If the domain size is large enough, oppositely charged domains in two opposing surfaces or membranes can be strongly correlated by the electrostatic interactions; these correlations give rise to an attractive interaction of the two membranes or surfaces over separations on the order of the domain size. We use numerical simulations to demonstrate the existence of strong attractions at separations of tens of nanometers. Large line tensions result in larger domains but also increase the charge density within the domain. This promotes correlations and, as a result, increases the intermembrane attraction. On the other hand, increasing the salt concentration increases both the domain size and degree of domain anticorrelation, but the interactions are ultimately reduced due to increased screening. The result is a decrease in the net attraction as salt concentration is increased. © 2011 American Chemical Society

  15. Charge-transfer properties in the gas electron multiplier

    International Nuclear Information System (INIS)

    Han, Sanghyo; Kim, Yongkyun; Cho, Hyosung

    2004-01-01

    The charge transfer properties of a gas electron multiplier (GEM) were systematically investigated over a broad range of electric field configurations. The electron collection efficiency and the charge sharing were found to depend on the external fields, as well as on the GEM voltage. The electron collection efficiency increased with the collection field up to 90%, but was essentially independent of the drift field strength. A double conical GEM has a 10% gain increase with time due to surface charging by avalanche ions whereas this effect was eliminated with the cylindrical GEM. The positive-ion feedback is also estimated. (author)

  16. Exploring flavor-dependent long-range forces in long-baseline neutrino oscillation experiments

    Science.gov (United States)

    Chatterjee, Sabya Sachi; Dasgupta, Arnab; Agarwalla, Sanjib Kumar

    2015-12-01

    The Standard Model gauge group can be extended with minimal matter content by introducing anomaly free U(1) symmetry, such as L e - L μ or L e - L τ . If the neutral gauge boson corresponding to this abelian symmetry is ultra-light, then it will give rise to flavor-dependent long-range leptonic force, which can have significant impact on neutrino oscillations. For an instance, the electrons inside the Sun can generate a flavor-dependent long-range potential at the Earth surface, which can suppress the ν μ → ν e appearance probability in terrestrial experiments. The sign of this potential is opposite for anti-neutrinos, and affects the oscillations of (anti-)neutrinos in different fashion. This feature invokes fake CP-asymmetry like the SM matter effect and can severely affect the leptonic CP-violation searches in long-baseline experiments. In this paper, we study in detail the possible impacts of these long-range flavor-diagonal neutral current interactions due to L e - L μ symmetry, when (anti-)neutrinos travel from Fermilab to Homestake (1300 km) and CERN to Pyhäsalmi (2290 km) in the context of future high-precision superbeam facilities, DUNE and LBNO respectively. If there is no signal of long-range force, DUNE (LBNO) can place stringent constraint on the effective gauge coupling α eμ < 1.9 × 10-53 (7.8 × 10-54) at 90% C.L., which is almost 30 (70) times better than the existing bound from the Super-Kamiokande experiment. We also observe that if α eμ ≥ 2 × 10-52, the CP-violation discovery reach of these future facilities vanishes completely. The mass hierarchy measurement remains robust in DUNE (LBNO) if α eμ < 5 × 10-52 (10-52).

  17. Control of Electron Transfer from Lead-Salt Nanocrystals to TiO 2

    KAUST Repository

    Hyun, Byung-Ryool; Bartnik, A. C.; Sun, Liangfeng; Hanrath, Tobias; Wise, F. W.

    2011-01-01

    The roles of solvent reorganization energy and electronic coupling strength on the transfer of photoexcited electrons from PbS nanocrystals to TiO 2 nanoparticles are investigated. We find that the electron transfer depends only weakly

  18. Doping Phosphorene with Holes and Electrons through Molecular Charge Transfer.

    Science.gov (United States)

    Vishnoi, Pratap; Rajesh, S; Manjunatha, S; Bandyopadhyay, Arkamita; Barua, Manaswee; Pati, Swapan K; Rao, C N R

    2017-11-03

    An important aspect of phosphorene, the novel two-dimensional semiconductor, is whether holes and electrons can both be doped in this material. Some reports found that only electrons can be preferentially doped into phosphorene. There are some theoretical calculations showing charge-transfer interaction with both tetrathiafulvalene (TTF) and tetracyanoethylene (TCNE). We have carried out an investigation of chemical doping of phosphorene by a variety of electron donor and acceptor molecules, employing both experiment and theory, Raman scattering being a crucial aspect of the study. We find that both electron acceptors and donors interact with phosphorene by charge-transfer, with the acceptors having more marked effects. All the three Raman bands of phosphorene soften and exhibit band broadening on interaction with both donor and acceptor molecules. First-principles calculations establish the occurrence of charge-transfer between phosphorene with donors as well as acceptors. The absence of electron-hole asymmetry is noteworthy. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Vibrationally Assisted Electron Transfer Mechanism of Olfaction: Myth or Reality?

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Chang, Po-Yao; Schulten, Klaus

    2012-01-01

    to this suggestion an olfactory receptor is activated by electron transfer assisted through odorant vibrational excitation. The hundreds to thousands of different olfactory receptors in an animal recognize odorants over a discriminant landscape with surface properties and vibrational frequencies as the two major...... dimensions. In the present paper we introduce the vibrationally assisted mechanism of olfaction and demonstrate for several odorants that, indeed, a strong enhancement of an electron tunneling rate due to odorant vibrations can arise. We discuss in this regard the influence of odorant deuteration and explain...... olfactory receptors and odorants must obey for the vibrationally assisted electron transfer mechanism to function. We argue that the stated characteristics are feasible for realistic olfactory receptors, noting, though, that the receptor structure presently is still unknown, but can be studied through...

  20. Syntrophic Growth via Quinone-Mediated Interspecies Electron Transfer

    Directory of Open Access Journals (Sweden)

    Jessica A Smith

    2015-02-01

    Full Text Available The mechanisms by which microbial species exchange electrons are of interest because interspecies electron transfer can expand the metabolic capabilities of microbial communities. Previous studies with the humic substance analog anthraquinone-2,6-disulfonate (AQDS suggested that quinone-mediated interspecies electron transfer (QUIET is feasible, but it was not determined if sufficient energy is available from QUIET to support the growth of both species. Furthermore, there have been no previous studies on the mechanisms for the oxidation of anthrahydroquinone-2,6-disulfonate (AHQDS. A co-culture of Geobacter metallireducens and Geobacter sulfurreducens metabolized ethanol with the reduction of fumarate much faster in the presence of AQDS, and there was an increase in cell protein. G. sulfurreducens was more abundant, consistent with G. sulfurreducens obtaining electrons from acetate that G. metallireducens produced from ethanol, as well as from AHQDS. Cocultures initiated with a citrate synthase-deficient strain of G. sulfurreducens that was unable to use acetate as an electron donor also metabolized ethanol with the reduction of fumarate and cell growth, but acetate accumulated over time. G. sulfurreducens and G. metallireducens were equally abundant in these co-cultures reflecting the inability of the citrate synthase-deficient strain of G. sulfurreducens to metabolize acetate. Evaluation of the mechanisms by which G. sulfurreducens accepts electrons from AHQDS demonstrated that a strain deficient in outer-surface c-type cytochromes that are required for AQDS reduction was as effective at QUIET as the wild-type strain. Deletion of additional genes previously implicated in extracellular electron transfer also had no impact on QUIET. These results demonstrate that QUIET can yield sufficient energy to support the growth of both syntrophic partners, but that the mechanisms by which electrons are derived from extracellular hydroquinones require

  1. Epidemic spreading in networks with nonrandom long-range interactions

    Science.gov (United States)

    Estrada, Ernesto; Kalala-Mutombo, Franck; Valverde-Colmeiro, Alba

    2011-09-01

    An “infection,” understood here in a very broad sense, can be propagated through the network of social contacts among individuals. These social contacts include both “close” contacts and “casual” encounters among individuals in transport, leisure, shopping, etc. Knowing the first through the study of the social networks is not a difficult task, but having a clear picture of the network of casual contacts is a very hard problem in a society of increasing mobility. Here we assume, on the basis of several pieces of empirical evidence, that the casual contacts between two individuals are a function of their social distance in the network of close contacts. Then, we assume that we know the network of close contacts and infer the casual encounters by means of nonrandom long-range (LR) interactions determined by the social proximity of the two individuals. This approach is then implemented in a susceptible-infected-susceptible (SIS) model accounting for the spread of infections in complex networks. A parameter called “conductance” controls the feasibility of those casual encounters. In a zero conductance network only contagion through close contacts is allowed. As the conductance increases the probability of having casual encounters also increases. We show here that as the conductance parameter increases, the rate of propagation increases dramatically and the infection is less likely to die out. This increment is particularly marked in networks with scale-free degree distributions, where infections easily become epidemics. Our model provides a general framework for studying epidemic spreading in networks with arbitrary topology with and without casual contacts accounted for by means of LR interactions.

  2. Epidemic spreading in networks with nonrandom long-range interactions.

    Science.gov (United States)

    Estrada, Ernesto; Kalala-Mutombo, Franck; Valverde-Colmeiro, Alba

    2011-09-01

    An "infection," understood here in a very broad sense, can be propagated through the network of social contacts among individuals. These social contacts include both "close" contacts and "casual" encounters among individuals in transport, leisure, shopping, etc. Knowing the first through the study of the social networks is not a difficult task, but having a clear picture of the network of casual contacts is a very hard problem in a society of increasing mobility. Here we assume, on the basis of several pieces of empirical evidence, that the casual contacts between two individuals are a function of their social distance in the network of close contacts. Then, we assume that we know the network of close contacts and infer the casual encounters by means of nonrandom long-range (LR) interactions determined by the social proximity of the two individuals. This approach is then implemented in a susceptible-infected-susceptible (SIS) model accounting for the spread of infections in complex networks. A parameter called "conductance" controls the feasibility of those casual encounters. In a zero conductance network only contagion through close contacts is allowed. As the conductance increases the probability of having casual encounters also increases. We show here that as the conductance parameter increases, the rate of propagation increases dramatically and the infection is less likely to die out. This increment is particularly marked in networks with scale-free degree distributions, where infections easily become epidemics. Our model provides a general framework for studying epidemic spreading in networks with arbitrary topology with and without casual contacts accounted for by means of LR interactions.

  3. Autonomous long-range open area fire detection and reporting

    Science.gov (United States)

    Engelhaupt, Darell E.; Reardon, Patrick J.; Blackwell, Lisa; Warden, Lance; Ramsey, Brian D.

    2005-03-01

    Approximately 5 billion dollars in US revenue was lost in 2003 due to open area fires. In addition many lives are lost annually. Early detection of open area fires is typically performed by manned observatories, random reporting and aerial surveillance. Optical IR flame detectors have been developed previously. They typically have experienced high false alarms and low flame detection sensitivity due to interference from solar and other causes. Recently a combination of IR detectors has been used in a two or three color mode to reduce false alarms from solar, or background sources. A combination of ultra-violet C (UVC) and near infra-red (NIR) detectors has also been developed recently for flame discrimination. Relatively solar-blind basic detectors are now available but typically detect at only a few tens of meters at ~ 1 square meter fuel flame. We quantify the range and solar issues for IR and visible detectors and qualitatively define UV sensor requirements in terms of the mode of operation, collection area issues and flame signal output by combustion photochemistry. We describe innovative flame signal collection optics for multiple wavelengths using UV and IR as low false alarm detection of open area fires at long range (8-10 km/m2) in daylight (or darkness). A circular array detector and UV-IR reflective and refractive devices including cylindrical or toroidal lens elements for the IR are described. The dispersion in a refractive cylindrical IR lens characterizes the fire and allows a stationary line or circle generator to locate the direction and different flame IR "colors" from a wide FOV. The line generator will produce spots along the line corresponding to the fire which can be discriminated with a linear detector. We demonstrate prototype autonomous sensors with RF digital reporting from various sites.

  4. Transition Metal Donor-Peptide-Acceptor Complexes: From Intramolecular Electron Transfer Reactions to the Study of Reactive Intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Isied, Stephan S.

    2003-03-11

    The trans-polyproline (PII) oligomers (Figure 1) are unusually rigid peptide structures which have been extensively studied by our group for peptide mediated intramolecular electron transfer (ET) at long distances. We have previously studied ET across a series of metal ion donor (D) acceptor (A) oligoproline peptides with different distances, driving forces and reorganizational energies. The majority of these experiments involve generating the ET intermediate using pulse radiolysis methods, although more recently photochemical methods are also used. Results of these studies showed that ET across peptides can vary by more than twelve orders of magnitude. Using ruthenium bipyridine donors, ET reaction rate constants across several proline residues (n = 4 - 9) occurred in the millisecond (ms) to {micro}s timescale, thus limiting the proline peptide conformational motions to only minor changes (far smaller than the large changes that occur on the ms to sec timescale, such as trans to cis proline isomerization). The present report describes our large data base of experimental results for D-peptide-A complexes in terms of a model where the involvement of both superexchange and hopping (hole and electron) mechanisms account for the long range ET rate constants observed. Our data shows that the change from superexchange to hopping mechanisms occurs at different distances depending on the type of D and A and their interactions with the peptides. Our model is also consistent with generalized models for superexchange and hopping which have been put forward by a number of theoretical groups to account for long range ET phenomena.

  5. Note: long-range scanning tunneling microscope for the study of nanostructures on insulating substrates.

    Science.gov (United States)

    Molina-Mendoza, Aday J; Rodrigo, José G; Island, Joshua; Burzuri, Enrique; Rubio-Bollinger, Gabino; van der Zant, Herre S J; Agraït, Nicolás

    2014-02-01

    The scanning tunneling microscope (STM) is a powerful tool for studying the electronic properties at the atomic level, however, it is of relatively small scanning range and the fact that it can only operate on conducting samples prevents its application to study heterogeneous samples consisting of conducting and insulating regions. Here we present a long-range scanning tunneling microscope capable of detecting conducting micro and nanostructures on insulating substrates using a technique based on the capacitance between the tip and the sample and performing STM studies.

  6. Note: Long-range scanning tunneling microscope for the study of nanostructures on insulating substrates

    Energy Technology Data Exchange (ETDEWEB)

    Molina-Mendoza, Aday J., E-mail: aday.molina@uam.es [Departamento de Física de la Materia Condensada, Universidad Autónoma de Madrid, Campus de Cantoblanco, E-28049 Madrid (Spain); Rodrigo, José G.; Rubio-Bollinger, Gabino [Departamento de Física de la Materia Condensada, Universidad Autónoma de Madrid, Campus de Cantoblanco, E-28049 Madrid (Spain); Condensed Matter Physics Center (IFIMAC) and Instituto Universitario de Ciencia de Materiales “Nicolás Cabrera,” Universidad Autónoma de Madrid, Campus de Cantoblanco, E-28049 Madrid (Spain); Island, Joshua; Burzuri, Enrique; Zant, Herre S. J. van der [Kavli Institute of Nanoscience, Delft University of Technology, P.O. Box 5046, 2600 GA Delft (Netherlands); Agraït, Nicolás [Departamento de Física de la Materia Condensada, Universidad Autónoma de Madrid, Campus de Cantoblanco, E-28049 Madrid (Spain); Condensed Matter Physics Center (IFIMAC) and Instituto Universitario de Ciencia de Materiales “Nicolás Cabrera,” Universidad Autónoma de Madrid, Campus de Cantoblanco, E-28049 Madrid (Spain); Instituto Madrileño de Estudios Avanzados en Nanociencia IMDEA-Nanociencia, E-28049 Madrid (Spain)

    2014-02-15

    The scanning tunneling microscope (STM) is a powerful tool for studying the electronic properties at the atomic level, however, it is of relatively small scanning range and the fact that it can only operate on conducting samples prevents its application to study heterogeneous samples consisting of conducting and insulating regions. Here we present a long-range scanning tunneling microscope capable of detecting conducting micro and nanostructures on insulating substrates using a technique based on the capacitance between the tip and the sample and performing STM studies.

  7. Electron transfer by excited benzoquinone anions: slow rates for two-electron transitions.

    Science.gov (United States)

    Zamadar, Matibur; Cook, Andrew R; Lewandowska-Andralojc, Anna; Holroyd, Richard; Jiang, Yan; Bikalis, Jin; Miller, John R

    2013-09-05

    Electron transfer (ET) rate constants from the lowest excited state of the radical anion of benzoquinone, BQ(-•)*, were measured in THF solution. Rate constants for bimolecular electron transfer reactions typically reach the diffusion-controlled limit when the free-energy change, ΔG°, reaches -0.3 eV. The rate constants for ET from BQ(-•)* are one-to-two decades smaller at this energy and do not reach the diffusion-controlled limit until -ΔG° is 1.5-2.0 eV. The rates are so slow probably because a second electron must also undergo a transition to make use of the energy of the excited state. Similarly, ET, from solvated electrons to neutral BQ to form the lowest excited state, is slow, while fast ET is observed at a higher excited state, which can be populated in a transition involving only one electron. A simple picture based on perturbation theory can roughly account for the control of electron transfer by the need for transition of a second electron. The picture also explains how extra driving force (-ΔG°) can restore fast rates of electron transfer.

  8. Mechanisms for Electron Transfer Through Pili to Fe(III) Oxide in Geobacter

    Energy Technology Data Exchange (ETDEWEB)

    Lovley, Derek R. [Univ. of Massachusetts, Amherst, MA (United States)

    2015-03-09

    that electron conduction along pili is a better strategy for Fe(III) oxide reduction under conditions found in the subsurface than producing an electron shuttle. The role of pili in uranium reduction was also elucidated. Our results are the first example of metallic-like conductivity in a biological protein and represent a paradigm shift in the understanding of long-range biological electron transport. The results are of importance not only for understanding subsurface microbial processes involved in the mobility of metal contaminants and carbon cycling, but also make a basic contribution to microbiology and the emerging field of bioelectronics.

  9. Electron Transfer Strategies Regulate Carbonate Mineral and Micropore Formation

    Science.gov (United States)

    Zeng, Zhirui; Tice, Michael M.

    2018-01-01

    Some microbial carbonates are robust biosignatures due to their distinct morphologies and compositions. However, whether carbonates induced by microbial iron reduction have such features is unknown. Iron-reducing bacteria use various strategies to transfer electrons to iron oxide minerals (e.g., membrane-bound enzymes, soluble electron shuttles, nanowires, as well as different mechanisms for moving over or attaching to mineral surfaces). This diversity has the potential to create mineral biosignatures through manipulating the microenvironments in which carbonate precipitation occurs. We used Shewanella oneidensis MR-1, Geothrix fermentans, and Geobacter metallireducens GS-15, representing three different strategies, to reduce solid ferric hydroxide in order to evaluate their influence on carbonate and micropore formation (micro-size porosity in mineral rocks). Our results indicate that electron transfer strategies determined the morphology (rhombohedral, spherical, or long-chained) of precipitated calcium-rich siderite by controlling the level of carbonate saturation and the location of carbonate formation. Remarkably, electron transfer strategies also produced distinctive cell-shaped micropores in both carbonate and hydroxide minerals, thus producing suites of features that could potentially serve as biosignatures recording information about the sizes, shapes, and physiologies of iron-reducing organisms.

  10. Electron transfer oxidation of DNA radicals by paranitroacetophenone

    Energy Technology Data Exchange (ETDEWEB)

    Whillans, D W; Adams, G E [Mount Vernon Hospital, Northwood (UK)

    1975-12-01

    The reaction of a typical electron-affinic sensitizer, paranitroacetophenone (PNAP) with the model compounds thymine, thymidine, thymidylic acid, deoxyribose and single and double-stranded DNA has been investigated by pulse radiolysis. Radicals formed by one-electron reduction of the bases and of DNA reacted rapidly and efficiently with PNAP by electron transfer. A small yield of transfer (< 10 per cent) was also observed arising from oxidation of the radicals formed by the small proportion of OH which reacted at the sugar moieties in DNA. In contrast, electron transfer oxidation by PNAP of radicals formed by the addition of OH to the base moieties, e.g. thymine, was not an efficient process. Further, addition of the sensitizer to the thymine OH-adduct proceeded at a rate that was too low to measure the pulse radiolysis. We conclude that, since the major sites of OH reaction by DNA are the heterocyclic bases (> 80 per cent), oxidation of the resultant radicals is unlikely to be a major step in the mechanism of sensitization by this typical hypoxic-cell sensitizer.

  11. Electron Transfer Mechanisms of DNA Repair by Photolyase

    Science.gov (United States)

    Zhong, Dongping

    2015-04-01

    Photolyase is a flavin photoenzyme that repairs two DNA base damage products induced by ultraviolet (UV) light: cyclobutane pyrimidine dimers and 6-4 photoproducts. With femtosecond spectroscopy and site-directed mutagenesis, investigators have recently made significant advances in our understanding of UV-damaged DNA repair, and the entire enzymatic dynamics can now be mapped out in real time. For dimer repair, six elementary steps have been characterized, including three electron transfer reactions and two bond-breaking processes, and their reaction times have been determined. A unique electron-tunneling pathway was identified, and the critical residues in modulating the repair function at the active site were determined. The dynamic synergy between the elementary reactions for maintaining high repair efficiency was elucidated, and the biological nature of the flavin active state was uncovered. For 6-4 photoproduct repair, a proton-coupled electron transfer repair mechanism has been revealed. The elucidation of electron transfer mechanisms and two repair photocycles is significant and provides a molecular basis for future practical applications, such as in rational drug design for curing skin cancer.

  12. Electron Transfer between Electrically Conductive Minerals and Quinones

    Directory of Open Access Journals (Sweden)

    Olga Taran

    2017-07-01

    Full Text Available Long-distance electron transfer in marine environments couples physically separated redox half-reactions, impacting biogeochemical cycles of iron, sulfur and carbon. Bacterial bio-electrochemical systems that facilitate electron transfer via conductive filaments or across man-made electrodes are well-known, but the impact of abiotic currents across naturally occurring conductive and semiconductive minerals is poorly understood. In this paper I use cyclic voltammetry to explore electron transfer between electrodes made of common iron minerals (magnetite, hematite, pyrite, pyrrhotite, mackinawite, and greigite, and hydroquinones—a class of organic molecules found in carbon-rich sediments. Of all tested minerals, only pyrite and magnetite showed an increase in electric current in the presence of organic molecules, with pyrite showing excellent electrocatalytic performance. Pyrite electrodes performed better than commercially available glassy carbon electrodes and showed higher peak currents, lower overpotential values and a smaller separation between oxidation and reduction peaks for each tested quinone. Hydroquinone oxidation on pyrite surfaces was reversible, diffusion controlled, and stable over a large number of potential cycles. Given the ubiquity of both pyrite and quinones, abiotic electron transfer between minerals and organic molecules is likely widespread in Nature and may contribute to several different phenomena, including anaerobic respiration of a wide variety of microorganisms in temporally anoxic zones or in the proximity of hydrothermal vent chimneys, as well as quinone cycling and the propagation of anoxic zones in organic rich waters. Finally, interactions between pyrite and quinones make use of electrochemical gradients that have been suggested as an important source of energy for the origins of life on Earth. Ubiquinones and iron sulfide clusters are common redox cofactors found in electron transport chains across all domains

  13. Electron Transfer Between Electrically Conductive Minerals and Quinones

    Science.gov (United States)

    Taran, Olga

    2017-07-01

    Long-distance electron transfer in marine environments couples physically separated redox half-reactions, impacting biogeochemical cycles of iron, sulfur and carbon. Bacterial bio-electrochemical systems that facilitate electron transfer via conductive filaments or across man-made electrodes are well known, but the impact of abiotic currents across naturally occurring conductive and semiconducitve minerals is poorly understood. In this paper I use cyclic voltammetry to explore electron transfer between electrodes made of common iron minerals (magnetite, hematite, pyrite, pyrrhotite, mackinawite and greigite), and hydroquinones - a class of organic molecules found in carbon-rich sediments. Of all tested minerals, only pyrite and magnetite showed an increase in electric current in the presence of organic molecules, with pyrite showing excellent electrocatalytic performance. Pyrite electrodes performed better than commercially available glassy carbon electrodes and showed higher peak currents, lower overpotential values and a smaller separation between oxidation and reduction peaks for each tested quinone. Hydroquinone oxidation on pyrite surfaces was reversible, diffusion controlled, and stable over a large number of potential cycles. Given the ubiquity of both pyrite and quinones, abiotic electron transfer between minerals and organic molecules is likely widespread in Nature and may contribute to several different phenomena, including anaerobic respiration of a wide variety of microorganisms in temporally anoxic zones or in the proximity of hydrothermal vent chimneys, as well as quinone cycling and the propagation of anoxic zones in organic rich waters. Finally, interactions between pyrite and quinones make use of electrochemical gradients that have been suggested as an important source of energy for the origins of life on Earth. Ubiquinones and iron sulfide clusters are common redox cofactors found in electron transport chains across all domains of life and

  14. Electron transfer and energy transfer reactions in photoexcited a-nonathiophene/C60 films and solutions

    NARCIS (Netherlands)

    Janssen, R.A.J.; Moses, D.; Sariciftci, N.S.; Heeger, A.J.

    1994-01-01

    Photoexcitation of a nonathiophene in film or solution across the p-p* energy gap produces a metastable triplet state. In the presence of C60, on the other hand, an ultra fast electron transfer from the photoexcited nonathiophene onto C60 is observed in films, whereas in solution C60 is involved in

  15. Evaluation of long-range transport models in NOVANA

    International Nuclear Information System (INIS)

    Frohn, L.M.; Brandt, J.; Christensen, J.H.; Geels, C.; Hertel, O.; Skjoeth, C.A.; Ellemann, T.

    2007-01-01

    as good as the performance of the ACDEP model, and for the majority of the chemical parameters the performance of DEHM is better than the performance of ACDEP when model results are compared to measurements. This result is expected since the description of the long-range transport of air pollution, which contributes significantly to the concentration levels in Denmark, is better in DEHM. (BA)

  16. DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

    Science.gov (United States)

    Humeniuk, Alexander; Mitrić, Roland

    2017-12-01

    A software package, called DFTBaby, is published, which provides the electronic structure needed for running non-adiabatic molecular dynamics simulations at the level of tight-binding DFT. A long-range correction is incorporated to avoid spurious charge transfer states. Excited state energies, their analytic gradients and scalar non-adiabatic couplings are computed using tight-binding TD-DFT. These quantities are fed into a molecular dynamics code, which integrates Newton's equations of motion for the nuclei together with the electronic Schrödinger equation. Non-adiabatic effects are included by surface hopping. As an example, the program is applied to the optimization of excited states and non-adiabatic dynamics of polyfluorene. The python and Fortran source code is available at http://www.dftbaby.chemie.uni-wuerzburg.de.

  17. Electron-electron interaction and transfer ionization in fast ion-atom collisions

    International Nuclear Information System (INIS)

    Voitkiv, A B

    2008-01-01

    Recently it was pointed out that electron capture occurring in fast ion-atom collisions can proceed via a mechanism which earlier was not considered. In the present paper we study this mechanism in more detail. Similarly as in radiative capture, where the electron transfer occurs due to the interaction with the radiation field and proceeds via emission of a photon, within this mechanism the electron capture is caused by the interaction with another atomic electron leading mainly to the emission of the latter. In contrast to the electron-electron Thomas capture, this electron-electron (E-E) mechanism is basically a first-order one having similarities to the kinematic and radiative capture channels. It also possesses important differences with the latter two. Leading to transfer ionization, this first-order capture mechanism results in the electron emission mainly in the direction opposite to the motion of the projectile ion. The same, although less pronounced, feature is also characteristic for the momenta of the target recoil ions produced via this mechanism. It is also shown that the action of the E-E mechanism is clearly seen in recent experimental data on the transfer ionization in fast proton-helium collisions.

  18. Sensitivity of Electron Transfer Mediated Decay to Ion Pairing.

    Science.gov (United States)

    Pohl, Marvin N; Richter, Clemens; Lugovoy, Evgeny; Seidel, Robert; Slavíček, Petr; Aziz, Emad F; Abel, Bernd; Winter, Bernd; Hergenhahn, Uwe

    2017-08-17

    Ion pairing in electrolyte solutions remains a topic of discussion despite a long history of research. Very recently, nearest-neighbor mediated electronic de-excitation processes of core hole vacancies (electron transfer mediated decay, ETMD) were proposed to carry a spectral fingerprint of local solvation structure and in particular of contact ion pairs. Here, for the first time, we apply electron-electron coincidence detection to a liquid microjet, and record ETMD spectra of Li 1s vacancies in aqueous solutions of lithium chloride (LiCl) in direct comparison to lithium acetate (LiOAc). A change in the ETMD spectrum dependent on the electrolyte anion identity is observed for 4.5 M salt concentration. We discuss these findings within the framework of the formation and presence of contact ion pairs and the unique sensitivity of ETMD spectroscopy to ion pairing.

  19. Charge-transfer collisions involving few-electron systems

    International Nuclear Information System (INIS)

    Kirchner, T.

    2016-01-01

    Ion-atom collision systems that involve more than one electron constitute nonseparable few-body problems, whose full solution is difficult to say the least. At impact energies well below 1 keV/amu an expansion of the stationary scattering wave function in terms of a limited number of products of nuclear and molecular state wave functions (amended to satisfy scattering boundary conditions) is feasible and usually sufficient to obtain accurate charge-transfer cross sections provided the electronic wave functions include configuration interaction. At energies above 1 keV/amu this approach becomes inefficient and close-coupling methods within the semi classical approximation are better suited to treat the problem. For bare-ion collisions from helium target atoms explicit solutions of the two-electron time-dependent Schrödinger equation can be achieved, but are computationally costly and cannot be extended to problems which involve more than two electrons.

  20. Large scale oil lease automation and electronic custody transfer

    International Nuclear Information System (INIS)

    Price, C.R.; Elmer, D.C.

    1995-01-01

    Typically, oil field production operations have only been automated at fields with long term production profiles and enhanced recovery. The automation generally consists of monitoring and control at the wellhead and centralized facilities. However, Union Pacific Resources Co. (UPRC) has successfully implemented a large scale automation program for rapid-decline primary recovery Austin Chalk wells where purchasers buy and transport oil from each individual wellsite. This project has resulted in two significant benefits. First, operators are using the system to re-engineer their work processes. Second, an inter-company team created a new electronic custody transfer method. This paper will describe: the progression of the company's automation objectives in the area; the field operator's interaction with the system, and the related benefits; the research and development of the new electronic custody transfer method

  1. Photoinduced electron transfer in singly labeled thiouredopyrenetrisulfonate azurin derivatives

    DEFF Research Database (Denmark)

    Borovok, N; Kotlyar, A B; Pecht, I

    1999-01-01

    efficiency. TUPS derivatives of azurin, singly labeled at specific lysine residues, were prepared and purified to homogeneity by ion exchange HPLC. Transient absorption spectroscopy was used to directly monitor the rates of the electron transfer reaction from the photoexcited triplet state of TUPS to Cu......A novel method for the initiation of intramolecular electron transfer reactions in azurin is reported. The method is based on laser photoexcitation of covalently attached thiouredopyrenetrisulfonate (TUPS), the reaction that generates the low potential triplet state of the dye with high quantum......(II) and the back reaction from Cu(I) to the oxidized dye. For all singly labeled derivatives, the rate constants of copper ion reduction were one or two orders of magnitude larger than for its reoxidation, consistent with the larger thermodynamic driving force for the former process. Using 3-D coordinates...

  2. Ab Initio Analysis of Auger-Assisted Electron Transfer.

    Science.gov (United States)

    Hyeon-Deuk, Kim; Kim, Joonghan; Prezhdo, Oleg V

    2015-01-15

    Quantum confinement in nanoscale materials allows Auger-type electron-hole energy exchange. We show by direct time-domain atomistic simulation and analytic theory that Auger processes give rise to a new mechanism of charge transfer (CT) on the nanoscale. Auger-assisted CT eliminates the renown Marcus inverted regime, rationalizing recent experiments on CT from quantum dots to molecular adsorbates. The ab initio simulation reveals a complex interplay of the electron-hole and charge-phonon channels of energy exchange, demonstrating a variety of CT scenarios. The developed Marcus rate theory for Auger-assisted CT describes, without adjustable parameters, the experimental plateau of the CT rate in the region of large donor-acceptor energy gap. The analytic theory and atomistic insights apply broadly to charge and energy transfer in nanoscale systems.

  3. Syntrophic growth with direct interspecies electron transfer as the primary mechanism for energy exchange

    DEFF Research Database (Denmark)

    Shrestha, Pravin Malla; Rotaru, Amelia-Elena; Aklujkar, Muktak

    2013-01-01

    Direct interspecies electron transfer (DIET) through biological electrical connections is an alternative to interspecies H2 transfer as a mechanism for electron exchange in syntrophic cultures. However, it has not previously been determined whether electrons received via DIET yield energy...... dehydrogenase, the pilus-associated c-type cytochrome OmcS and pili consistent with electron transfer via DIET. These results suggest that electrons transferred via DIET can serve as the sole energy source to support anaerobic respiration....

  4. Long-range-corrected Rung 3.5 density functional approximations

    Science.gov (United States)

    Janesko, Benjamin G.; Proynov, Emil; Scalmani, Giovanni; Frisch, Michael J.

    2018-03-01

    Rung 3.5 functionals are a new class of approximations for density functional theory. They provide a flexible intermediate between exact (Hartree-Fock, HF) exchange and semilocal approximations for exchange. Existing Rung 3.5 functionals inherit semilocal functionals' limitations in atomic cores and density tails. Here we address those limitations using range-separated admixture of HF exchange. We present three new functionals. LRC-ωΠLDA combines long-range HF exchange with short-range Rung 3.5 ΠLDA exchange. SLC-ΠLDA combines short- and long-range HF exchange with middle-range ΠLDA exchange. LRC-ωΠLDA-AC incorporates a combination of HF, semilocal, and Rung 3.5 exchange in the short range, based on an adiabatic connection. We test these in a new Rung 3.5 implementation including up to analytic fourth derivatives. LRC-ωΠLDA and SLC-ΠLDA improve atomization energies and reaction barriers by a factor of 8 compared to the full-range ΠLDA. LRC-ωΠLDA-AC brings further improvement approaching the accuracy of standard long-range corrected schemes LC-ωPBE and SLC-PBE. The new functionals yield highest occupied orbital energies closer to experimental ionization potentials and describe correctly the weak charge-transfer complex of ethylene and dichlorine and the hole-spin distribution created by an Al defect in quartz. This study provides a framework for more flexible range-separated Rung 3.5 approximations.

  5. Fast Faraday fading of long range satellite signals.

    Science.gov (United States)

    Heron, M. L.

    1972-01-01

    20 MHz radio signals have been received during the day from satellite Beacon-B when it was below the optical horizon by using a bank of narrow filters to improve the signal to noise ratio. The Faraday fading rate becomes constant, under these conditions, at a level determined by the plasma frequency just below the F-layer peak. Variations in the Faraday fading rate reveal fluctuations in the electron density near the peak, while the rate of attaining the constant level depends on the shape of the electron density profile.

  6. Allenylidene Complexes of Ruthenium: Synthesis, Spectroscopy and Electron Transfer Properties

    Czech Academy of Sciences Publication Activity Database

    Winter, R. F.; Záliš, Stanislav

    2004-01-01

    Roč. 248, 15/16 (2004), s. 1565-1583 ISSN 0010-8545 R&D Projects: GA ČR GA203/03/0821; GA MŠk OC D14.20 Institutional research plan: CEZ:AV0Z4040901 Keywords : spectroscopy * allenylidine complexes of ruthenium * electron transfer Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.446, year: 2004

  7. Blocking layer modeling for temperature analysis of electron transfer ...

    African Journals Online (AJOL)

    In this article, we simulate thermal effects on the electron transfer rate from three quantum dots CdSe, CdS and CdTe to three metal oxides TiO2, SnO2 and ZnO2 in the presence of four blocking layers ZnS, ZnO, TiO2 and Al2O3, in a porous quantum dot sensitized solar cell (QDSSC) structure, using Marcus theory.

  8. Marcus wins nobel prize in chemistry for electron transfer theory

    International Nuclear Information System (INIS)

    Levi, B.G.

    1993-01-01

    This article describes the work of Rudolf Marcus of Caltech leading to his receipt of the 1992 Nobel Prize in Chemistry open-quotes for his contributions to the theory of electron transfer reactions in chemical systems.close quotes Applications of Marcus' theory include such diverse phenomena as photosynthesis, electrically conducting polymers, chemiluminescence, and corrosion. Historical aspects of his career are given. 10 refs., 1 fig

  9. [Electron transfer, ionization and excitation in atomic collisions

    International Nuclear Information System (INIS)

    1991-01-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental atomic-collision processes of electron transfer, ionization, and excitation. Winter has focussed attention on intermediate and, more recently, higher collision energies -- proton energies of at least about 50 keV -- for which coupled-state approaches are appropriate. Alston has concentrated on perturbative approaches to symmetric ion-ion/atom collisions at high energies and to asymmetric collisions at intermediate to high energies

  10. Magnetic electron scattering from deuterium at low-momentum transfer

    International Nuclear Information System (INIS)

    Jones, E.C. Jr.; Bendel, W.L.; Fagg, L.W.; Lindgren, R.A.

    1980-01-01

    The elastic and inelastic cross sections of deuterium for 56.4 MeV electrons scattered at 180 0 , have been measured up to an excitation energy of 19 MeV. The experimental cross sections are compared with those calculated by Miller, by Durand, and by Arenhoevel and Fabian, and also with the sum rules of O'Connell. The results indicate that the contribution of meson exchange currents at this low-momentum transfer is significant

  11. Ultrafast Photoinduced Electron Transfer in Bimolecular Donor-Acceptor Systems

    KAUST Repository

    Alsulami, Qana A.

    2016-11-30

    The efficiency of photoconversion systems, such as organic photovoltaic (OPV) cells, is largely controlled by a series of fundamental photophysical processes occurring at the interface before carrier collection. A profound understanding of ultrafast interfacial charge transfer (CT), charge separation (CS), and charge recombination (CR) is the key determinant to improving the overall performances of photovoltaic devices. The discussion in this dissertation primarily focuses on the relevant parameters that are involved in photon absorption, exciton separation, carrier transport, carrier recombination and carrier collection in organic photovoltaic devices. A combination of steady-state and femtosecond broadband transient spectroscopies was used to investigate the photoinduced charge carrier dynamics in various donor-acceptor systems. Furthermore, this study was extended to investigate some important factors that influence charge transfer in donor-acceptor systems, such as the morphology, energy band alignment, electronic properties and chemical structure. Interestingly, clear correlations among the steady-state measurements, time-resolved spectroscopy results, grain alignment of the electron transporting layer (ETL), carrier mobility, and device performance are found. In this thesis, we explored the significant impacts of ultrafast charge separation and charge recombination at donor/acceptor (D/A) interfaces on the performance of a conjugated polymer PTB7-Th device with three fullerene acceptors: PC71BM, PC61BM and IC60BA. Time-resolved laser spectroscopy and high-resolution electron microscopy can illustrate the basis for fabricating solar cell devices with improved performances. In addition, we studied the effects of the incorporation of heavy metals into π-conjugated chromophores on electron transfer by monitoring the triplet state lifetime of the oligomer using transient absorption spectroscopy, as understanding the mechanisms controlling intersystem crossing and

  12. 2006 Long Range Development Plan Final Environmental ImpactReport

    Energy Technology Data Exchange (ETDEWEB)

    Philliber, Jeff

    2007-01-22

    This environmental impact report (EIR) has been prepared pursuant to the applicable provisions of the California Environmental Quality Act (CEQA) and its implementing guidelines (CEQA Guidelines), and the Amended University of California Procedures for Implementation of the California Environmental Quality Act (UC CEQA Procedures). The University of California (UC or the University) is the lead agency for this EIR, which examines the overall effects of implementation of the proposed 2006 Long Range Development Plan (LRDP; also referred to herein as the 'project' for purposes of CEQA) for Lawrence Berkeley National Laboratory (LBNL; also referred to as 'Berkeley Lab,' 'the Laboratory,' or 'the Lab' in this document). An LRDP is a land use plan that guides overall development of a site. The Lab serves as a special research campus operated by the University employees, but it is owned and financed by the federal government and as such it is distinct from the UC-owned Berkeley Campus. As a campus operated by the University of California, the Laboratory is required to prepare an EIR for an LRDP when one is prepared or updated pursuant to Public Resources Code Section 21080.09. The adoption of an LRDP does not constitute a commitment to, or final decision to implement, any specific project, construction schedule, or funding priority. Rather, the proposed 2006 LRDP describes an entire development program of approximately 980,000 gross square feet of new research and support space construction and 320,000 gross square feet of demolition of existing facilities, for a total of approximately 660,000 gross square feet of net new occupiable space for the site through 2025. Specific projects will undergo CEQA review at the time proposed to determine what, if any, additional review is necessary prior to approval. As described in Section 1.4.2, below, and in Chapter 3 of this EIR (the Project Description), the size of the project has been

  13. Long-range interactions between probes, particles and surfaces

    International Nuclear Information System (INIS)

    Ritchie, R.H.; Manson, J.R.

    1987-01-01

    A brief review is given of some applications of a novel form of self-energy theory. These include the image force experienced by an electron near a metal, the van der Waals interaction between two molecules and the polarization potential of atomic scattering theory

  14. Intercellular wiring enables electron transfer between methanotrophic archaea and bacteria.

    Science.gov (United States)

    Wegener, Gunter; Krukenberg, Viola; Riedel, Dietmar; Tegetmeyer, Halina E; Boetius, Antje

    2015-10-22

    The anaerobic oxidation of methane (AOM) with sulfate controls the emission of the greenhouse gas methane from the ocean floor. In marine sediments, AOM is performed by dual-species consortia of anaerobic methanotrophic archaea (ANME) and sulfate-reducing bacteria (SRB) inhabiting the methane-sulfate transition zone. The biochemical pathways and biological adaptations enabling this globally relevant process are not fully understood. Here we study the syntrophic interaction in thermophilic AOM (TAOM) between ANME-1 archaea and their consortium partner SRB HotSeep-1 (ref. 6) at 60 °C to test the hypothesis of a direct interspecies exchange of electrons. The activity of TAOM consortia was compared to the first ANME-free culture of an AOM partner bacterium that grows using hydrogen as the sole electron donor. The thermophilic ANME-1 do not produce sufficient hydrogen to sustain the observed growth of the HotSeep-1 partner. Enhancing the growth of the HotSeep-1 partner by hydrogen addition represses methane oxidation and the metabolic activity of ANME-1. Further supporting the hypothesis of direct electron transfer between the partners, we observe that under TAOM conditions, both ANME and the HotSeep-1 bacteria overexpress genes for extracellular cytochrome production and form cell-to-cell connections that resemble the nanowire structures responsible for interspecies electron transfer between syntrophic consortia of Geobacter. HotSeep-1 highly expresses genes for pili production only during consortial growth using methane, and the nanowire-like structures are absent in HotSeep-1 cells isolated with hydrogen. These observations suggest that direct electron transfer is a principal mechanism in TAOM, which may also explain the enigmatic functioning and specificity of other methanotrophic ANME-SRB consortia.

  15. Mode solvers for very thin long-range plasmonic waveguides

    Czech Academy of Sciences Publication Activity Database

    Francs, G. C.; Hugonin, J. P.; Čtyroký, Jiří

    2011-01-01

    Roč. 42, č. 8 (2011), s. 557-570 ISSN 0306-8919. [18th International Workshop on Optical Waveguide Theory and Numerical Modelling (OWTNM). Cambridge, 09.04.2010-10.04.2010] R&D Projects: GA MŠk OC09061 Institutional research plan: CEZ:AV0Z20670512 Keywords : optical waveguide theory * integrated optics Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 0.822, year: 2011

  16. Nonadiabatic two-electron transfer mediated by an irregular bridge

    International Nuclear Information System (INIS)

    Petrov, E.G.; Shevchenko, Ye.V.; May, V.

    2004-01-01

    Nonadiabatic two-electron transfer (TET) mediated by a linear molecular bridge is studied theoretically. Special attention is put on the case of a irregular distribution of bridge site energies as well as on the inter-site Coulomb interaction. Based on the unified description of electron transfer reactions [J. Chem. Phys. 115 (2001) 7107] a closed set of kinetic equations describing the TET process is derived. A reduction of this set to a single exponential donor-acceptor (D-A) TET is performed together with a derivation of an overall D-A TET rate. The latter contains a contribution of the stepwise as well as of the concerted route of D-A TET. The stepwise contribution is determined by two single-electron steps each of them associated with a sequential and a superexchange pathway. A two-electron unistep superexchange transition between the D and A forms the concerted contribution to the overall rate. Both contributions are analyzed in their dependency on the bridge length. The irregular distribution of the bridge site energies as well as the influence of the Coulomb interaction facilitates the D-A TET via a modification of the stepwise and the concerted part of the overall rate. At low temperatures and for short bridges with a single or two units the concerted contribution exceeds the stepwise contribution. If the bridge contains more than two units, the stepwise contribution dominates the overall rate

  17. Electron transfer. 88. Cobalt(III)-bound phosphite and hypophosphite

    International Nuclear Information System (INIS)

    Linn, D.E. Jr.; Gould, E.S.

    1987-01-01

    Phosphite and hypophosphite coordinate to cobalt(III) in (NH 3 ) 5 Co/sup III/ through oxygen, rather than through phosphorus. The resulting complexes undergo electron-transfer reactions with Ru(NH 3 ) 6 2+ much more slowly than with Eu 2+ or V 2+ , indicating that the latter two reactants preferentially utilize ligand bridging. Reductions with Cr 2+ are shown to accompanied by transfer of the phosphorus-containing ligands, and reaction of the protonated phosphito (biphosphito) derivative (pK/sub A/ = 3.06 at 23 0 C) proceeds through a combination of acid-independent and inverse-acid paths, both routes yielding the same phosphito-bound Cr(III) product. The hypophosphito, but not the biphosphito, complex reacts with Ce(IV), producing Co 2+ in an induced electron-transfer process. The yield of Co 2+ falls off progressively as [Ce/sup IV/] is increased, pointing to a sequence in which a Co(III)-bound P(II) radical is formed in initial attack by Ce(IV) but subsequently undergoes partition between competing reaction paths, i.e. internal electron transfer to Co(III) vs external oxidation by a second Ce(IV) center. The hypophosphito complex, but not the biphosphito complex, smoothly decomposes in basic media via an internal redox reaction, yielding Co(II) quantitatively, along with a 1:1 mixture of phosphite, and hypophosphite. This transformation, which fails with mixtures of (NH 3 ) 5 Co(H 2 O) 3+ and H 2 PO 2 - appears to be catalyzed specifically by OH - . Deuterium-labeling experiments disclose a solvent isotope effect. Reaction mechanisms are suggested for all the observed results. 54 references, 5 tables

  18. Electron transfer, ionization, and excitation in atomic collisions

    International Nuclear Information System (INIS)

    Winter, T.G.; Alston, S.G.

    1992-01-01

    The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described

  19. Effects of electrostatic interactions on electron transfer reactions

    International Nuclear Information System (INIS)

    Hickel, B.

    1987-01-01

    The fast reactions of electron transfer are studied by pulse radiolysis. This technique allows the creation in about 10 -8 second radicals and radical ions with high redox potentials. For solvated electrons electrostatic interaction on the kinetics of reactions limited by diffusion is described by Debye's equation when ion mobility is known. Deviation from theory can occur in ion pairs formation. This is evidenced experimentally for anions by cation complexation with a cryptate. Relatively slow reactions are more sensitive to electrostatic interactions than limited by diffusion. If ion pairs are not formed kinetics constant depends on dielectric constant of solvent and reaction radius. Experimentally is studied the effect of electrostatic interaction on the rate constants of solvated electrons with anions and cations in water-ethanol mixtures where the dielectric constant change from 80 to 25 at room temperature. 17 refs

  20. Coulomb blockade and transfer of electrons one by one

    International Nuclear Information System (INIS)

    Pothier, Hugues

    1991-01-01

    Zero point fluctuations of the charge on the capacitance of a tunnel junction connected to a bias circuit are in almost all experimental situations larger than the electron charge. As a consequence, the effects of charge granularity are hidden, but in circuits with 'islands', which are electrodes connected to the rest of the circuit only through tunnel junctions and capacitors. The island charge being quantized, its fluctuations are blocked. If the island capacitance is sufficiently small, no electron can enter the island because of the increase of electrostatic energy that would occur. We have observed this effect, called 'Coulomb blockade', in the 'single electron box', where an island is formed between a tunnel junction and a capacitor. A bias voltage source coupled to the island through the capacitor allows to control the number of electrons. We have designed and operated two devices with nano-scale tunnel junctions based on this principle, the 'turnstile' and the 'pump', through which the current is controlled electron by electron. In our experiments, the precision of the transfer is of the order of one percent. It should be a million time better in versions of these devices with more junctions. One could then use them for a new measurement of the fine structure constant alpha. (author) [fr

  1. Direct observation of the ultrafast electron transfer process in a polymer/fullerene blend

    NARCIS (Netherlands)

    Cerullo, G.; Lanzani, G.; Silvestri, S. De; Brabec, Ch.J.; Zerza, G.; Sariciftci, N.S.; Hummelen, J.C.

    2000-01-01

    Photoinduced electron transfer in organic molecules is an extensively investigated topic both because of fundamental interest in the photophysics and for applications to artificial photosynthesis. Highly efficient ultrafast electron transfer from photoexcited conjugated polymers to C60 has been

  2. 77 FR 34127 - Financial Management Service; Proposed Collection of Information: Electronic Transfer Account...

    Science.gov (United States)

    2012-06-08

    ... Information: Electronic Transfer Account (ETA) Financial Agency Agreement AGENCY: Financial Management Service... of information described below: Title: Electronic Transfer Account (ETA) Financial Agency Agreement... public and other Federal agencies to take this opportunity to comment on a continuing information...

  3. Ultrahigh resolution long range surface plasmon-based sensor

    Czech Academy of Sciences Publication Activity Database

    Slavík, Radan; Homola, Jiří

    2007-01-01

    Roč. 123, č. 1 (2007), s. 10-12 ISSN 0925-4005 R&D Projects: GA ČR GP202/04/P141; GA ČR GA203/02/1326; GA ČR(CZ) GA303/03/0249 Grant - others:European Commission(XE) QLK4-CT-2002-02323; US FDA (US) FD-U-002250 Institutional research plan: CEZ:AV0Z20670512 Keywords : surface plasmon resonance * refractive index Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 2.934, year: 2007

  4. Interspecies Electron Transfer during Propionate and Butyrate Degradation in Mesophilic, Granular Sludge

    OpenAIRE

    Schmidt, J. E.; Ahring, B. K.

    1995-01-01

    Granules from a mesophilic upflow anaerobic sludge blanket reactor were disintegrated, and bacteria utilizing only hydrogen or formate or both hydrogen and formate were added to investigate the role of interspecies electron transfer during degradation of propionate and butyrate. The data indicate that the major electron transfer occurred via interspecies hydrogen transfer, while interspecies formate transfer may not be essential for interspecies electron transfer in this system during degrada...

  5. Alternative long-ranged charge optimized many-body potential for aluminium.

    Science.gov (United States)

    Mo, Yunjie; He, Yingyou; Feng, Xiaofang; Jiang, Shaoji

    2017-12-06

    A new COMB3 potential was developed for aluminium, which focuses on long-range interaction and phase transition. The potential was developed by fitting the equilibrium lattice properties of different phases and defects to ensure its transferability to general systems. The quality of the potential was tested in several problems and compared with the EAM potential as well as the published COMB3 potential, the effect of the cutoff method was studied in detail to demonstrate the necessity to extend the cutoff region. Systems of strong deformations along the Bain path, under a trigonal strain and with planar stacking faults were calculated and the present potential performed as well as the EAM potential. At last, a surface process that involves adsorption and diffusion was studied using the present potential.

  6. Possible manifestation of long range forces in high energy hadron collisions

    International Nuclear Information System (INIS)

    Kuraev, Eh.A.; Ferro, P.; Trentadue, L.

    1997-01-01

    Pion-pion and photon-photon scattering are discussed.. We obtain, starting from the impact representation introduced by Cheng and Wu a new contribution to the high energy hadron-hadron scattering amplitude for small transferred momentum q 2 of the form is (q 2 /m 4 )ln(-q 2 /m 2 ). This behaviour may be interpreted as a manifestation of long transverse-range forces between hadrons which, for ρ>> m -1 fall off as ρ -4 . We consider the examples of pion and photon scattering with photons converted in the intermediate state to two pairs of quarks interacting by exchanging two gluon colorless state. A phenomenological approach for proton impact factor is used to analyze proton-proton scattering. The analysis of the lowest order radiative corrections for the case of photon-photon scattering is done. We discuss the possibility of observing the effects of these long range forces

  7. Long-range cargo transport on crowded microtubules: The motor jamming mechanism

    Science.gov (United States)

    Rossi, Lucas W.; Radtke, Paul K.; Goldman, Carla

    2014-05-01

    The hopping model for cargo transport by molecular motors introduced in Goldman and Sena (2009), Goldman (2010) is extended here in order to incorporate the movement of cargo-motor complexes (C-MC). Hopping processes in this context express the possibility for cargo to be exchanged between neighboring motors at a microtubule where the transport takes place. Jamming of motors is essential for cargos to execute long-range movement in this way. Results from computer simulations accompanied by a mean-field analysis of the extended model confirm our previous analytical results and suggests that an interplay between cargo hopping and the movement of the C-MC’s would control the efficiency of cargo transfer and cargo delivery in these model systems.

  8. Models with short- and long-range interactions: the phase diagram and the reentrant phase

    International Nuclear Information System (INIS)

    Dauxois, Thierry; Lori, Leonardo; Ruffo, Stefano; De Buyl, Pierre

    2010-01-01

    We study the phase diagram of two different Hamiltonians with competing local, nearest-neighbour, and mean-field couplings. The first example corresponds to the HMF Hamiltonian with an additional short-range interaction. The second example is a reduced Hamiltonian for dipolar layered spin structures, with a new feature with respect to the first example: the presence of anisotropies. The two examples are solved in both the canonical and the microcanonical ensemble using a combination of the min–max method with the transfer operator method. The phase diagrams present typical features of systems with long-range interactions: ensemble inequivalence, negative specific heat and temperature jumps. Moreover, for a given range of parameters, we report the signature of phase reentrance. This can also be interpreted as the presence of azeotropy with the creation of two first-order phase transitions with ensemble inequivalence, as one parameter is varied continuously

  9. 25 CFR 170.410 - What is the purpose of tribal long-range transportation planning?

    Science.gov (United States)

    2010-04-01

    ... Program Facilities Long-Range Transportation Planning § 170.410 What is the purpose of tribal long-range... 25 Indians 1 2010-04-01 2010-04-01 false What is the purpose of tribal long-range transportation planning? 170.410 Section 170.410 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR LAND AND...

  10. Long-range order in InAsSb

    Science.gov (United States)

    Jen, H. R.; Ma, K. Y.; Stringfellow, G. B.

    1989-03-01

    Results are presented of transmission electron diffraction (TED) observations, demonstrating, for the first time, a CuPt-type ordering in InAs(1-x)Sb(x) alloys, over a wide range of x values (from x = 0.22 to 0.88). The InAsSb alloys were prepared by OMVPE on (001) oriented undoped InSb or InAs substrates. The ordering-induced spots on the TED patterns show the highest intensity for x of about 0.5 and the lowest intensity toward each binary end compound. Only two of the four variants are formed during growth. In some areas, the degree of order for these two variants, 1/2(-1 1 1) and 1/2(1 -1 1), is equal, and in other areas, one variant dominates.

  11. 36 CFR 1235.48 - What documentation must agencies transfer with electronic records?

    Science.gov (United States)

    2010-07-01

    ... documentation for the following types of electronic records: (i) E-mail messages with attachments; (ii) Scanned... agencies transfer with electronic records? 1235.48 Section 1235.48 Parks, Forests, and Public Property... agencies transfer with electronic records? (a) General. Agencies must transfer documentation adequate to...

  12. Triboelectric effect: A new perspective on electron transfer process

    Science.gov (United States)

    Pan, Shuaihang; Zhang, Zhinan

    2017-10-01

    As interest in the triboelectric effect increases in line with the development of tribo-electrification related devices, the mechanisms involved in this phenomenon require more systematic review from the dual perspectives of developed classical insights and emerging quantum understanding. In this paper, the clear energy changing and transferring process of electrons have been proposed from the quantum point of view as the trigger for the charging initiation process in the triboelectric effect, and the phonon modes on the friction surfaces are believed to hold great importance as one of the main driving forces. Compatible with Maxwell Displacement Current theory, the complete consideration for charging steady state, i.e., the competition mechanisms between the breakdown process and the continuously charging process, and the balance mechanisms of phonon-electron interaction, built voltage, and induced polarization, are illustrated. In brief, the proposed theory emphasizes the fundamental role of electron transferring in tribo-electrical fields. By comparing certain experimental results from the previous studies, the theory is justified.

  13. Microbial interspecies electron transfer via electric currents through conductive minerals

    Science.gov (United States)

    Kato, Souichiro; Hashimoto, Kazuhito; Watanabe, Kazuya

    2012-01-01

    In anaerobic biota, reducing equivalents (electrons) are transferred between different species of microbes [interspecies electron transfer (IET)], establishing the basis of cooperative behaviors and community functions. IET mechanisms described so far are based on diffusion of redox chemical species and/or direct contact in cell aggregates. Here, we show another possibility that IET also occurs via electric currents through natural conductive minerals. Our investigation revealed that electrically conductive magnetite nanoparticles facilitated IET from Geobacter sulfurreducens to Thiobacillus denitrificans, accomplishing acetate oxidation coupled to nitrate reduction. This two-species cooperative catabolism also occurred, albeit one order of magnitude slower, in the presence of Fe ions that worked as diffusive redox species. Semiconductive and insulating iron-oxide nanoparticles did not accelerate the cooperative catabolism. Our results suggest that microbes use conductive mineral particles as conduits of electrons, resulting in efficient IET and cooperative catabolism. Furthermore, such natural mineral conduits are considered to provide ecological advantages for users, because their investments in IET can be reduced. Given that conductive minerals are ubiquitously and abundantly present in nature, electric interactions between microbes and conductive minerals may contribute greatly to the coupling of biogeochemical reactions. PMID:22665802

  14. Long-range Coulomb interaction effects on the topological phase transitions between semimetals and insulators

    Science.gov (United States)

    Han, SangEun; Moon, Eun-Gook

    2018-06-01

    Topological states may be protected by a lattice symmetry in a class of topological semimetals. In three spatial dimensions, the Berry flux around gapless excitations in momentum space concretely defines a chirality, so a protecting symmetry may be referred to as a chiral symmetry. Prime examples include a Dirac semimetal (DSM) in a distorted spinel, BiZnSiO4, protected by a mirror symmetry, and a DSM in Na3Bi , protected by a rotational symmetry. In these states, topology and chiral symmetry are intrinsically tied. In this Rapid Communication, the characteristic interplay between a chiral symmetry order parameter and an instantaneous long-range Coulomb interaction is investigated with the standard renormalization group method. We show that a topological transition associated with chiral symmetry is stable under the presence of a Coulomb interaction and the electron velocity always becomes faster than the one of a chiral symmetry order parameter. Thus, the transition must not be relativistic, which implies that supersymmetry is intrinsically forbidden by the long-range Coulomb interaction. Asymptotically exact universal ratios of physical quantities such as the energy gap ratio are obtained, and connections with experiments and recent theoretical proposals are also discussed.

  15. Covalent electron transfer chemistry of graphene with diazonium salts.

    Science.gov (United States)

    Paulus, Geraldine L C; Wang, Qing Hua; Strano, Michael S

    2013-01-15

    Graphene is an atomically thin, two-dimensional allotrope of carbon with exceptionally high carrier mobilities, thermal conductivity, and mechanical strength. From a chemist's perspective, graphene can be regarded as a large polycyclic aromatic molecule and as a surface without a bulk contribution. Consequently, chemistries typically performed on organic molecules and surfaces have been used as starting points for the chemical functionalization of graphene. The motivations for chemical modification of graphene include changing its doping level, opening an electronic band gap, charge storage, chemical and biological sensing, making new composite materials, and the scale-up of solution-processable graphene. In this Account, we focus on graphene functionalization via electron transfer chemistries, in particular via reactions with aryl diazonium salts. Because electron transfer chemistries depend on the Fermi energy of graphene and the density of states of the reagents, the resulting reaction rate depends on the number of graphene layers, edge states, defects, atomic structure, and the electrostatic environment. We limit our Account to focus on pristine graphene over graphene oxide, because free electrons in the latter are already bound to oxygen-containing functionalities and the resulting chemistries are dominated by localized reactivity and defects. We describe the reaction mechanism of diazonium functionalization of graphene and show that the reaction conditions determine the relative degrees of chemisorption and physisorption, which allows for controlled modulation of the electronic properties of graphene. Finally we discuss different applications for graphene modified by this chemistry, including as an additive in polymer matrices, as biosensors when coupled with cells and biomolecules, and as catalysts when combined with nanoparticles.

  16. Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions

    International Nuclear Information System (INIS)

    Hatcher, Elizabeth; Soudackov, Alexander; Hammes-Schiffer, Sharon

    2005-01-01

    The dynamical aspects of a model proton-coupled electron transfer (PCET) reaction in solution are analyzed with molecular dynamics simulations. The rate for nonadiabatic PCET is expressed in terms of a time-dependent probability flux correlation function. The impact of the proton donor-acceptor and solvent dynamics on the probability flux is examined. The dynamical behavior of the probability flux correlation function is dominated by a solvent damping term that depends on the energy gap correlation function. The proton donor-acceptor motion does not impact the dynamical behavior of the probability flux correlation function but does influence the magnitude of the rate. The approximations previously invoked for the calculation of PCET rates are tested. The effects of solvent damping on the proton donor-acceptor vibrational motion are found to be negligible, and the short-time solvent approximation, in which only equilibrium fluctuations of the solvent are considered, is determined to be valid for these types of reactions. The analysis of PCET reactions is compared to previous analyses of single electron and proton transfer reactions. The dynamical behavior is qualitatively similar for all three types of reactions, but the time scale of the decay of the probability flux correlation function is significantly longer for single proton transfer than for PCET and single electron transfer due to a smaller solvent reorganization energy for proton transfer

  17. Observation of electron-transfer-mediated decay in aqueous solution

    Science.gov (United States)

    Unger, Isaak; Seidel, Robert; Thürmer, Stephan; Pohl, Marvin N.; Aziz, Emad F.; Cederbaum, Lorenz S.; Muchová, Eva; Slavíček, Petr; Winter, Bernd; Kryzhevoi, Nikolai V.

    2017-07-01

    Photoionization is at the heart of X-ray photoelectron spectroscopy (XPS), which gives access to important information on a sample's local chemical environment. Local and non-local electronic decay after photoionization—in which the refilling of core holes results in electron emission from either the initially ionized species or a neighbour, respectively—have been well studied. However, electron-transfer-mediated decay (ETMD), which involves the refilling of a core hole by an electron from a neighbouring species, has not yet been observed in condensed phase. Here we report the experimental observation of ETMD in an aqueous LiCl solution by detecting characteristic secondary low-energy electrons using liquid-microjet soft XPS. Experimental results are interpreted using molecular dynamics and high-level ab initio calculations. We show that both solvent molecules and counterions participate in the ETMD processes, and different ion associations have distinctive spectral fingerprints. Furthermore, ETMD spectra are sensitive to coordination numbers, ion-solvent distances and solvent arrangement.

  18. Electron Transfer and Solvent-Mediated Electronic Localization in Molecular Photocatalysis

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Kjær, Kasper Skov; Harlang, Tobias B.

    2016-01-01

    This work provides a detailed mechanism for electron transfer in a heterodinuclear complex designed as a model system in which to study homogeneous molecular photocatalysis. With efficient Born–Oppenheimer molecular dynamics simulations, we show how intermediate, charge-separated states can mediate...

  19. Finite-range-scaling analysis of metastability in an Ising model with long-range interactions

    International Nuclear Information System (INIS)

    Gorman, B.M.; Rikvold, P.A.; Novotny, M.A.

    1994-01-01

    We apply both a scalar field theory and a recently developed transfer-matrix method to study the stationary properties of metastability in a two-state model with weak, long-range interactions: the Nx∞ quasi-one-dimensional Ising model. Using the field theory, we find the analytic continuation f of the free energy across the first-order transition, assuming that the system escapes the metastable state by the nucleation of noninteracting droplets. We find that corrections to the field dependence are substantial, and, by solving the Euler-Lagrange equation for the model numerically, we have verified the form of the free-energy cost of nucleation, including the first correction. In the transfer-matrix method, we associate with the subdominant eigenvectors of the transfer matrix a complex-valued ''constrained'' free-energy density f α computed directly from the matrix. For the eigenvector with an associated magnetization most strongly opposed to the applied magnetic field, f α exhibits finite-range scaling behavior in agreement with f over a wide range of temperatures and fields, extending nearly to the classical spinodal. Some implications of these results for numerical studies of metastability are discussed

  20. Light induced electron transfer reactions of metal complexes

    International Nuclear Information System (INIS)

    Sutin, N.; Creutz, C.

    1980-01-01

    Properties of the excited states of tris(2,2'-bipyridine) and tris(1,10-phenanthroline) complexes of chromium(III), iron(II), ruthenium(II), osmium(II), rhodium(III), and iridium(III) are described. The electron transfer reactions of the ground and excited states are discussed and interpreted in terms of the driving force for the reaction and the distortions of the excited states relative to the corresponding ground states. General considerations relevant to the conversion of light into chemical energy are presented and progress in the use of polypyridine complexes to effect the light decomposition of water into hydrogen and oxygen is reviewed

  1. Towards model-based testing of electronic funds transfer systems

    OpenAIRE

    Asaadi, H.R.; Khosravi, R.; Mousavi, M.R.; Noroozi, N.

    2010-01-01

    We report on our first experience with applying model-based testing techniques to an operational Electronic Funds Transfer (EFT) switch. The goal is to test the conformance of the EFT switch to the standard flows described by the ISO 8583 standard. To this end, we first make a formalization of the transaction flows specified in the ISO 8583 standard in terms of a Labeled Transition System (LTS). This formalization paves the way for model-based testing based on the formal notion of Input-Outpu...

  2. Exciplex formation and electron transfer in polychromophoric systems

    International Nuclear Information System (INIS)

    Yang, N.C.C.; Minsek, D.W.; Johnson, D.G.; Wasielewski, M.R.

    1989-01-01

    This paper discusses the rates of excited anthracene decay and intramolecular exciplex formation from biochromophoric molecules containing an anthryl group and an amine donor which vary with the length of the chain link, the nature of the amine donor and the viscosity of the medium. According to the authors, the results indicate that the intramolecular exciplex formation may proceed via more than one pathway. Experimental results suggest that electron transfer from the amino donor to the excited anthryl group may play a role in the exciplex formation in viscous alkanes

  3. Large momentum transfer electron scattering from few-nucleon systems

    International Nuclear Information System (INIS)

    Arnold, R.G.

    1979-08-01

    A review is given of the experimental results from a series of measurements at SLAC of large momentum transfer (Q 2 > 20 fm -2 ) electron scattering at forward angles from nuclei with A less than or equal to 4. Theoretical interpretations of these data in terms of traditional nuclear physics models and in terms of quark constituent models are described. Some physics questions for future experiments are explored, and a preview of possible future measurements of magnetic structure functions of light nuclei at large Q 2 is given

  4. Geometric phase and quantum interference in photosynthetic reaction center: Regulation of electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Yuming, E-mail: ymsun@ytu.edu.cn; Su, Yuehua; Dai, Zhenhong; Wang, WeiTian

    2016-10-20

    Photosynthesis is driven by electron transfer in reaction centers in which the functional unit is composed of several simple molecules C{sub 2}-symmetrically arranged into two branches. In view of quantum mechanism, both branches are possible pathways traversed by the transferred electron. Due to different evolution of spin state along two pathways in transmembrane electric potential (TEP), quantum state of the transferred electron at the bridged site acquires a geometric phase difference dependent on TEP, the most efficient electron transport takes place in a specific range of TEP beyond which electron transfer is dramatically suppressed. What’s more, reaction center acts like elaborately designed quantum device preparing polarized spin dependent on TEP for the transferred electron to regulate the reduction potential at bridged site. In brief, electron transfer generates the TEP, reversely, TEP modulates the efficiency of electron transfer. This may be an important approach to maintaining an appreciable pH environment in photosynthesis.

  5. Long-Range Emergency Preemption of Traffic Lights

    Science.gov (United States)

    Bachelder, Aaron

    2005-01-01

    A forwarding system could prove beneficial as an addition to an electronic communication-and-control system that automatically modifies the switching of traffic lights to give priority to emergency vehicles. A system to which the forwarding system could be added could be any of a variety of emergency traffic-signal-preemption systems: these include systems now used in some municipalities as well as advanced developmental systems described in several NASA Tech Briefs articles in recent years. Because of a variety of physical and design limitations, emergency traffic-signal- preemption systems now in use are often limited in range to only one intersection at a time: in a typical system, only the next, closest intersection is preempted for an emergency vehicle. Simulations of gridlock have shown that such systems offer minimal advantages and can even cause additional delays. In analogy to what happens in fluid dynamics, the forwarding system insures that flow at a given location is sustained by guaranteeing downstream flow along the predicted route (typically a main artery) and intersecting routes (typically, side streets). In simplest terms, the forwarding system starts by taking note of any preemption issued by the preemption system to which it has been added. The forwarding system predicts which other intersections could be encountered by the emergency vehicle downstream of the newly preempted intersection. The system then forwards preemption triggers to those intersections. Beyond affording a right of way for the emergency vehicle at every intersection that lies ahead along any likely route from the current position of the vehicle, the forwarding system also affords the benefit of clearing congested roads far ahead of the vehicle. In a metropolitan environment with heavy road traffic, forwarding of preemption triggers could greatly enhance the performance of a pre-existing preemption system.

  6. Effect of electrostatic interactions on electron-transfer reactions

    International Nuclear Information System (INIS)

    Hickel, B.

    1987-01-01

    Fast reactions of electron transfer are studied by pulsed radiolysis. By this technique radicals and ionic radicals with high redox potentials are created homogeneously in the solution in about 10 -8 second. For solvated electron effect of electrostatic interaction on kinetics of reactions limited by diffusion is obtained with a good approximation by the Debye equation when ion mobility is known. Deviation from the theory occurs in ion pair formation, which is evidenced experimentally in reactions between anions when cations are complexed by a cryptate. Slow reactions k 8 M -1 s -1 are more sensitive to electrostatic interactions than reactions limited by diffusion. When there is no ion pair formation the velocity constant depends upon dielectric constant of the solvent and reaction distance. 17 refs

  7. Charge amplification and transfer processes in the gas electron multiplier

    International Nuclear Information System (INIS)

    Bachmann, S.; Bressan, A.; Ropelewski, L.; Sauli, F.; Sharma, A.; Moermann, D.

    1999-01-01

    We report the results of systematic investigations on the operating properties of detectors based on the gas electron multiplier (GEM). The dependence of gain and charge collection efficiency on the external fields has been studied in a range of values for the hole diameter and pitch. The collection efficiency of ionization electrons into the multiplier, after an initial increase, reaches a plateau extending to higher values of drift field the larger the GEM voltage and its optical transparency. The effective gain, fraction of electrons collected by an electrode following the multiplier, increases almost linearly with the collection field, until entering a steeper parallel plate multiplication regime. The maximum effective gain attainable increases with the reduction in the hole diameter, stabilizing to a constant value at a diameter approximately corresponding to the foil thickness. Charge transfer properties appear to depend only on ratios of fields outside and within the channels, with no interaction between the external fields. With proper design, GEM detectors can be optimized to satisfy a wide range of experimental requirements: tracking of minimum ionizing particles, good electron collection with small distortions in high magnetic fields, improved multi-track resolution and strong ion feedback suppression in large volume and time-projection chambers

  8. The rf sigmameter: A digital phase-locked technique for accurate long-range laser scanning

    International Nuclear Information System (INIS)

    Zhu, M.; Hall, J.L.

    1986-01-01

    The authors use a new version of a sigmameter, the two-channel field-widened rf sigmameter, to map optical frequency into the phase of an rf signal. This enables them to lock the laser frequency on the interferometer by using a phase-locked loop (PLL). Controlling the reference phase of the PLL electronically, they are able to scan the laser frequency over a long range step by step or with substeps. The systematic error of each substep is cancelled automatically when the authors change one step (which is ten substeps, for example), and that of each step is cancelled when they change the reference phase by 2π (which corresponds to 256 steps in their scheme)

  9. Nonlinear Dynamics of Ultrashort Long-Range Surface Plasmon Polariton Pulses in Gold Strip Waveguides

    DEFF Research Database (Denmark)

    Lysenko, Oleg; Bache, Morten; Olivier, Nicolas

    2016-01-01

    We study experimentally and theoretically nonlinear propagation of ultrashort long-range surface plasmon polaritons in gold strip waveguides. The nonlinear absorption of the plasmonic modes in the waveguides is measured with femtosecond pulses revealing a strong dependence of the third......-order nonlinear susceptibility of the gold core on the pulse duration and layer thickness. A comprehensive model for the pulse duration dependence of the third-order nonlinear susceptibility is developed on the basis of the nonlinear Schrödinger equation for plasmonic mode propagation in the waveguides....... The model accounts for the intrinsic delayed (noninstantaneous) nonlinearity of free electrons of gold as well as the thickness of the gold film and is experimentally verified. The obtained results are important for the development of active plasmonic and nanophotonic components....

  10. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

    Science.gov (United States)

    Tiwari, Vivek; Peters, William K.; Jonas, David M.

    2017-10-01

    Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

  11. Stepping Stone Mechanism: Carrier-Free Long-Range Magnetism Mediated by Magnetized Cation States in Quintuple Layer

    Science.gov (United States)

    Chan, Chunkai; Zhang, Xiaodong; Zhang, Yiou; Tse, Kinfai; Deng, Bei; Zhang, Jingzhao; Zhu, Junyi

    2018-01-01

    The long-range magnetism observed in group-V tellurides quintuple layers is the only working example of carrier-free dilute magnetic semiconductors (DMS), whereas the physical mechanism is unclear, except the speculation on the band topology enhanced van Vleck paramagnetism. Based on DFT calculations, we find a stable long-range ferromagnetic order in a single quintuple layer of Cr-doped Bi2Te3 or Sb2Te3, with the dopant separation more than 9 Å. This configuration is the global energy minimum among all configurations. Different from the conventional super exchange theory, the magnetism is facilitated by the lone pair derived anti-bonding states near the cations. Such anti-bonding states work as stepping stones merged in the electron sea and conduct magnetism. Further, spin orbit coupling induced band inversion is found to be insignificant in the magnetism. Therefore, our findings directly dismiss the common misbelief that band topology is the only factor that enhances the magnetism. We further demonstrate that removal of the lone pair derived states destroys the long-range magnetism. This novel mechanism sheds light on the fundamental understanding of long-range magnetism and may lead to discoveries of new classes of DMS. Supported by Chinese University of Hong Kong (CUHK) under Grant No 4053084, University Grants Committee of Hong Kong under Grant No 24300814, and the Start-up Funding of CUHK.

  12. Exogenous electron shuttle-mediated extracellular electron transfer of Shewanella putrefaciens 200: electrochemical parameters and thermodynamics.

    Science.gov (United States)

    Wu, Yundang; Liu, Tongxu; Li, Xiaomin; Li, Fangbai

    2014-08-19

    Despite the importance of exogenous electron shuttles (ESs) in extracellular electron transfer (EET), a lack of understanding of the key properties of ESs is a concern given their different influences on EET processes. Here, the ES-mediated EET capacity of Shewanella putrefaciens 200 (SP200) was evaluated by examining the electricity generated in a microbial fuel cell. The results indicated that all the ESs substantially accelerated the current generation compared to only SP200. The current and polarization parameters were linearly correlated with both the standard redox potential (E(ES)(0)) and the electron accepting capacity (EAC) of the ESs. A thermodynamic analysis of the electron transfer from the electron donor to the electrode suggested that the EET from c-type cytochromes (c-Cyts) to ESs is a crucial step causing the differences in EET capacities among various ESs. Based on the derived equations, both E(ES)(0) and EAC can quantitatively determine potential losses (ΔE) that reflect the potential loss of the ES-mediated EET. In situ spectral kinetic analysis of ES reduction by c-Cyts in a living SP200 suspension was first investigated with the E(ES), E(c-Cyt), and ΔE values being calculated. This study can provide a comprehensive understanding of the role of ESs in EET.

  13. Electronic shift register memory based on molecular electron-transfer reactions

    Science.gov (United States)

    Hopfield, J. J.; Onuchic, Jose Nelson; Beratan, David N.

    1989-01-01

    The design of a shift register memory at the molecular level is described in detail. The memory elements are based on a chain of electron-transfer molecules incorporated on a very large scale integrated (VLSI) substrate, and the information is shifted by photoinduced electron-transfer reactions. The design requirements for such a system are discussed, and several realistic strategies for synthesizing these systems are presented. The immediate advantage of such a hybrid molecular/VLSI device would arise from the possible information storage density. The prospect of considerable savings of energy per bit processed also exists. This molecular shift register memory element design solves the conceptual problems associated with integrating molecular size components with larger (micron) size features on a chip.

  14. Layered Black Phosphorus: Strongly Anisotropic Magnetic, Electronic, and Electron-Transfer Properties.

    Science.gov (United States)

    Sofer, Zdeněk; Sedmidubský, David; Huber, Štěpán; Luxa, Jan; Bouša, Daniel; Boothroyd, Chris; Pumera, Martin

    2016-03-01

    Layered elemental materials, such as black phosphorus, exhibit unique properties originating from their highly anisotropic layered structure. The results presented herein demonstrate an anomalous anisotropy for the electrical, magnetic, and electrochemical properties of black phosphorus. It is shown that heterogeneous electron transfer from black phosphorus to outer- and inner-sphere molecular probes is highly anisotropic. The electron-transfer rates differ at the basal and edge planes. These unusual properties were interpreted by means of calculations, manifesting the metallic character of the edge planes as compared to the semiconducting properties of the basal plane. This indicates that black phosphorus belongs to a group of materials known as topological insulators. Consequently, these effects render the magnetic properties highly anisotropic, as both diamagnetic and paramagnetic behavior can be observed depending on the orientation in the magnetic field. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Electron transfer flavoprotein deficiency: Functional and molecular aspects

    DEFF Research Database (Denmark)

    Schiff, M; Froissart, R; Olsen, Rikke Katrine Jentoft

    2006-01-01

    Multiple acyl-CoA dehydrogenase deficiency (MADD) is a recessively inherited metabolic disorder that can be due to a deficiency of electron transfer flavoprotein (ETF) or its dehydrogenase (ETF-ubiquinone oxidoreductase). ETF is a mitochondrial matrix protein consisting of alpha- (30kDa) and beta......- (28kDa) subunits encoded by the ETFA and ETFB genes, respectively. In the present study, we have analysed tissue samples from 16 unrelated patients with ETF deficiency, and we report the results of ETF activity, Western blot analysis and mutation analysis. The ETF assay provides a reliable diagnostic...... tool to confirm ETF deficiency in patients suspected to suffer from MADD. Activity ranged from less than 1 to 16% of controls with the most severely affected patients disclosing the lowest activity values. The majority of patients had mutations in the ETFA gene while only two of them harboured...

  16. Facile direct electron transfer in glucose oxidase modified electrodes

    International Nuclear Information System (INIS)

    Wang Dan; Chen Liwei

    2009-01-01

    Glucose oxidase (GOx) is widely used in the glucose biosensor industry. However, mediatorless direct electron transfer (DET) from GOx to electrode surfaces is very slow. Recently, mediatorless DET has been reported via the incorporation of nanomaterials such as carbon nanotubes and nanoparticles in the modification of electrodes. Here we report GOx electrodes showing DET without the need for any nanomaterials. The enzyme after immobilization with poly-L-lysine (PLL) and Nafion retains the biocatalytic activities and oxidizes glucose efficiently. The amperometric response of Nafion-PLL-GOx modified electrode is linearly proportional to the concentration of glucose up to 10 mM with a sensitivity of 0.75 μA/mM at a low detection potential (-0.460 V vs. Ag/AgCl). The methodology developed in this study will have impact on glucose biosensors and biofuel cells and may potentially simplify enzyme immobilization in other biosensing systems.

  17. Radiolytic and electron-transfer reactions in supercritical CO2

    International Nuclear Information System (INIS)

    Bartels, D. M.; Dimitrijevic, N. M.; Jonah, C. D.; Takahashi, K.

    2000-01-01

    Using supercritical fluids as solvents is useful for both practical and theoretical reasons. It has been proposed to use supercritical CO 2 as a solvent for synthesis because it eliminates the air pollution arising from other solvents. The properties of supercritical fluids can be easily varied with only modest changes in temperature and density, so they provide a way of testing theories of chemical reactions. It has also been proposed to use supercritical fluids for the treatment of hazardous mixed waste. For these reasons the authors have studied the production of radiolytic species in supercritical CO 2 and have measured their reactivity as a function of density. They have shown that the C 2 O 4 + is formed. They also have shown that the electron transfer reactions of dimethylaniline to C 2 O 4 + and CO 2 (e - ) to benzoquinone are diffusion controlled over a considerable density range

  18. Bond charges and electronic charge transfer in ternary semiconductors

    International Nuclear Information System (INIS)

    Pietsch, U.

    1986-01-01

    By means of a simple molecule-theoretic model of 'linear superposition of two-electron molecules' the bond charges between nearest neighbours and the effective charges of ions are calculated for ternary zinc-blende structure alloys as well as chalcopyrite semiconductors. Taking into account both, the charge transfer among the ions caused by the differences of electronegativities of atoms used and between the bonds created by the internal stress of the lattice a nearly unvaried averaged bond charge amount of the alloy is found, but rather dramatically changed local bond charge parameters in comparison with the respective values of binary compounds used. This fact should influence the noncentral force interaction in such semiconductors. (author)

  19. Long-range beam-beam experiments in the relativistic heavy ion collider

    International Nuclear Information System (INIS)

    Calaga, R; Fischer, W; Milas, N; Robert-Demolaize, G

    2014-01-01

    Long-range beam-beam effects are a potential limit to the LHC performance with the nominal design parameters, and certain upgrade scenarios under discussion. To mitigate long-range effects, current carrying wires parallel to the beam were proposed and space is reserved in the LHC for such wires. Two current carrying wires were installed in RHIC to study the effect of strong long-range beam-beam effects in a collider, as well as test the compensation of a single long-range interaction. The experimental data were used to benchmark simulations. We summarize this work

  20. Processor for Real-Time Atmospheric Compensation in Long-Range Imaging, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Long-range imaging is a critical component to many NASA applications including range surveillance, launch tracking, and astronomical observation. However,...

  1. Long-range terrain characterization for productive regolith excavation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed research will develop long-range terrain characterization technologies for autonomous excavation in planetary environments. This work will develop a...

  2. Electron transfer reactions to probe the electrode/solution interface

    Energy Technology Data Exchange (ETDEWEB)

    Capitanio, F.; Guerrini, E.; Colombo, A.; Trasatti, S. [Milan Univ., Milan (Italy). Dept. of Physical Chemistry and Electrochemistry

    2008-07-01

    The reactions that occur at the interface between an electrode and an electrolyte were examined with particular reference to the interaction of different electrode surfaces with redox couples. A semi-integration or convolution technique was used to study the kinetics of electron transfer on different electrode materials with different hydrophilic behaviour, such as Boron-Doped-Diamond (BDD), Au and Pt. Standard reversible redox couples were also investigated, including (Fe3+/2+, Fe(CN)63-/4-, Ru(NH3)63+/2+, Co(NH3)63+/2+, Ir4+/3+, V4+/5+ and V3+/2+). The proposed method proved to be simple, straightforward and reliable since the obtained kinetic information was in good agreement with data in the literature. It was concluded that the kinetics of the electrode transfer reactions depend on the chemical nature of the redox couple and electrode material. The method should be further extended to irreversible couples and other electrode materials such as mixed oxide electrodes. 3 refs., 2 figs.

  3. A note on the standard electron transfer potential at the interface between two immiscible electrolyte solutions

    Czech Academy of Sciences Publication Activity Database

    Samec, Zdeněk

    2009-01-01

    Roč. 55, č. 2 (2009), s. 75-81 ISSN 0034-6691 R&D Projects: GA ČR(CZ) GA203/07/1257 Institutional research plan: CEZ:AV0Z40400503 Keywords : interface between two immiscible electrolyte solutions * interfacial electron transfer * standard electron trasfer potential * homogeneous electron transfer Subject RIV: CG - Electrochemistry

  4. Lowest excited states and optical absorption spectra of donor–acceptor copolymers for organic photovoltaics: a new picture emerging from tuned long-range corrected density functionals

    KAUST Repository

    Pandey, Laxman; Doiron, Curtis; Sears, John S.; Bré das, Jean-Luc

    2012-01-01

    Polymers with low optical gaps are of importance to the organic photovoltaics community due to their potential for harnessing a large portion of the solar energy spectrum. The combination along their backbones of electron-rich and electron-deficient fragments contributes to the presence of low-lying excited states that are expected to display significant charge-transfer character. While conventional hybrid functionals are known to provide unsatisfactory results for charge-transfer excitations at the time-dependent DFT level, long-range corrected (LRC) functionals have been reported to give improved descriptions in a number of systems. Here, we use such LRC functionals, considering both tuned and default range-separation parameters, to characterize the absorption spectra of low-optical-gap systems of interest. Our results indicate that tuned LRC functionals lead to simulated optical-absorption properties in good agreement with experimental data. Importantly, the lowest-lying excited states (excitons) are shown to present a much more localized nature than initially anticipated. © 2012 the Owner Societies.

  5. Ab initio study on electron excitation and electron transfer in tryptophan-tyrosine system

    International Nuclear Information System (INIS)

    Tong Jing; Li Xiangyuan

    2002-01-01

    In this article, ab initio calculation has been performed to evaluate the transition energy of electronic excitation in tryptophan and tyrosine by using semiempirical molecular orbital method AM1 and complete active space self-consistent field method. The solvent effect has been considered by means of the conductor-like screening model. After geometric optimizations of isolated tryptophan and tyrosine, and their corresponding radicals and cations, reaction heat of these electron transfer reactions have been obtained by the means of complete active space self-consistent field method. The transition energies from the ground state, respectively, to the lowest excited state and to the lowest triplet state of these two amino acids are also calculated and compared with the experimentally observed values. The ionization potential and electron affinity are also calculated for tryptophan and tyrosine employing Koopmans' theorem and ab initio calculation. Compared with the experimental measurements, the theoretical results are found satisfactory. Theoretical results give good explanations on the experimental phenomena that N 3 · can preferably oxide the side chain of tryptophan residue and then the electron transfer from tyrosine residue to tryptophan residue follows in peptides involving tryptophan and tyrosine

  6. Transfer of spectral weight in spectroscopies of correlated electron systems

    International Nuclear Information System (INIS)

    Rozenberg, M.J.; Kotliar, G.; Kajueter, H.

    1996-01-01

    We study the transfer of spectral weight in the photoemission and optical spectra of strongly correlated electron systems. Within the local impurity self-consistent approximation, that becomes exact in the limit of large lattice coordination, we consider and compare two models of correlated electrons, the Hubbard model and the periodic Anderson model. The results are discussed in regard to recent experiments. In the Hubbard model, we predict an anomalous enhancement optical spectral weight as a function of temperature in the correlated metallic state which is in qualitative agreement with optical measurements in V 2 O 3 . We argue that anomalies observed in the spectroscopy of the metal are connected to the proximity to a crossover region in the phase diagram of the model. In the insulating phase, we obtain excellent agreement with the experimental data, and present a detailed discussion on the role of magnetic frustration by studying the k-resolved single-particle spectra. The results for the periodic Anderson model are discussed in connection to recent experimental data of the Kondo insulators Ce 3 Bi 4 Pt 3 and FeSi. The model can successfully explain the thermal filling of the optical gap and the corresponding changes in the photoemission density of states. The temperature dependence of the optical sum rule is obtained, and its relevance to the interpretation of the experimental data discussed. Finally, we argue that the large scattering rate measured in Kondo insulators cannot be described by the periodic Anderson model. copyright 1996 The American Physical Society

  7. Correlation properties of surface and percolation transfer of electrons

    International Nuclear Information System (INIS)

    Bakunin, O.G.

    2002-01-01

    In this work was received equation, connecting correlatively properties of surface with electrons distribution function. Usually for equilibrium is necessary a large number of collisions. Collisions are 'destroying' correlations. In case rare collisions large importance have correlations and 'memory' effects. Non-Markov's character of emitting particles by surface lead to strongly nonequilibrium condition of 'gas'. Here kinetic equation of diffusive form does not apply. Classical kinetic equation are described only conditions near to equilibrium. This work offers to use ideas anomal diffusion in phase-space. The correlation properties of surface describe by correlations of velocities of emitting electrons: B(t). We offer to use functional equation for probability collision instead of kinetic equation: ∫ 0 ν 0 W noncoll F(ν) dv = 1 - B(t). This functional allow to consider 'memory' effects. It is important for consideration of electrons and clusters near surfaces. Distribution function become direct connected with correlations. In classical Kubo-Mory theory of transfer is necessary to get nondivergences integral: D ∝ ∫ 0 ∞ B(t). In considering case we can use even 'power function'. It was used 'slow' correlation function as Kohlraush in calculations. The information about kinetics and correlations properties are containing in one functional equation. It was received solution of this equation in form Levy function: F(ν) ∝ 1/ν α exp(-1/ν). The solution of this form can not be get with help asymptotic methods of kinetic theory. Asymptotics of solution have scale-invariant character F(V) ∝ 1/V α . This indicate on fractal properties phase-space. (author)

  8. Allosteric control of internal electron transfer in cytochrome cd1 nitrite reductase

    DEFF Research Database (Denmark)

    Farver, Ole; Kroneck, Peter M H; Zumft, Walter G

    2003-01-01

    Cytochrome cd1 nitrite reductase is a bifunctional multiheme enzyme catalyzing the one-electron reduction of nitrite to nitric oxide and the four-electron reduction of dioxygen to water. Kinetics and thermodynamics of the internal electron transfer process in the Pseudomonas stutzeri enzyme have...... been studied and found to be dominated by pronounced interactions between the c and the d1 hemes. The interactions are expressed both in dramatic changes in the internal electron-transfer rates between these sites and in marked cooperativity in their electron affinity. The results constitute a prime...... example of intraprotein control of the electron-transfer rates by allosteric interactions....

  9. Probing odd-triplet contributions to the long-ranged proximity effect by scanning tunneling spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Diesch, Simon; Machon, Peter; Belzig, Wolfgang; Scheer, Elke [Universitaet Konstanz, Konstanz (Germany); Suergers, Christoph; Beckmann, Detlef [Karlsruhe Institute of Technology, Karlsruhe (Germany)

    2015-07-01

    In conventional superconductors, electrons are bound in singlet Cooper pairs, i.e. with opposite spin. More recently, experiments on superconductor-ferromagnet-systems have shown Cooper pairs tunneling through ferromagnetic layers, indicating Cooper pairs of equal spin, thus corresponding to a long-range triplet proximity effect. Most experimental evidence for triplet superconductivity comes from observations of the thickness dependence of the Josephson current through a ferromagnetic barrier, but there is an increasing interest in obtaining direct spectroscopic evidence. This project aims at analyzing the electronic density of states of a thin diffusive normal metal layer (Ag) coupled to a superconductor (Al) across a ferromagnetic insulator (EuS) using a scanning tunneling microscope in spectroscopy mode at 280 mK. For this purpose, we fabricated EuS films of different thicknesses and acquired spectroscopic data at different magnetic fields. We observe significant broadening of the superconductive energy gap and a variety of sub-gap structures including zero-bias conductance peaks induced by the presence of the ferromagnet.

  10. Progress with Long-Range Beam-Beam Compensation Studies for High Luminosity LHC

    Energy Technology Data Exchange (ETDEWEB)

    Rossi, Adriana; et al.

    2017-05-01

    Long-range beam-beam (LRBB) interactions can be a source of emittance growth and beam losses in the LHC during physics and will become even more relevant with the smaller '* and higher bunch intensities foreseen for the High Luminosity LHC upgrade (HL-LHC), in particular if operated without crab cavities. Both beam losses and emittance growth could be mitigated by compensat-ing the non-linear LRBB kick with a correctly placed current carrying wire. Such a compensation scheme is currently being studied in the LHC through a demonstration test using current-bearing wires embedded into col-limator jaws, installed either side of the high luminosity interaction regions. For HL-LHC two options are considered, a current-bearing wire as for the demonstrator, or electron lenses, as the ideal distance between the particle beam and compensating current may be too small to allow the use of solid materials. This paper reports on the ongoing activities for both options, covering the progress of the wire-in-jaw collimators, the foreseen LRBB experiments at the LHC, and first considerations for the design of the electron lenses to ultimately replace material wires for HL-LHC.

  11. Long-range charge transport in single G-quadruplex DNA molecules

    DEFF Research Database (Denmark)

    Livshits, Gideon I.; Stern, Avigail; Rotem, Dvir

    2014-01-01

    DNA and DNA-based polymers are of interest in molecular electronics because of their versatile and programmable structures. However, transport measurements have produced a range of seemingly contradictory results due to differences in the measured molecules and experimental set-ups, and transport......DNA and DNA-based polymers are of interest in molecular electronics because of their versatile and programmable structures. However, transport measurements have produced a range of seemingly contradictory results due to differences in the measured molecules and experimental set......-ups, and transporting significant current through individual DNA-based molecules remains a considerable challenge. Here, we report reproducible charge transport in guanine-quadruplex (G4) DNA molecules adsorbed on a mica substrate. Currents ranging from tens of picoamperes to more than 100 pA were measured in the G4......-DNA over distances ranging from tens of nanometres to more than 100 nm. Our experimental results, combined with theoretical modelling, suggest that transport occurs via a thermally activated long-range hopping between multi-tetrad segments of DNA. These results could re-ignite interest in DNA...

  12. 77 FR 6310 - Electronic Fund Transfers (Regulation E)

    Science.gov (United States)

    2012-02-07

    ... business'' in the definition of ``remittance transfer provider.'' This definition determines whether a... remittance transfers in the ``normal course of its business'' from the definition of ``remittance transfer... ``normal course of business'' for purposes of the definition of ``remittance transfer provider.'' Second...

  13. Long range order in the ground state of two-dimensional antiferromagnets

    International Nuclear Information System (INIS)

    Neves, E.J.; Perez, J.F.

    1985-01-01

    The existence of long range order is shown in the ground state of the two-dimensional isotropic Heisenberg antiferromagnet for S >= 3/2. The method yields also long range order for the ground state of a larger class of anisotropic quantum antiferromagnetic spin systems with or without transverse magnetic fields. (Author) [pt

  14. The third stage of hospital long-range planning: the marketing approach.

    Science.gov (United States)

    Rynne, T J

    1980-01-01

    Today most hospital administrators are convinced they should implement long-range planning. The marketing approach to long-range planning is an effective strategy that is consumer oriented. It starts the planning process with the consumer, letting the consumer's needs and wants guide the organization's planning.

  15. Control of Electron Transfer from Lead-Salt Nanocrystals to TiO 2

    KAUST Repository

    Hyun, Byung-Ryool

    2011-05-11

    The roles of solvent reorganization energy and electronic coupling strength on the transfer of photoexcited electrons from PbS nanocrystals to TiO 2 nanoparticles are investigated. We find that the electron transfer depends only weakly on the solvent, in contrast to the strong dependence in the nanocrystal-molecule system. This is ascribed to the larger size of the acceptor in this system, and is accounted for by Marcus theory. The electronic coupling of the PbS and TiO 2 is varied by changing the length, aliphatic and aromatic structure, and anchor groups of the linker molecules. Shorter linker molecules consistently lead to faster electron transfer. Surprisingly, linker molecules of the same length but distinct chemical structures yield similar electron transfer rates. In contrast, the electron transfer rate can vary dramatically with different anchor groups. © 2011 American Chemical Society.

  16. Numerical simulation of base flow of a long range flight vehicle

    Science.gov (United States)

    Saha, S.; Rathod, S.; Chandra Murty, M. S. R.; Sinha, P. K.; Chakraborty, Debasis

    2012-05-01

    Numerical exploration of base flow of a long range flight vehicle is presented for different flight conditions. Three dimensional Navier-Stokes equations are solved along with k-ɛ turbulence model using commercial CFD software. Simulation captured all essential flow features including flow separation at base shoulder, shear layer formation at the jet boundary, recirculation at the base region etc. With the increase in altitude, the plume of the rocket exhaust is seen to bulge more and more and caused more intense free stream and rocket plume interaction leading to higher gas temperature in the base cavity. The flow field in the base cavity is investigated in more detail, which is found to be fairly uniform at different instant of time. Presence of the heat shield is seen to reduce the hot gas entry to the cavity region due to different recirculation pattern in the base region. Computed temperature history obtained from conjugate heat transfer analysis is found to compare very well with flight measured data.

  17. Long range surface plasmons on asymmetric suspended thin film structures for biosensing applications.

    Science.gov (United States)

    Min, Qiao; Chen, Chengkun; Berini, Pierre; Gordon, Reuven

    2010-08-30

    We show that long-range surface plasmons (LRSPs) are supported in a physically asymmetric thin film structure, consisting of a low refractive index medium on a metal slab, supported by a high refractive index dielectric layer (membrane) over air, as a suspended waveguide. For design purposes, an analytic formulation is derived in 1D yielding a transcendental equation that ensures symmetry of the transverse fields of the LRSP within the metal slab by constraining its thicknesses and that of the membrane. Results from the formulation are in quantitative agreement with transfer matrix calculations for a candidate slab waveguide consisting of an H(2)O-Au-SiO(2)-air structure. Biosensor-relevant figures of merit are compared for the asymmetric and symmetric structures, and it is found that the asymmetric structure actually improves performance, despite higher losses. The finite difference method is also used to analyse metal stripes providing 2D confinement on the structure, and additional constraints for non-radiative LRSP guiding thereon are discussed. These results are promising for sensors that operate with an aqueous solution that would otherwise require a low refractive index-matched substrate for the LRSP.

  18. Surface Plasmon Polariton-Assisted Long-Range Exciton Transport in Monolayer Semiconductor Lateral Heterostructure

    Science.gov (United States)

    Shi, Jinwei; Lin, Meng-Hsien; Chen, Yi-Tong; Estakhri, Nasim Mohammadi; Tseng, Guo-Wei; Wang, Yanrong; Chen, Hung-Ying; Chen, Chun-An; Shih, Chih-Kang; Alã¹, Andrea; Li, Xiaoqin; Lee, Yi-Hsien; Gwo, Shangjr

    Recently, two-dimensional (2D) semiconductor heterostructures, i.e., atomically thin lateral heterostructures (LHSs) based on transition metal dichalcogenides (TMDs) have been demonstrated. In an optically excited LHS, exciton transport is typically limited to a rather short spatial range ( 1 micron). Furthermore, additional losses may occur at the lateral interfacial regions. Here, to overcome these challenges, we experimentally implement a planar metal-oxide-semiconductor (MOS) structure by placing a monolayer of WS2/MoS2 LHS on top of an Al2O3 capped Ag single-crystalline plate. We found that the exciton transport range can be extended to tens of microns. The process of long-range exciton transport in the MOS structure is confirmed to be mediated by an exciton-surface plasmon polariton-exciton conversion mechanism, which allows a cascaded energy transfer process. Thus, the planar MOS structure provides a platform seamlessly combining 2D light-emitting materials with plasmonic planar waveguides, offering great potential for developing integrated photonic/plasmonic functionalities.

  19. A novel long range spin chain and planar N=4 super Yang-Mills

    International Nuclear Information System (INIS)

    Beisert, N.; Dippel, V.; Staudacher, M.

    2004-01-01

    We probe the long-range spin chain approach to planar N=4 gauge theory at high loop order. A recently employed hyperbolic spin chain invented by Inozemtsev is suitable for the SU(2) subsector of the state space up to three loops, but ceases to exhibit the conjectured thermodynamic scaling properties at higher orders. We indicate how this may be bypassed while nevertheless preserving integrability, and suggest the corresponding all-loop asymptotic Bethe ansatz. We also propose the local part of the all-loop gauge transfer matrix, leading to conjectures for the asymptotically exact formulae for all local commuting charges. The ansatz is finally shown to be related to a standard inhomogeneous spin chain. A comparison of our ansatz to semi-classical string theory uncovers a detailed, non-perturbative agreement between the corresponding expressions for the infinite tower of local charge densities. However, the respective Bethe equations differ slightly, and we end by refining and elaborating a previously proposed possible explanation for this disagreement. (author)

  20. Strong asymmetry for surface modes in nonlinear lattices with long-range coupling

    International Nuclear Information System (INIS)

    Martinez, Alejandro J.; Vicencio, Rodrigo A.; Molina, Mario I.

    2010-01-01

    We analyze the formation of localized surface modes on a nonlinear cubic waveguide array in the presence of exponentially decreasing long-range interactions. We find that the long-range coupling induces a strong asymmetry between the focusing and defocusing cases for the topology of the surface modes and also for the minimum power needed to generate them. In particular, for the defocusing case, there is an upper power threshold for exciting staggered modes, which depends strongly on the long-range coupling strength. The power threshold for dynamical excitation of surface modes increases (decreases) with the strength of long-range coupling for the focusing (defocusing) cases. These effects seem to be generic for discrete lattices with long-range interactions.

  1. Hydrated Electron Transfer to Nucleobases in Aqueous Solutions Revealed by Ab Initio Molecular Dynamics Simulations.

    Science.gov (United States)

    Zhao, Jing; Wang, Mei; Fu, Aiyun; Yang, Hongfang; Bu, Yuxiang

    2015-08-03

    We present an ab initio molecular dynamics (AIMD) simulation study into the transfer dynamics of an excess electron from its cavity-shaped hydrated electron state to a hydrated nucleobase (NB)-bound state. In contrast to the traditional view that electron localization at NBs (G/A/C/T), which is the first step for electron-induced DNA damage, is related only to dry or prehydrated electrons, and a fully hydrated electron no longer transfers to NBs, our AIMD simulations indicate that a fully hydrated electron can still transfer to NBs. We monitored the transfer dynamics of fully hydrated electrons towards hydrated NBs in aqueous solutions by using AIMD simulations and found that due to solution-structure fluctuation and attraction of NBs, a fully hydrated electron can transfer to a NB gradually over time. Concurrently, the hydrated electron cavity gradually reorganizes, distorts, and even breaks. The transfer could be completed in about 120-200 fs in four aqueous NB solutions, depending on the electron-binding ability of hydrated NBs and the structural fluctuation of the solution. The transferring electron resides in the π*-type lowest unoccupied molecular orbital of the NB, which leads to a hydrated NB anion. Clearly, the observed transfer of hydrated electrons can be attributed to the strong electron-binding ability of hydrated NBs over the hydrated electron cavity, which is the driving force, and the transfer dynamics is structure-fluctuation controlled. This work provides new insights into the evolution dynamics of hydrated electrons and provides some helpful information for understanding the DNA-damage mechanism in solution. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. First-principles supercell calculations of small polarons with proper account for long-range polarization effects

    Science.gov (United States)

    Kokott, Sebastian; Levchenko, Sergey V.; Rinke, Patrick; Scheffler, Matthias

    2018-03-01

    We present a density functional theory (DFT) based supercell approach for modeling small polarons with proper account for the long-range elastic response of the material. Our analysis of the supercell dependence of the polaron properties (e.g., atomic structure, binding energy, and the polaron level) reveals long-range electrostatic effects and the electron–phonon (el–ph) interaction as the two main contributors. We develop a correction scheme for DFT polaron calculations that significantly reduces the dependence of polaron properties on the DFT exchange-correlation functional and the size of the supercell in the limit of strong el–ph coupling. Using our correction approach, we present accurate all-electron full-potential DFT results for small polarons in rocksalt MgO and rutile TiO2.

  3. Coexisting Kondo singlet state with antiferromagnetic long-range order: A possible ground state for Kondo insulators

    International Nuclear Information System (INIS)

    Zhang Guangming; Yu Lu

    2000-04-01

    The ground-state phase diagram of a half-filled anisotropic Kondo lattice model is calculated within a mean-field theory. For small transverse exchange coupling J perpendicular perpendicular c1 , the ground state shows an antiferromagnetic long-range order with finite staggered magnetizations of both localized spins and conduction electrons. When J perpendicular > J perpendicular c2 , the long-range order is destroyed and the system is in a disordered Kondo singlet state with a hybridization gap. Both ground states can describe the low-temperature phases of Kondo insulating compounds. Between these two distinct phases, there may be a coexistent regime as a result of the balance between local Kondo screening and magnetic interactions. (author)

  4. Type IV pili of Acidithiobacillus ferrooxidans can transfer electrons from extracellular electron donors.

    Science.gov (United States)

    Li, Yongquan; Li, Hongyu

    2014-03-01

    Studies on Acidithiobacillus ferrooxidans accepting electrons from Fe(II) have previously focused on cytochrome c. However, we have discovered that, besides cytochrome c, type IV pili (Tfp) can transfer electrons. Here, we report conduction by Tfp of A. ferrooxidans analyzed with a conducting-probe atomic force microscope (AFM). The results indicate that the Tfp of A. ferrooxidans are highly conductive. The genome sequence of A. ferrooxidans ATCC 23270 contains two genes, pilV and pilW, which code for pilin domain proteins with the conserved amino acids characteristic of Tfp. Multiple alignment analysis of the PilV and PilW (pilin) proteins indicated that pilV is the adhesin gene while pilW codes for the major protein element of Tfp. The likely function of Tfp is to complete the circuit between the cell surface and Fe(II) oxides. These results indicate that Tfp of A. ferrooxidans might serve as biological nanowires transferring electrons from the surface of Fe(II) oxides to the cell surface. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Electron transfer reactions of macrocyclic compounds of cobalt

    Energy Technology Data Exchange (ETDEWEB)

    Heckman, R.A.

    1978-08-01

    The kinetics and mechanisms of reduction of H/sub 2/O/sub 2/, Br/sub 2/, and I/sub 2/ by various macrocyclic tetraaza complexes of cobalt(II), including Vitamin B/sub 12r/, were studied. The synthetic macrocycles studied were all 14-membered rings which varied in the degree of unsaturation,substitution of methyl groups on the periphery of the ring, and substitution within the ring itself. Scavenging experiments demonstrated that the reductions of H/sub 2/O/sub 2/ produce free hydroxyl radicals only in the case of Co((14)ane)/sup 2 +/ but with none of the others. In the latter instances apparently H/sub 2/O/sub 2/ simultaneously oxidizes the metal center and the ligand. The reductions of Br/sub 2/ and I/sub 2/ produce an aquohalocobalt(III) product for all reductants (except B/sub 12r/ + Br/sub 2/, which was complicated by bromination of the corrin ring). The mechanism of halogen reduction was found to involve rate-limiting inner-sphere electron transfer from cobalt to halogen to produce a dihalide anion coordinated to the cobalt center. This intermediate subsequently decomposes in rapid reactions to halocobalt(III) and halogen atom species or reacts with another cobalt(II) center to give two molecules of halocobalt(III). The reductions of halomethylcobaloximes and related compounds and diamminecobaloxime by Cr/sup 2 +/ were also studied. The reaction was found to be biphasic in all cases with the reaction products being halomethane (for the halomethylcobaloximes), Co/sup 2 +/ (in less than 100 percent yield), a Cr(III)-dimethylglyoxime species, a small amount of free dmgH/sub 2/, and a highly-charged species containing both cobalt and chromium. The first-stage reaction occurs with a stoichiometry of 1:1 producing an intermediate with an absorption maximum at 460 nm for all starting reagents. The results were interpreted in terms of inner-sphere coordination of the cobaloxime to the Cr(II) and electron transfer through the oxime N-O bond.

  6. Coherence transfer and electron T1-, T2-relaxation in nitroxide spin labels

    DEFF Research Database (Denmark)

    Marsh, Derek

    2017-01-01

    -hyperfine anisotropies of isolated nitroxide spin labels. Results compatible with earlier treatments by Redfield theory are obtained without specifically evaluating matrix elements. Extension to single-transition operators for isolated nitroxides predicts electron coherence transfer by pseudosecular electron...

  7. Direct electron transfer from glucose oxidase immobilized on a nano-porous glassy carbon electrode

    International Nuclear Information System (INIS)

    Haghighi, Behzad; Tabrizi, Mahmoud Amouzadeh

    2011-01-01

    Highlights: → A direct electron transfer reaction of glucose oxidase was observed on the surface of a nano-porous glassy carbon electrode. → A pair of well-defined and reversible redox peaks was observed at the formal potential of approximately -0.439 V. → The apparent electron transfer rate constant was measured to be 5.27 s -1 . → A mechanism for the observed direct electron transfer reaction was proposed, which consists of a two-electron and a two-proton transfer. - Abstract: A pair of well-defined and reversible redox peaks was observed for the direct electron transfer (DET) reaction of an immobilized glucose oxidase (GOx) on the surface of a nano-porous glassy carbon electrode at the formal potential (E o ') of -0.439 V versus Ag/AgCl/saturated KCl. The electron transfer rate constant (k s ) was calculated to be 5.27 s -1 . The dependence of E o ' on pH indicated that the direct electron transfer of the GOx was a two-electron transfer process, coupled with two-proton transfer. The results clearly demonstrate that the nano-porous glassy carbon electrode is a cost-effective and ready-to-use scaffold for the fabrication of a glucose biosensor.

  8. Direct electron transfer from glucose oxidase immobilized on a nano-porous glassy carbon electrode

    Energy Technology Data Exchange (ETDEWEB)

    Haghighi, Behzad, E-mail: haghighi@iasbs.ac.ir [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Gava Zang, Zanjan (Iran, Islamic Republic of); Tabrizi, Mahmoud Amouzadeh [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Gava Zang, Zanjan (Iran, Islamic Republic of)

    2011-11-30

    Highlights: > A direct electron transfer reaction of glucose oxidase was observed on the surface of a nano-porous glassy carbon electrode. > A pair of well-defined and reversible redox peaks was observed at the formal potential of approximately -0.439 V. > The apparent electron transfer rate constant was measured to be 5.27 s{sup -1}. > A mechanism for the observed direct electron transfer reaction was proposed, which consists of a two-electron and a two-proton transfer. - Abstract: A pair of well-defined and reversible redox peaks was observed for the direct electron transfer (DET) reaction of an immobilized glucose oxidase (GOx) on the surface of a nano-porous glassy carbon electrode at the formal potential (E{sup o}') of -0.439 V versus Ag/AgCl/saturated KCl. The electron transfer rate constant (k{sub s}) was calculated to be 5.27 s{sup -1}. The dependence of E{sup o}' on pH indicated that the direct electron transfer of the GOx was a two-electron transfer process, coupled with two-proton transfer. The results clearly demonstrate that the nano-porous glassy carbon electrode is a cost-effective and ready-to-use scaffold for the fabrication of a glucose biosensor.

  9. 77 FR 50243 - Electronic Fund Transfers (Regulation E)

    Science.gov (United States)

    2012-08-20

    ... transfers. DATES: This rule is effective February 7, 2013. FOR FURTHER INFORMATION CONTACT: Eric Goldberg... variation in the demand for remittance transfers, the Bureau believes that an annual figure is the most...

  10. Electron transfer precedes ATP hydrolysis during nitrogenase catalysis

    Science.gov (United States)

    Duval, Simon; Danyal, Karamatullah; Shaw, Sudipta; Lytle, Anna K.; Dean, Dennis R.; Hoffman, Brian M.; Antony, Edwin; Seefeldt, Lance C.

    2013-01-01

    The biological reduction of N2 to NH3 catalyzed by Mo-dependent nitrogenase requires at least eight rounds of a complex cycle of events associated with ATP-driven electron transfer (ET) from the Fe protein to the catalytic MoFe protein, with each ET coupled to the hydrolysis of two ATP molecules. Although steps within this cycle have been studied for decades, the nature of the coupling between ATP hydrolysis and ET, in particular the order of ET and ATP hydrolysis, has been elusive. Here, we have measured first-order rate constants for each key step in the reaction sequence, including direct measurement of the ATP hydrolysis rate constant: kATP = 70 s−1, 25 °C. Comparison of the rate constants establishes that the reaction sequence involves four sequential steps: (i) conformationally gated ET (kET = 140 s−1, 25 °C), (ii) ATP hydrolysis (kATP = 70 s−1, 25 °C), (iii) Phosphate release (kPi = 16 s−1, 25 °C), and (iv) Fe protein dissociation from the MoFe protein (kdiss = 6 s−1, 25 °C). These findings allow completion of the thermodynamic cycle undergone by the Fe protein, showing that the energy of ATP binding and protein–protein association drive ET, with subsequent ATP hydrolysis and Pi release causing dissociation of the complex between the Feox(ADP)2 protein and the reduced MoFe protein. PMID:24062462

  11. Electron transfer precedes ATP hydrolysis during nitrogenase catalysis.

    Science.gov (United States)

    Duval, Simon; Danyal, Karamatullah; Shaw, Sudipta; Lytle, Anna K; Dean, Dennis R; Hoffman, Brian M; Antony, Edwin; Seefeldt, Lance C

    2013-10-08

    The biological reduction of N2 to NH3 catalyzed by Mo-dependent nitrogenase requires at least eight rounds of a complex cycle of events associated with ATP-driven electron transfer (ET) from the Fe protein to the catalytic MoFe protein, with each ET coupled to the hydrolysis of two ATP molecules. Although steps within this cycle have been studied for decades, the nature of the coupling between ATP hydrolysis and ET, in particular the order of ET and ATP hydrolysis, has been elusive. Here, we have measured first-order rate constants for each key step in the reaction sequence, including direct measurement of the ATP hydrolysis rate constant: kATP = 70 s(-1), 25 °C. Comparison of the rate constants establishes that the reaction sequence involves four sequential steps: (i) conformationally gated ET (kET = 140 s(-1), 25 °C), (ii) ATP hydrolysis (kATP = 70 s(-1), 25 °C), (iii) Phosphate release (kPi = 16 s(-1), 25 °C), and (iv) Fe protein dissociation from the MoFe protein (kdiss = 6 s(-1), 25 °C). These findings allow completion of the thermodynamic cycle undergone by the Fe protein, showing that the energy of ATP binding and protein-protein association drive ET, with subsequent ATP hydrolysis and Pi release causing dissociation of the complex between the Fe(ox)(ADP)2 protein and the reduced MoFe protein.

  12. Diameter dependent electron transfer kinetics in semiconductor-enzyme complexes.

    Science.gov (United States)

    Brown, Katherine A; Song, Qing; Mulder, David W; King, Paul W

    2014-10-28

    Excited state electron transfer (ET) is a fundamental step for the catalytic conversion of solar energy into chemical energy. To understand the properties controlling ET between photoexcited nanoparticles and catalysts, the ET kinetics were measured for solution-phase complexes of CdTe quantum dots and Clostridium acetobutylicum [FeFe]-hydrogenase I (CaI) using time-resolved photoluminescence spectroscopy. Over a 2.0-3.5 nm diameter range of CdTe nanoparticles, the observed ET rate (kET) was sensitive to CaI concentration. To account for diameter effects on CaI binding, a Langmuir isotherm and two geometric binding models were created to estimate maximal CaI affinities and coverages at saturating concentrations. Normalizing the ET kinetics to CaI surface coverage for each CdTe diameter led to k(ET) values that were insensitive to diameter, despite a decrease in the free energy for photoexcited ET (ΔGET) with increasing diameter. The turnover frequency (TOF) of CaI in CdTe-CaI complexes was measured at several molar ratios. Normalization for diameter-dependent changes in CaI coverage showed an increase in TOF with diameter. These results suggest that k(ET) and H2 production for CdTe-CaI complexes are not strictly controlled by ΔG(ET) and that other factors must be considered.

  13. Direct Electron Transfer of Dehydrogenases for Development of 3rd Generation Biosensors and Enzymatic Fuel Cells

    Directory of Open Access Journals (Sweden)

    Paolo Bollella

    2018-04-01

    Full Text Available Dehydrogenase based bioelectrocatalysis has been increasingly exploited in recent years in order to develop new bioelectrochemical devices, such as biosensors and biofuel cells, with improved performances. In some cases, dehydrogeases are able to directly exchange electrons with an appropriately designed electrode surface, without the need for an added redox mediator, allowing bioelectrocatalysis based on a direct electron transfer process. In this review we briefly describe the electron transfer mechanism of dehydrogenase enzymes and some of the characteristics required for bioelectrocatalysis reactions via a direct electron transfer mechanism. Special attention is given to cellobiose dehydrogenase and fructose dehydrogenase, which showed efficient direct electron transfer reactions. An overview of the most recent biosensors and biofuel cells based on the two dehydrogenases will be presented. The various strategies to prepare modified electrodes in order to improve the electron transfer properties of the device will be carefully investigated and all analytical parameters will be presented, discussed and compared.

  14. Electrochemical Measurement of Electron Transfer Kinetics by Shewanella oneidensis MR-1*

    Science.gov (United States)

    Baron, Daniel; LaBelle, Edward; Coursolle, Dan; Gralnick, Jeffrey A.; Bond, Daniel R.

    2009-01-01

    Shewanella oneidensis strain MR-1 can respire using carbon electrodes and metal oxyhydroxides as electron acceptors, requiring mechanisms for transferring electrons from the cell interior to surfaces located beyond the cell. Although purified outer membrane cytochromes will reduce both electrodes and metals, S. oneidensis also secretes flavins, which accelerate electron transfer to metals and electrodes. We developed techniques for detecting direct electron transfer by intact cells, using turnover and single turnover voltammetry. Metabolically active cells attached to graphite electrodes produced thin (submonolayer) films that demonstrated both catalytic and reversible electron transfer in the presence and absence of flavins. In the absence of soluble flavins, electron transfer occurred in a broad potential window centered at ∼0 V (versus standard hydrogen electrode), and was altered in single (ΔomcA, ΔmtrC) and double deletion (ΔomcA/ΔmtrC) mutants of outer membrane cytochromes. The addition of soluble flavins at physiological concentrations significantly accelerated electron transfer and allowed catalytic electron transfer to occur at lower applied potentials (−0.2 V). Scan rate analysis indicated that rate constants for direct electron transfer were slower than those reported for pure cytochromes (∼1 s−1). These observations indicated that anodic current in the higher (>0 V) window is due to activation of a direct transfer mechanism, whereas electron transfer at lower potentials is enabled by flavins. The electrochemical dissection of these activities in living cells into two systems with characteristic midpoint potentials and kinetic behaviors explains prior observations and demonstrates the complementary nature of S. oneidensis electron transfer strategies. PMID:19661057

  15. Cooperative electrocatalytic alcohol oxidation with electron-proton-transfer mediators

    Science.gov (United States)

    Badalyan, Artavazd; Stahl, Shannon S.

    2016-07-01

    electron-proton-transfer mediators, such as TEMPO, may be used in combination with first-row transition metals, such as copper, to achieve efficient two-electron electrochemical processes, thereby introducing a new concept for the development of non-precious-metal electrocatalysts.

  16. Loss of long-range magnetic order in a nanoparticle assembly due to random anisotropy

    International Nuclear Information System (INIS)

    Binns, C; Howes, P B; Baker, S H; Marchetto, H; Potenza, A; Steadman, P; Dhesi, S S; Roy, M; Everard, M J; Rushforth, A

    2008-01-01

    We have used soft x-ray photoemission electron microscopy (XPEEM) combined with x-ray magnetic circular dichroism (XMCD) and DC SQUID (superconducting quantum interference device) magnetometry to probe the magnetic ground state in Fe thin films produced by depositing size-selected gas-phase Fe nanoparticles with a diameter of 1.7 nm (∼200 atoms) onto Si substrates. The depositions were carried out in ultrahigh vacuum conditions and thicknesses of the deposited film in the range 5-50 nm were studied. The magnetometry data are consistent with the film forming a correlated super-spin glass with a magnetic correlation length ∼5 nm. The XPEEM magnetic maps from the cluster-assembled films were compared to those for a conventional thin Fe film with a thickness of 20 nm produced by a molecular beam epitaxy (MBE) source. Whereas a normal magnetic domain structure is observed in the conventional MBE thin film, no domain structure could be observed in any of the nanoparticle films down to the resolution limit of the XMCD based XPEEM (100 nm) confirming the ground state indicated by the magnetometry measurements. This observation is consistent with the theoretical prediction that an arbitrarily weak random anisotropy field will destroy long-range magnetic order

  17. Comment on "Many-body localization in Ising models with random long-range interactions"

    Science.gov (United States)

    Maksymov, Andrii O.; Rahman, Noah; Kapit, Eliot; Burin, Alexander L.

    2017-11-01

    This Comment is dedicated to the investigation of many-body localization in a quantum Ising model with long-range power-law interactions r-α, relevant for a variety of systems ranging from electrons in Anderson insulators to spin excitations in chains of cold atoms. It has earlier been argued [arXiv:cond-mat/0611387 (2005); Phys. Rev. B 91, 094202 (2015), 10.1103/PhysRevB.91.094202] that this model obeys the dimensional constraint suggesting the delocalization of all finite-temperature states in the thermodynamic limit for α ≤2 d in a d -dimensional system. This expectation conflicts with the recent numerical studies of the specific interacting spin model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625]. To resolve this controversy we reexamine the model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625] and demonstrate that the infinite-temperature states there obey the dimensional constraint. The earlier developed scaling theory for the critical system size required for delocalization is extended to small exponents 0 ≤α ≤d . The disagreements between the two works are explained by the nonstandard selection of investigated states in the ordered phase in the work of Li et al. [Phys. Rev. A 94, 063625 (2016)type="doi" specific-use="suppress-display">10.1103/PhysRevA.94.063625].

  18. Ductile long range ordered alloys with high critical ordering temperature and wrought articles fabricated therefrom

    Science.gov (United States)

    Liu, Chain T.; Inouye, Henry

    1979-01-01

    Malleable long range ordered alloys having high critical ordering temperatures exist in the V(Fe, Co).sub.3 and V(Fe, Co, Ni).sub.3 systems. These alloys have the following compositions comprising by weight: 22-23% V, 14-30% Fe, and the remainder Co or Co and Ni with an electron density no more than 7.85. The maximum combination of high temperature strength, ductility and creep resistance are manifested in the alloy comprising by weight 22-23% V, 14-20% Fe and the remainder Co and having an atomic composition of V(Fe .sub.0.20-0.26 C Co.sub.0.74-0.80).sub.3. The alloy comprising by weight 22-23% V, 16-17% Fe and 60-62% Co has excellent high temperature properties. The alloys are fabricable into wrought articles by casting, deforming, and annealing for sufficient time to provide ordered structure.

  19. The Iron-Sulfur Cluster of Electron Transfer Flavoprotein-ubiquinone Oxidoreductase (ETF-QO) is the Electron Acceptor for Electron Transfer Flavoprotein†

    Science.gov (United States)

    Swanson, Michael A.; Usselman, Robert J.; Frerman, Frank E.; Eaton, Gareth R.; Eaton, Sandra S.

    2011-01-01

    Electron-transfer flavoprotein-ubiquinone oxidoreductase (ETF-QO) accepts electrons from electron-transfer flavoprotein (ETF) and reduces ubiquinone from the ubiquinone-pool. It contains one [4Fe-4S]2+,1+ and one FAD, which are diamagnetic in the isolated oxidized enzyme and can be reduced to paramagnetic forms by enzymatic donors or dithionite. In the porcine protein, threonine 367 is hydrogen bonded to N1 and O2 of the flavin ring of the FAD. The analogous site in Rhodobacter sphaeroides ETF-QO is asparagine 338. Mutations N338T and N338A were introduced into the R. sphaeroides protein by site-directed mutagenesis to determine the impact of hydrogen bonding at this site on redox potentials and activity. The mutations did not alter the optical spectra, EPR g-values, spin-lattice relaxation rates, or the [4Fe-4S]2+,1+ to FAD point-dipole interspin distances. The mutations had no impact on the reduction potential for the iron-sulfur cluster, which was monitored by changes in the continuous wave EPR signals of the [4Fe-4S]+ at 15 K. For the FAD semiquinone, significantly different potentials were obtained by monitoring the titration at 100 or 293 K. Based on spectra at 293 K the N338T mutation shifted the first and second midpoint potentials for the FAD from +47 mV and −30 mV for wild type to −11 mV and −19 mV, respectively. The N338A mutation decreased the potentials to −37 mV and −49 mV. Lowering the midpoint potentials resulted in a decrease in the quinone reductase activity and negligible impact on disproportionation of ETF1e− catalyzed by ETF-QO. These observations indicate that the FAD is involved in electron transfer to ubiquinone, but not in electron transfer from ETF to ETF-QO. Therefore the iron-sulfur cluster is the immediate acceptor from ETF. PMID:18672901

  20. Photoinduced bimolecular electron transfer kinetics in small unilamellar vesicles

    International Nuclear Information System (INIS)

    Choudhury, Sharmistha Dutta; Kumbhakar, Manoj; Nath, Sukhendu; Pal, Haridas

    2007-01-01

    Photoinduced electron transfer (ET) from N,N-dimethylaniline to some coumarin derivatives has been studied in small unilamellar vesicles (SUVs) of the phospholipid, DL-α-dimyristoyl-phosphatidylcholine, using steady-state and time-resolved fluorescence quenching, both below and above the phase transition temperature of the vesicles. The primary interest was to examine whether Marcus inversion [H. Sumi and R. A. Marcus, J. Chem. Phys. 84, 4894 (1986)] could be observed for the present ET systems in these organized assemblies. The influence of the topology of SUVs on the photophysical properties of the reactants and consequently on their ET kinetics has also been investigated. Absorption and fluorescence spectral data of the coumarins in SUVs and the variation of their fluorescence decays with temperature indicate that the dyes are localized in the bilayer of the SUVs. Time-resolved area normalized emission spectra analysis, however, reveals that the dyes are distributed in two different microenvironments in the SUVs, which we attribute to the two leaflets of the bilayer, one toward bulk water and the other toward the inner water pool. The microenvironments in the two leaflets are, however, not indicated to be that significantly different. Time-resolved anisotropy decays were biexponential for all the dyes in SUVs, and this has been interpreted in terms of the compound motion model according to which the dye molecules can experience a fast wobbling-in-cone type of motion as well as a slow overall rotating motion of the cone containing the molecule. The expected bimolecular diffusion-controlled rates in SUVs, as estimated by comparing the microviscosities in SUVs (determined from rotational correlation times) and that in acetonitrile solution, are much slower than the observed fluorescence quenching rates, suggesting that reactant diffusion (translational) does not play any role in the quenching kinetics in the present systems. Accordingly, clear inversions are

  1. Direct interaction between linear electron transfer chains and solute transport systems in bacteria

    NARCIS (Netherlands)

    Elferink, Marieke G.L.; Hellingwerf, Klaas J.; Belkum, Marco J. van; Poolman, Bert; Konings, Wil N.

    1984-01-01

    In studies on alanine and lactose transport in Rhodopseudomonas sphaeroides we have demonstrated that the rate of solute uptake in this phototrophic bacterium is regulated by the rate of light-induced cyclic electron transfer. In the present paper the interaction between linear electron transfer

  2. Molecular dynamics simulation of the first electron transfer step in the oxygen reduction reaction

    NARCIS (Netherlands)

    Hartnig, C.B.; Koper, M.T.M.

    2002-01-01

    We present a molecular dynamics simulation of solvent reorganization in the first electron transfer step in the oxygen reduction reaction, i.e. O2+e-¿O2-, modeled as taking place in the outer Helmholtz plane. The first electron transfer step is usually considered the rate-determining step from many

  3. Photoinduced energy and electron transfer in rubrene-benzoquinone and rubrene-porphyrin systems

    KAUST Repository

    Khan, Jafar Iqbal

    2014-11-01

    Excited-state electron and energy transfer from singlet excited rubrene (Ru) to benzoquinone (BQ) and tetra-(4-aminophenyl) porphyrin (TAPP) were investigated by steady-state absorption and emission, time-resolved transient absorption, and femtosecond (fs)-nanosecond (ns) fluorescence spectroscopy. The low reduction potential of BQ provides the high probability of electron transfer from the excited Ru to BQ. Steady-state and time-resolved results confirm such an excited electron transfer scenario. On the other hand, strong spectral overlap between the emission of Ru and absorption of TAPP suggests that energy transfer is a possible deactivation pathway of the Ru excited state.

  4. Ice cloud formation potential by free tropospheric particles from long-range transport over the Northern Atlantic Ocean

    Science.gov (United States)

    China, Swarup; Alpert, Peter A.; Zhang, Bo; Schum, Simeon; Dzepina, Katja; Wright, Kendra; Owen, R. Chris; Fialho, Paulo; Mazzoleni, Lynn R.; Mazzoleni, Claudio; Knopf, Daniel A.

    2017-03-01

    Long-range transported free tropospheric particles can play a significant role on heterogeneous ice nucleation. Using optical and electron microscopy we examine the physicochemical characteristics of ice nucleating particles (INPs). Particles were collected on substrates from the free troposphere at the remote Pico Mountain Observatory in the Azores Islands, after long-range transport and aging over the Atlantic Ocean. We investigate four specific events to study the ice formation potential by the collected particles with different ages and transport patterns. We use single-particle analysis, as well as bulk analysis to characterize particle populations. Both analyses show substantial differences in particle composition between samples from the four events; in addition, single-particle microscopy analysis indicates that most particles are coated by organic material. The identified INPs contained mixtures of dust, aged sea salt and soot, and organic material acquired either at the source or during transport. The temperature and relative humidity (RH) at which ice formed, varied only by 5% between samples, despite differences in particle composition, sources, and transport patterns. We hypothesize that this small variation in the onset RH may be due to the coating material on the particles. This study underscores and motivates the need to further investigate how long-range transported and atmospherically aged free tropospheric particles impact ice cloud formation.

  5. Using X-ray microbeam diffraction to study the long-range internal stresses in aluminum processed by ECAP

    International Nuclear Information System (INIS)

    Lee, I-Fang; Phan, Thien Q.; Levine, Lyle E.; Tischler, Jonathan Z.; Geantil, Peter T.; Huang, Yi; Langdon, Terence G.; Kassner, Michael E.

    2013-01-01

    Aluminum alloy 1050 was processed by equal-channel angular pressing (ECAP) using a single pass (equivalent uniaxial strain of about 0.88). Long-range internal stresses (LRISs) were assessed in the grain/subgrain interiors using X-ray microbeam diffraction to measure the spacing of {5 3 1} planes, with normals oriented approximately +27.3°, +4.9° and −17.5° off the pressing (axial) direction. The results are consistent with mechanical analysis that suggests the maximum tensile plastic-strain after one pass is expected for +22.5°, roughly zero along the pressing axis, and maximum compressive strain for the −67.5° direction. The magnitude of the measured maximum compressive long-range internal stress is about 0.13σ a (applied stress) in low-dislocation regions within the grain/subgrain interiors. This work is placed in the context of earlier work where convergent beam electron diffraction was used to analyze LRISs in close proximity to the deformation-induced boundaries. The results are complementary and the measured stresses are consistent with a composite model for long-range internal stresses

  6. Effect of resonant-to-bulk electron momentum transfer on the efficiency of electron-cyclotron current-drive

    International Nuclear Information System (INIS)

    Matsuda, Y.; Smith, G.R.; Cohen, R.H.

    1989-01-01

    Efficiency of current drive by electron cyclotron waves is investigated numerically by a bounce-averaged Fokker-Planck code to ellucidate the effects of momentum transfer from resonant to bulk-electrons, finite bulk temperature relative to the energy of resonant electrons, and trapped electrons. Comparisons are made with existing theories to assess their validity and quantitative difference between theory and code results. Difference of nearly a factor of 2 was found in efficiency between some theory and code results. (author)

  7. Testing for long-range dependence in the Brazilian term structure of interest rates

    International Nuclear Information System (INIS)

    Cajueiro, Daniel O.; Tabak, Benjamin M.

    2009-01-01

    This paper presents empirical evidence of fractional dynamics in interest rates for different maturities for Brazil. A variation of a newly developed test for long-range dependence, the V/S statistic, with a post-blackening bootstrap is employed. Results suggest that Brazilian interest rates possess strong long-range dependence in volatility, even when considering the structural break in 1999. These findings imply that the development of policy models that give rise to long-range dependence in interest rates' volatility could be very useful. The long-short-term interest rates spread has strong long-range dependence, which suggests that traditional tests of expectation hypothesis of the term structure of interest rates may be misspecified.

  8. What moves you Arizona : long-range transportation plan : 2010-2035.

    Science.gov (United States)

    2011-11-01

    "What Moves You Arizona is the Arizona Department of Transportations (ADOT) Long-Range Transportation Plan (LRTP). The LRTP, or Plan, defines visionary, yet pragmatic, investment choices Arizona will make over the next 25 years to maintain a...

  9. A Study on Techniques for Focusing Circumferential Array Guided Waves for Long Range Inspection of Pipes

    International Nuclear Information System (INIS)

    Kang, To; Kim, Hak Joon; Song, Sung Jin; Cho, Young Do; Lee, Dong Hoon; Cho, Hyun Joon

    2009-01-01

    Ultrasonic guided waves have been widely utilized for long range inspection of structures. Especially, development of array guided waves techniques and its application for long range gas pipe lines(length of from hundreds meters to few km) were getting increased. In this study, focusing algorithm for array guided waves was developed in order to improve long range inspectability and accuracy of the array guided waves techniques for long range inspection of gas pipes, and performance of the developed techniques was verified by experiments using the developed array guided wave system. As a result, S/N ratio of array guided wave signals obtained with the focusing algorithm was increased higher than that of signals without focusing algorithm

  10. Relationships Between Long-Range Lightning Networks and TRMM/LIS Observations

    Science.gov (United States)

    Rudlosky, Scott D.; Holzworth, Robert H.; Carey, Lawrence D.; Schultz, Chris J.; Bateman, Monte; Cummins, Kenneth L.; Cummins, Kenneth L.; Blakeslee, Richard J.; Goodman, Steven J.

    2012-01-01

    Recent advances in long-range lightning detection technologies have improved our understanding of thunderstorm evolution in the data sparse oceanic regions. Although the expansion and improvement of long-range lightning datasets have increased their applicability, these applications (e.g., data assimilation, atmospheric chemistry, and aviation weather hazards) require knowledge of the network detection capabilities. The present study intercompares long-range lightning data with observations from the Lightning Imaging Sensor (LIS) aboard the Tropical Rainfall Measurement Mission (TRMM) satellite. The study examines network detection efficiency and location accuracy relative to LIS observations, describes spatial variability in these performance metrics, and documents the characteristics of LIS flashes that are detected by the long-range networks. Improved knowledge of relationships between these datasets will allow researchers, algorithm developers, and operational users to better prepare for the spatial and temporal coverage of the upcoming GOES-R Geostationary Lightning Mapper (GLM).

  11. Protein electron transfer: is biology (thermo)dynamic?

    International Nuclear Information System (INIS)

    Matyushov, Dmitry V

    2015-01-01

    Simple physical mechanisms are behind the flow of energy in all forms of life. Energy comes to living systems through electrons occupying high-energy states, either from food (respiratory chains) or from light (photosynthesis). This energy is transformed into the cross-membrane proton-motive force that eventually drives all biochemistry of the cell. Life’s ability to transfer electrons over large distances with nearly zero loss of free energy is puzzling and has not been accomplished in synthetic systems. The focus of this review is on how this energetic efficiency is realized. General physical mechanisms and interactions that allow proteins to fold into compact water-soluble structures are also responsible for a rugged landscape of energy states and a broad distribution of relaxation times. Specific to a protein as a fluctuating thermal bath is the protein-water interface, which is heterogeneous both dynamically and structurally. The spectrum of interfacial fluctuations is a consequence of protein’s elastic flexibility combined with a high density of surface charges polarizing water dipoles into surface nanodomains. Electrostatics is critical to the protein function and the relevant questions are: (i) What is the spectrum of interfacial electrostatic fluctuations? (ii) Does the interfacial biological water produce electrostatic signatures specific to proteins? (iii) How is protein-mediated chemistry affected by electrostatics? These questions connect the fluctuation spectrum to the dynamical control of chemical reactivity, i.e. the dependence of the activation free energy of the reaction on the dynamics of the bath. Ergodicity is often broken in protein-driven reactions and thermodynamic free energies become irrelevant. Continuous ergodicity breaking in a dense spectrum of relaxation times requires using dynamically restricted ensembles to calculate statistical averages. When applied to the calculation of the rates, this formalism leads to the nonergodic

  12. A short comparison of electron and proton transfer processes in biological systems

    International Nuclear Information System (INIS)

    Bertrand, Patrick

    2005-01-01

    The main differences between electron and proton transfers that take place in biological systems are examined. The relation between the distance dependence of the rate constant and the mass of the transferred particle is analyzed in detail. Differences between the two processes have important consequences at the experimental level, which are discussed. The various mechanisms that ensure the coupling between electron and proton transfers are briefly described

  13. Demonstration of Lignin-to-Peroxidase Direct Electron Transfer

    Science.gov (United States)

    Sáez-Jiménez, Verónica; Baratto, Maria Camilla; Pogni, Rebecca; Rencoret, Jorge; Gutiérrez, Ana; Santos, José Ignacio; Martínez, Angel T.; Ruiz-Dueñas, Francisco Javier

    2015-01-01

    Versatile peroxidase (VP) is a high redox-potential peroxidase of biotechnological interest that is able to oxidize phenolic and non-phenolic aromatics, Mn2+, and different dyes. The ability of VP from Pleurotus eryngii to oxidize water-soluble lignins (softwood and hardwood lignosulfonates) is demonstrated here by a combination of directed mutagenesis and spectroscopic techniques, among others. In addition, direct electron transfer between the peroxidase and the lignin macromolecule was kinetically characterized using stopped-flow spectrophotometry. VP variants were used to show that this reaction strongly depends on the presence of a solvent-exposed tryptophan residue (Trp-164). Moreover, the tryptophanyl radical detected by EPR spectroscopy of H2O2-activated VP (being absent from the W164S variant) was identified as catalytically active because it was reduced during lignosulfonate oxidation, resulting in the appearance of a lignin radical. The decrease of lignin fluorescence (excitation at 355 nm/emission at 400 nm) during VP treatment under steady-state conditions was accompanied by a decrease of the lignin (aromatic nuclei and side chains) signals in one-dimensional and two-dimensional NMR spectra, confirming the ligninolytic capabilities of the enzyme. Simultaneously, size-exclusion chromatography showed an increase of the molecular mass of the modified residual lignin, especially for the (low molecular mass) hardwood lignosulfonate, revealing that the oxidation products tend to recondense during the VP treatment. Finally, mutagenesis of selected residues neighboring Trp-164 resulted in improved apparent second-order rate constants for lignosulfonate reactions, revealing that changes in its protein environment (modifying the net negative charge and/or substrate accessibility/binding) can modulate the reactivity of the catalytic tryptophan. PMID:26240145

  14. Force-induced unzipping of DNA with long-range correlated sequence

    OpenAIRE

    Allahverdyan, A. E.; Gevorkian, Zh. S.

    2002-01-01

    We consider force-induced unzipping transition for a heterogeneous DNA model with a long-range correlated base-sequence. It is shown that as compared to the uncorrelated situation, long-range correlations smear the unzipping phase-transition, change its universality class and lead to non-self-averaging: the averaged behavior strongly differs from the typical ones. Several basic scenarios for this typical behavior are revealed and explained. The results can be relevant for explaining the biolo...

  15. Long-range dependence in returns and volatility of Central European Stock Indices

    Czech Academy of Sciences Publication Activity Database

    Krištoufek, Ladislav

    2010-01-01

    Roč. 2010, č. 3 (2010), s. 1-19 R&D Projects: GA ČR GD402/09/H045 Institutional research plan: CEZ:AV0Z10750506 Keywords : long-range dependence * rescaled range * modified rescaled range * bootstrapping Subject RIV: AH - Economics http://library.utia.cas.cz/separaty/2010/E/kristoufek-long-range dependence in returns and volatility of central european stock indices.pdf

  16. Pulse radiolytic and electrochemical investigations of intramolecular electron transfer in carotenoporphyrins and carotenoporphyrin-quinone triads

    International Nuclear Information System (INIS)

    Land, E.J.; Lexa, D.; Bensasson, R.V.; Gust, D.; Moore, T.A.; Moore, A.L.; Liddell, P.A.; Nemeth, G.A.

    1987-01-01

    Thermodynamic and kinetic aspects of intramolecular electron-transfer reactions in carotenoporphyrin dyads and carotenoid-porphyrin-quinone triads have been studied by using pulse radiolysis and cyclic voltammetry. Rapid (<1 μs) electron transfer from carotenoid radical anions to attached porphyrins has been inferred. Carotenoid cations, on the other hand, do not readily accept electrons from attached porphyrins or pyropheophorbides. Electrochemical studies provide the thermodynamic basis for these observations and also allow estimation of the energetics of photoinitiated two-step electron transfer and two-step charge recombination in triad models for photosynthetic charge separation

  17. Long-range Electron Transport in Geobacter sulfurreducens Biofilms is Redox Gradient-Driven

    Science.gov (United States)

    2012-01-01

    modified version of the Nernst Equation (Eq. 2): ðXOxÞz=0; j = exp g nF RT Ej − Eo′ avg 1+ exp g nF RT Ej − Eo′ avg : [2] j= 1...www.pnas.org/cgi/doi/10.1073/pnas.1209829109 Snider et al. that follows directly from equation 21 in the work by Strycharz- Glaven et al. (14, 63

  18. A better understanding of long-range temporal dependence of traffic flow time series

    Science.gov (United States)

    Feng, Shuo; Wang, Xingmin; Sun, Haowei; Zhang, Yi; Li, Li

    2018-02-01

    Long-range temporal dependence is an important research perspective for modelling of traffic flow time series. Various methods have been proposed to depict the long-range temporal dependence, including autocorrelation function analysis, spectral analysis and fractal analysis. However, few researches have studied the daily temporal dependence (i.e. the similarity between different daily traffic flow time series), which can help us better understand the long-range temporal dependence, such as the origin of crossover phenomenon. Moreover, considering both types of dependence contributes to establishing more accurate model and depicting the properties of traffic flow time series. In this paper, we study the properties of daily temporal dependence by simple average method and Principal Component Analysis (PCA) based method. Meanwhile, we also study the long-range temporal dependence by Detrended Fluctuation Analysis (DFA) and Multifractal Detrended Fluctuation Analysis (MFDFA). The results show that both the daily and long-range temporal dependence exert considerable influence on the traffic flow series. The DFA results reveal that the daily temporal dependence creates crossover phenomenon when estimating the Hurst exponent which depicts the long-range temporal dependence. Furthermore, through the comparison of the DFA test, PCA-based method turns out to be a better method to extract the daily temporal dependence especially when the difference between days is significant.

  19. Positronium Inhibition and Quenching by Organic Electron Acceptors and Charge Transfer Complexes

    DEFF Research Database (Denmark)

    Jansen, P.; Eldrup, Morten Mostgaard; Jensen, Bror Skytte

    1975-01-01

    Positron lifetime measurements were performed on a series of organic electron acceptors and charge-transfer complexes in solution. The acceptors cause both positronium (Ps) inhibition (with maybe one exception) and quenching, but when an acceptor takes part in a charge-transfer complex...... in terms of the spur reaction model of Ps formation. Correlation was also made to gas phase reaction between electron acceptors and free electron, as well as to pulse radiolysis data....

  20. 77 FR 6193 - Electronic Fund Transfers (Regulation E)

    Science.gov (United States)

    2012-02-07

    ...''); Manuel Orozco, Inter- American Dialogue, Migration and Remittances in Times of Recession: Effects on... Reserve Bank of India; study was not limited to transfers from the United States); see also Manuel Orozco..., transfers). \\10\\ Elizabeth M. Grieco, Patricia de la Cruz et al., Who in the United States Sends and...

  1. Interplay of long-range and short-range Coulomb interactions in an Anderson-Mott insulator

    Science.gov (United States)

    Baćani, Mirko; Novak, Mario; Orbanić, Filip; Prša, Krunoslav; Kokanović, Ivan; Babić, Dinko

    2017-07-01

    In this paper, we tackle the complexity of coexisting disorder and Coulomb electron-electron interactions (CEEIs) in solids by addressing a strongly disordered system with intricate CEEIs and a screening that changes both with charge carrier doping level Q and temperature T . We report on an experimental comparative study of the T dependencies of the electrical conductivity σ and magnetic susceptibility χ of polyaniline pellets doped with dodecylbenzenesulfonic acid over a wide range. This material is special within the class of doped polyaniline by exhibiting in the electronic transport a crossover between a low-T variable range hopping (VRH) and a high-T nearest-neighbor hopping (NNH) well below room temperature. Moreover, there is evidence of a soft Coulomb gap ΔC in the disorder band, which implies the existence of a long-range CEEI. Simultaneously, there is an onsite CEEI manifested as a Hubbard gap U and originating in the electronic structure of doped polyaniline, which consists of localized electron states with dynamically varying occupancy. Therefore, our samples represent an Anderson-Mott insulator in which long-range and short-range CEEIs coexist. The main result of the study is the presence of a crossover between low- and high-T regimes not only in σ (T ) but also in χ (T ) , the crossover temperature T* being essentially the same for both observables over the entire doping range. The relatively large electron localization length along the polymer chains results in U being small, between 12 and 20 meV for the high and low Q , respectively. Therefore, the thermal energy at T* is sufficiently large to lead to an effective closing of the Hubbard gap and the consequent appearance of NNH in the electronic transport within the disorder band. ΔC is considerably larger than U , decreasing from 190 to 30 meV as Q increases, and plays the role of an activation energy in the NNH.

  2. Single-step electron transfer on the nanometer scale: ultra-fast charge shift in strongly coupled zinc porphyrin-gold porphyrin dyads.

    Science.gov (United States)

    Fortage, Jérôme; Boixel, Julien; Blart, Errol; Hammarström, Leif; Becker, Hans Christian; Odobel, Fabrice

    2008-01-01

    The synthesis, electrochemical properties, and photoinduced electron transfer processes of a series of three novel zinc(II)-gold(III) bisporphyrin dyads (ZnP--S--AuP(+)) are described. The systems studied consist of two trisaryl porphyrins connected directly in the meso position via an alkyne unit to tert-(phenylenethynylene) or penta(phenylenethynylene) spacers. In these dyads, the estimated center to center interporphyrin separation distance varies from 32 to 45 A. The absorption, emission, and electrochemical data indicate that there are strong electronic interactions between the linked elements, thanks to the direct attachment of the spacer on the porphyrin ring through the alkyne unit. At room temperature in toluene, light excitation of the zinc porphyrin results in almost quantitative formation of the charge shifted state (.+)ZnP--S--AuP(.), whose lifetime is in the order of hundreds of picoseconds. In this solvent, the charge-separated state decays to the ground state through the intermediate population of the zinc porphyrin triplet excited state. Excitation of the gold porphyrin leads instead to rapid energy transfer to the triplet ZnP. In dichloromethane the charge shift reactions are even faster, with time constants down to 2 ps, and may be induced also by excitation of the gold porphyrin. In this latter solvent, the longest charge-shifted lifetime (tau=2.3 ns) was obtained with the penta-(phenylenethynylene) spacer. The charge shift reactions are discussed in terms of bridge-mediated super-exchange mechanisms as electron or hole transfer. These new bis-porphyrin arrays, with strong electronic coupling, represent interesting molecular systems in which extremely fast and efficient long-range photoinduced charge shift occurs over a long distance. The rate constants are two to three orders of magnitude larger than for corresponding ZnP--AuP(+) dyads linked via meso-phenyl groups to oligo-phenyleneethynylene spacers. This study demonstrates the critical

  3. Ultrafast Photoinduced Electron Transfer in Bimolecular Donor-Acceptor Systems

    KAUST Repository

    Alsulami, Qana

    2016-01-01

    , electronic properties and chemical structure. Interestingly, clear correlations among the steady-state measurements, time-resolved spectroscopy results, grain alignment of the electron transporting layer (ETL), carrier mobility, and device performance

  4. Modulation transfer function and detective quantum efficiency of electron bombarded charge coupled device detector for low energy electrons

    Czech Academy of Sciences Publication Activity Database

    Horáček, Miroslav

    2005-01-01

    Roč. 76, č. 9 (2005), 093704:1-6 ISSN 0034-6748 R&D Projects: GA ČR(CZ) GA202/03/1575 Keywords : electron bombarded CCD * modulation transfer function * detective quantum efficiency Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.235, year: 2005

  5. Enhanced Performance of Dye-Sensitized Solar Cells with Nanostructure Graphene Electron Transfer Layer

    Directory of Open Access Journals (Sweden)

    Chih-Hung Hsu

    2014-01-01

    Full Text Available The utilization of nanostructure graphene thin films as electron transfer layer in dye-sensitized solar cells (DSSCs was demonstrated. The effect of a nanostructure graphene thin film in DSSC structure was examined. The nanostructure graphene thin films provides a great electron transfer channel for the photogenerated electrons from TiO2 to indium tin oxide (ITO glass. Obvious improvements in short-circuit current density of the DSSCs were observed by using the graphene electron transport layer modified photoelectrode. The graphene electron transport layer reduces effectively the back reaction in the interface between the ITO transparent conductive film and the electrolyte in the DSSC.

  6. Synergistic electron transfer effect-based signal amplification strategy for the ultrasensitive detection of dopamine.

    Science.gov (United States)

    Lu, Qiujun; Chen, Xiaogen; Liu, Dan; Wu, Cuiyan; Liu, Meiling; Li, Haitao; Zhang, Youyu; Yao, Shouzhuo

    2018-05-15

    The selective and sensitive detection of dopamine (DA) is of great significance for the identification of schizophrenia, Huntington's disease, and Parkinson's disease from the perspective of molecular diagnostics. So far, most of DA fluorescence sensors are based on the electron transfer from the fluorescence nanomaterials to DA-quinone. However, the limited electron transfer ability of the DA-quinone affects the level of detection sensitivity of these sensors. In this work, based on the DA can reduce Ag + into AgNPs followed by oxidized to DA-quinone, we developed a novel silicon nanoparticles-based electron transfer fluorescent sensor for the detection of DA. As electron transfer acceptor, the AgNPs and DA-quinone can quench the fluorescence of silicon nanoparticles effectively through the synergistic electron transfer effect. Compared with traditional fluorescence DA sensors, the proposed synergistic electron transfer-based sensor improves the detection sensitivity to a great extent (at least 10-fold improvement). The proposed sensor shows a low detection limit of DA, which is as low as 0.1 nM under the optimal conditions. This sensor has potential applicability for the detection of DA in practical sample. This work has been demonstrated to contribute to a substantial improvement in the sensitivity of the sensors. It also gives new insight into design electron transfer-based sensors. Copyright © 2018. Published by Elsevier B.V.

  7. The effect of intramolecular quantum modes on free energy relationships for electron transfer reactions

    DEFF Research Database (Denmark)

    Ulstrup, Jens; Jortner, Joshua

    1975-01-01

    A general quantum mechanical description of exothermic electron transfer reactions is formulated by treating such reactions as the nonradiative decay of a ''supermolecule'' consisting of the electron donor, the electron acceptor, and the polar solvent. In particular, the role of the high-frequenc...

  8. 48 CFR 52.232-33 - Payment by Electronic Funds Transfer-Central Contractor Registration.

    Science.gov (United States)

    2010-10-01

    ... Government under this contract shall be made by electronic funds transfer (EFT), except as provided in... 48 Federal Acquisition Regulations System 2 2010-10-01 2010-10-01 false Payment by Electronic... CONTRACT CLAUSES Text of Provisions and Clauses 52.232-33 Payment by Electronic Funds Transfer—Central...

  9. Electron Transfer in Donor-Bridge-Acceptor Systems and Derived Materials

    NARCIS (Netherlands)

    Oosterbaan, W.D.

    2002-01-01

    Some aspects of photoinduced electron transfer (ET) in (electron donor)-bridge-(electron acceptor) compounds (D-B-A) and derived materials are investigated. Aim I is to determine how and to which extent non-conjugated double bonds in an otherwise saturated hydrocarbon bridge affect the rate of

  10. Long-range transport and global fractionation of POPs: insights from multimedia modeling studies

    International Nuclear Information System (INIS)

    Scheringer, M.; Salzmann, M.; Stroebe, M.; Wegmann, F.; Fenner, K.; Hungerbuehler, K.

    2004-01-01

    The long-range transport of persistent organic pollutants (POPs) is investigated with two multimedia box models of the global system. ChemRange is a purely evaluative, one-dimensional steady-state (level III) model; CliMoChem is a two-dimensional model with different temperatures, land/water ratios and vegetation types in different latitudinal zones. Model results are presented for three case studies: (i) the effect of atmospheric aerosol particles on the long-range transport of POPs, (ii) the effect of oceanic deposition on the long-range transport of different PCB congeners, (iii) the global fractionation of different PCB congeners. The model results for these case studies show: (i) the low atmospheric half-lives estimated for several organochlorine pesticides are likely to be inconsistent with the observed long-range transport of these compounds; (ii) export to the deep sea reduces the potential for long-range transport of highly hydrophobic compounds (but does not remove these chemicals from the biosphere); (iii) there are different meanings of the term global fractionation that refer to different aspects of the fractionation process and need to be distinguished. The case-study results further indicate that the influences of varying environmental conditions on the physicochemical properties and the degradation rate constants of POPs need to be determined. - Multimedia box models are applied to case studies of the behavior of POPs

  11. Impact of electron delocalization on the nature of the charge-transfer states in model pentacene/C60 Interfaces: A density functional theory study

    KAUST Repository

    Yang, Bing

    2014-12-04

    Electronic delocalization effects have been proposed to play a key role in photocurrent generation in organic photovoltaic devices. Here, we study the role of charge delocalization on the nature of the charge-transfer (CT) states in the case of model complexes consisting of several pentacene molecules and one fullerene (C60) molecule, which are representative of donor/acceptor heterojunctions. The energies of the CT states are examined by means of time-dependent density functional theory (TD-DFT) using the long-range-corrected functional, ωB97X, with an optimized range-separation parameter, ω. We provide a general description of how the nature of the CT states is impacted by molecular packing (i.e., interfacial donor/acceptor orientations), system size, and intermolecular interactions, features of importance in the understanding of the charge-separation mechanism.

  12. Coupled sensitizer-catalyst dyads: electron-transfer reactions in a perylene-polyoxometalate conjugate.

    Science.gov (United States)

    Odobel, Fabrice; Séverac, Marjorie; Pellegrin, Yann; Blart, Errol; Fosse, Céline; Cannizzo, Caroline; Mayer, Cédric R; Elliott, Kristopher J; Harriman, Anthony

    2009-01-01

    Ultrafast discharge of a single-electron capacitor: A variety of intramolecular electron-transfer reactions are apparent for polyoxometalates functionalized with covalently attached perylene monoimide chromophores, but these are restricted to single-electron events. (et=electron transfer, cr=charge recombination, csr=charge-shift reaction, PER=perylene, POM=polyoxometalate).A new strategy is introduced that permits covalent attachment of an organic chromophore to a polyoxometalate (POM) cluster. Two examples are reported that differ according to the nature of the anchoring group and the flexibility of the linker. Both POMs are functionalized with perylene monoimide units, which function as photon collectors and form a relatively long-lived charge-transfer state under illumination. They are reduced to a stable pi-radical anion by electrolysis or to a protonated dianion under photolysis in the presence of aqueous triethanolamine. The presence of the POM opens up an intramolecular electron-transfer route by which the charge-transfer state reduces the POM. The rate of this process depends on the molecular conformation and appears to involve through-space interactions. Prior reduction of the POM leads to efficient fluorescence quenching, again due to intramolecular electron transfer. In most cases, it is difficult to resolve the electron-transfer products because of relatively fast reverse charge shift that occurs within a closed conformer. Although the POM can store multiple electrons, it has not proved possible to use these systems as molecular-scale capacitors because of efficient electron transfer from the one-electron-reduced POM to the excited singlet state of the perylene monoimide.

  13. Dipole and Coulomb forces in electron capture dissociation and electron transfer dissociation mass spectroscopy.

    Science.gov (United States)

    Świerszcz, Iwona; Skurski, Piotr; Simons, Jack

    2012-02-23

    Ab initio electronic structure calculations were performed on a doubly charged polypeptide model H(+)-Lys(Ala)(19)-CO-CH(NH(2))-CH(2)-SS-CH(2)-(NH(2))CH-CO-(Ala)(19)-Lys-H(+) consisting of a C-terminal protonated Lys followed by a 19-Ala α-helix with a 20th Ala-like unit whose side chain is linked by a disulfide bond to a corresponding Ala-like unit connected to a second 19-Ala α-helix terminated by a second C-terminal-protonated Lys. The Coulomb potentials arising from the two charged Lys residues and dipole potentials arising from the two oppositely directed 72 D dipoles of the α-helices act to stabilize the SS bond's σ* orbital. The Coulomb potentials provide stabilization of 1 eV, while the two large dipoles generate an additional 4 eV. Such stabilization allows the SS σ* orbital to attach an electron and thereby generate disulfide bond cleavage products. Although calculations are performed only on SS bond cleavage, discussion of N-C(α) bond cleavage caused by electron attachment to amide π* orbitals is also presented. The magnitudes of the stabilization energies as well as the fact that they arise from Coulomb and dipole potentials are supported by results on a small model system consisting of a H(3)C-SS-CH(3) molecule with positive and negative fractional point charges to its left and right designed to represent (i) two positive charges ca. 32 Å distant (i.e., the two charged Lys sites of the peptide model) and (ii) two 72 D dipoles (i.e., the two α-helices). Earlier workers suggested that internal dipole forces in polypeptides could act to guide incoming free electrons (i.e., in electron capture dissociation (ECD)) toward the positive end of the dipole and thus affect the branching ratios for cleaving various bonds. Those workers argued that, because of the huge mass difference between an anion donor and a free electron, internal dipole forces would have a far smaller influence over the trajectory of a donor (i.e., in electron transfer dissociation

  14. The influence of long-range links on spiral waves and their application for control

    International Nuclear Information System (INIS)

    Qian Yu

    2012-01-01

    The influence of long-range links on spiral waves in an excitable medium has been investigated. Spatiotemporal dynamics in an excitable small-world network transform remarkably when we increase the long-range connection probability P. Spiral waves with few perturbations, broken spiral waves, pseudo spiral turbulence, synchronous oscillations, and homogeneous rest state are discovered under different network structures. Tip number is selected to detect non-equilibrium phase transition between different spatiotemporal patterns. The Kuramoto order parameter is used to identify these patterns and explain the emergence of the rest state. Finally, we use long-range links to successfully control spiral waves and spiral turbulence. (interdisciplinary physics and related areas of science and technology)

  15. Long-Range Coulomb Effect in Intense Laser-Driven Photoelectron Dynamics.

    Science.gov (United States)

    Quan, Wei; Hao, XiaoLei; Chen, YongJu; Yu, ShaoGang; Xu, SongPo; Wang, YanLan; Sun, RenPing; Lai, XuanYang; Wu, ChengYin; Gong, QiHuang; He, XianTu; Liu, XiaoJun; Chen, Jing

    2016-06-03

    In strong field atomic physics community, long-range Coulomb interaction has for a long time been overlooked and its significant role in intense laser-driven photoelectron dynamics eluded experimental observations. Here we report an experimental investigation of the effect of long-range Coulomb potential on the dynamics of near-zero-momentum photoelectrons produced in photo-ionization process of noble gas atoms in intense midinfrared laser pulses. By exploring the dependence of photoelectron distributions near zero momentum on laser intensity and wavelength, we unambiguously demonstrate that the long-range tail of the Coulomb potential (i.e., up to several hundreds atomic units) plays an important role in determining the photoelectron dynamics after the pulse ends.

  16. Density of states and magnetotransport in Weyl semimetals with long-range disorder

    Science.gov (United States)

    Pesin, D. A.; Mishchenko, E. G.; Levchenko, A.

    2015-11-01

    We study the density of states and magnetotransport properties of disordered Weyl semimetals, focusing on the case of a strong long-range disorder. To calculate the disorder-averaged density of states close to nodal points, we treat exactly the long-range random potential fluctuations produced by charged impurities, while the short-range component of disorder potential is included systematically and controllably with the help of a diagram technique. We find that, for energies close to the degeneracy point, long-range potential fluctuations lead to a finite density of states. In the context of transport, we discuss that a self-consistent theory of screening in magnetic field may conceivably lead to nonmonotonic low-field magnetoresistance.

  17. Testing Long-Range Beam-Beam Compensation for the LHC Luminosity Upgrade

    CERN Document Server

    Rijoff, T L

    2012-01-01

    The performance of the Large Hadron Collider (LHC) at CERN and its minimum crossing angle are limited by the effect of long-range beam-beam collisions. A wire compensators can mitigate part of the long-range effects and may allow for smaller crossing angles, or higher beam intensity. A prototype long-range wire compensator could be installed in the LHC by 2014/15. Since the originally reserved position for such a wire compensator is not available for this first step, we explore other possible options. Our investigations consider various longitudinal and transverse locations, different wire shapes, different optics configurations and several crossing angles between the two colliding beams. Simulations are carried out with the weak-strong code BBtrack. New postprocessing tools are introduced to analyse tune footprints and particle stability. In particular, a new method for the Lyapunov coefficient calculation is implemented. Submitted as "Tesi di laurea" at the University of Milano, 2012.

  18. Fractality Evidence and Long-Range Dependence on Capital Markets: a Hurst Exponent Evaluation

    Science.gov (United States)

    Oprean, Camelia; Tănăsescu, Cristina

    2014-07-01

    Since the existence of market memory could implicate the rejection of the efficient market hypothesis, the aim of this paper is to find any evidence that selected emergent capital markets (eight European and BRIC markets, namely Hungary, Romania, Estonia, Czech Republic, Brazil, Russia, India and China) evince long-range dependence or the random walk hypothesis. In this paper, the Hurst exponent as calculated by R/S fractal analysis and Detrended Fluctuation Analysis is our measure of long-range dependence in the series. The results reinforce our previous findings and suggest that if stock returns present long-range dependence, the random walk hypothesis is not valid anymore and neither is the market efficiency hypothesis.

  19. UTag: Long-range Ultra-wideband Passive Radio Frequency Tags

    Energy Technology Data Exchange (ETDEWEB)

    Dowla, F

    2007-03-14

    Long-range, ultra-wideband (UWB), passive radio frequency (RF) tags are key components in Radio Frequency IDentification (RFID) system that will revolutionize inventory control and tracking applications. Unlike conventional, battery-operated (active) RFID tags, LLNL's small UWB tags, called 'UTag', operate at long range (up to 20 meters) in harsh, cluttered environments. Because they are battery-less (that is, passive), they have practically infinite lifetimes without human intervention, and they are lower in cost to manufacture and maintain than active RFID tags. These robust, energy-efficient passive tags are remotely powered by UWB radio signals, which are much more difficult to detect, intercept, and jam than conventional narrowband frequencies. The features of long range, battery-less, and low cost give UTag significant advantage over other existing RFID tags.

  20. The topological long range order in QCD. Applications to heavy ion collisions and cosmology

    Directory of Open Access Journals (Sweden)

    Zhitnitsky Ariel R.

    2015-01-01

    Full Text Available We argue that the local violation of P invariance in heavy ion collisions is a consequence of the long range topological order which is inherent feature of strongly coupled QCD. A similar phenomenon is known to occur in some topologically ordered condensed matter systems with a gap. We also discuss possible cosmological applications of this long range order in strongly coupled gauge theories. In particular, we argue that the de Sitter behaviour might be dynamically generated as a result of the long range order. In this framework the inflaton is an auxiliary field which effectively describes the dynamics of topological sectors in a gauge theory in the expanding universe, rather than a new dynamical degree of freedom.

  1. Pulse radiolysis studies of intramolecular electron transfer in model peptides and proteins. 7. Trp -> TyrO radical transformation in hen egg-white lysozyme. Effects of pH, temperature, Trp62 oxidation and inhibitor binding

    DEFF Research Database (Denmark)

    Bobrowski, K.; Holcman, J.; Poznanski, J.

    1997-01-01

    Intramolecular long-range electron transfer (LRET) in hen egg-white lysozyme (HEWL) accompanying Trp --> TyrO radical transformation was investigated in aqueous solution by pulse radiolysis as a function of pH (5.2-7.4) and temperature (283-328K). The reaction was induced by highly selective...... below its denaturation temperature. Selective oxidation by ozone of the Trp62 indole side-chain in HEWL to N'-formylkynurenine (NFKyn62-HEWL) caused a large drop in the initial yield of Trp(.) radicals, G(Trp(.))(i). This was accompanied by a relatively small decrease in k(5) but selective oxidation...

  2. Role of coherence and delocalization in photo-induced electron transfer at organic interfaces

    Science.gov (United States)

    Abramavicius, V.; Pranculis, V.; Melianas, A.; Inganäs, O.; Gulbinas, V.; Abramavicius, D.

    2016-09-01

    Photo-induced charge transfer at molecular heterojunctions has gained particular interest due to the development of organic solar cells (OSC) based on blends of electron donating and accepting materials. While charge transfer between donor and acceptor molecules can be described by Marcus theory, additional carrier delocalization and coherent propagation might play the dominant role. Here, we describe ultrafast charge separation at the interface of a conjugated polymer and an aggregate of the fullerene derivative PCBM using the stochastic Schrödinger equation (SSE) and reveal the complex time evolution of electron transfer, mediated by electronic coherence and delocalization. By fitting the model to ultrafast charge separation experiments, we estimate the extent of electron delocalization and establish the transition from coherent electron propagation to incoherent hopping. Our results indicate that even a relatively weak coupling between PCBM molecules is sufficient to facilitate electron delocalization and efficient charge separation at organic interfaces.

  3. Photochemical reactions of electron-deficient olefins with N,N,N',N'-tetramethylbenzidine via photoinduced electron-transfer

    International Nuclear Information System (INIS)

    Pan Yang; Zhao Junshu; Ji Yuanyuan; Yan Lei; Yu Shuqin

    2006-01-01

    Photoinduced electron transfer reactions of several electron-deficient olefins with N,N,N',N'-tetramethylbenzidine (TMB) in acetonitrile solution have been studied by using laser flash photolysis technique and steady-state fluorescence quenching method. Laser pulse excitation of TMB yields 3 TMB* after rapid intersystem crossing from 1 TMB*. The triplet which located at 480 nm is found to undergo fast quenching with the electron acceptors fumaronitrile (FN), dimethyl fumarate (DMF), diethyl fumarate (DEF), cinnamonitrile (CN), α-acetoxyacrylonitrile (AAN), crotononitrile (CrN) and 3-methoxyacrylonitrile (MAN). Substituents binding to olefin molecule own different electron-donating/withdrawing powers, which determine the electron-deficient property (π-cloud density) of olefin molecule as well as control the electron transfer rate constant directly. The detection of ion radical intermediates in the photolysis reactions confirms the proposed electron transfer mechanism, as expected from thermodynamics. The quenching rate constants of triplet TMB by these olefins have been determined at 510 nm to avoid the disturbance of formed TMB cation radical around 475 nm. All the k q T values approach or reach to the diffusion-controlled limit. In addition, fluorescence quenching rate constants k q S have been also obtained by calculating with Stern-Volmer equation. A correlation between experimental electron transfer rate constants and free energy changes has been explained by Marcus theory of adiabatic outer-sphere electron transfer. Disharmonic k q values for CN and CrN in endergonic region may be the disturbance of exciplexs formation. e of exciplex formation

  4. Directing the path of light-induced electron transfer at a molecular fork using vibrational excitation

    Science.gov (United States)

    Delor, Milan; Archer, Stuart A.; Keane, Theo; Meijer, Anthony J. H. M.; Sazanovich, Igor V.; Greetham, Gregory M.; Towrie, Michael; Weinstein, Julia A.

    2017-11-01

    Ultrafast electron transfer in condensed-phase molecular systems is often strongly coupled to intramolecular vibrations that can promote, suppress and direct electronic processes. Recent experiments exploring this phenomenon proved that light-induced electron transfer can be strongly modulated by vibrational excitation, suggesting a new avenue for active control over molecular function. Here, we achieve the first example of such explicit vibrational control through judicious design of a Pt(II)-acetylide charge-transfer donor-bridge-acceptor-bridge-donor 'fork' system: asymmetric 13C isotopic labelling of one of the two -C≡C- bridges makes the two parallel and otherwise identical donor→acceptor electron-transfer pathways structurally distinct, enabling independent vibrational perturbation of either. Applying an ultrafast UVpump(excitation)-IRpump(perturbation)-IRprobe(monitoring) pulse sequence, we show that the pathway that is vibrationally perturbed during UV-induced electron transfer is dramatically slowed down compared to its unperturbed counterpart. One can thus choose the dominant electron transfer pathway. The findings deliver a new opportunity for precise perturbative control of electronic energy propagation in molecular devices.

  5. On discriminating between long-range dependence and changes in mean

    OpenAIRE

    Berkes, István; Horváth, Lajos; Kokoszka, Piotr; Shao, Qi-Man

    2006-01-01

    We develop a testing procedure for distinguishing between a long-range dependent time series and a weakly dependent time series with change-points in the mean. In the simplest case, under the null hypothesis the time series is weakly dependent with one change in mean at an unknown point, and under the alternative it is long-range dependent. We compute the CUSUM statistic Tn, which allows us to construct an estimator k̂ of a change-point. We then compute the statistic Tn,1 based on the observa...

  6. Long-range airplane study: The consumer looks at SST travel

    Science.gov (United States)

    Landes, K. H.; Matter, J. A.

    1980-01-01

    The attitudes of long-range air travelers toward several basic air travel decisions, were surveyed. Of interest were tradeoffs involving time versus comfort and time versus cost as they pertain to supersonic versus conventional wide-body aircraft on overseas routes. The market focused upon was the segment of air travelers most likely to make that type of tradeoff decision: those having flown overseas routes for business or personal reasons in the recent past. The information generated is intended to provide quantifiable insight into consumer demand for supersonic as compared to wide-body aircraft alternatives for long-range overseas air travel.

  7. Long-range research plan. FY 1987-FY 1991. Volume 3

    International Nuclear Information System (INIS)

    1986-08-01

    The Long-Range Research Plan (LRRP) was prepared by the Office of Nuclear Regulatory Research (RES) to assist the NRC in coordinating its long-range research planning with the short-range budget cycles. The LRRP lays out programmatic approaches for research to help resolve regulatory issues. The plan will be updated annually. It covers: operating reactor inspection, maintenance, and repair; equipment qualification; seismic research; reactor operations and risk; thermal-hydraulic transients; severe accidents; radiation protection and health effects; and waste management

  8. Long-Range Research Plan, FY 1986-FY 1990. Volume 2

    International Nuclear Information System (INIS)

    1985-08-01

    The Long-Range Research Plan (LRRP) was prepared by the Office of Nuclear Regulatory Research (RES) to assist the NRC in coordinating its long-range research planning with the short-range budget cycles. The LRRP lays out programmatic approaches for research to help resolve regulatory issues. The plan will be updated annually. It covers: operating reactor inspection, maintenance, and repair; equipment qualification; seismic research; reactor operations and risk; thermal-hydraulic transients; severe accidents; radiation protection and health effects; and waste management

  9. The 120° Ordered Phase of Triangular Lattice Antiferromagnetic Heisenberg Model with Long Range Couplings

    International Nuclear Information System (INIS)

    Zhan-Hai, Dong

    2009-01-01

    In order to look for the 120° order phase of triangular lattice Heisenberg antiferromagnet with long range couplings, the Hamiltonian is diagonalized with the Bogoliubov transformation within linear spin-wave approximation. It is found that when the long range spin couplings are taken into account, the transformation is valid only for certain regions in the spin coupling parameter space. These regions just correspond to the 120° (or Néel) ordered phase, which is very different from square lattice in terms of shape, size and topological property

  10. Long-range dependence in returns and volatility of Central European Stock Indices

    Czech Academy of Sciences Publication Activity Database

    Krištoufek, Ladislav

    2010-01-01

    Roč. 17, č. 27 (2010), s. 50-67 ISSN 1212-074X R&D Projects: GA ČR GD402/09/H045; GA ČR GA402/09/0965 Grant - others:GA UK(CZ) 5183/2010 Institutional research plan: CEZ:AV0Z10750506 Keywords : long-range dependence * bootstrapping * rescaled range analysis * rescaled variance analysis Subject RIV: AH - Economics http://library.utia.cas.cz/separaty/2010/E/kristoufek-long-range dependence in returns and volatility of central european stock indices bces.pdf

  11. Long-range correlations in PbPb collisions at 158 a *GeV

    CERN Document Server

    Alt, C; Baatar, B; Barna, D; Bartke, J; Betev, L; Bialkowska, H; Blume, C; Boimska, B; Botje, M; Bracinik, J; Bramm, R; Brun, R; Buncic, P; Cerny, V; Christakoglou, P; Chvala, O; Cramer, J G; Csato, P; Darmenov, N; Dimitrov, A; Dinkelaker, P; Eckardt, V; Farantatos, G; Flierl, D; Fodor, Z; Foka, P; Freund, P; Friese, V; Gal, J; Gazdzicki, M; Georgopoulos, G; Gladysz, E; Grebieszkow, K; Hegyi, S; Hohne, C; Kadija, K; Karev, A; Kliemant, M; Kniege, S; Kolesnikov, V I; Kollegger, T; Kornas, E; Korus, R; Kowalski, M; Kraus, I; Kreps, M; van Leeuwen, M; Levai, P; Litov, L; Lungwitz, B; Makariev, M; Malakhov, A I; Mateev, M; Mayes, B W; Melkumov, G L; Meurer, C; Mischke, A; Mitrovski, M; Molnar, J; Mrowczynski, S; Palla, G; Panagiotou, A D; Panayotov, D; Petridis, A; Pikna, M; Pinsky, L; Puhlhofer, F; Renfordt, R; Richard, A; Roland, C; Roland, G; Rybczynski, M; Rybicki, A; Sandoval, A; Schmitz, N; Seyboth, P; Sikler, F; Sitar, B; Skrzypczak, E; Stefanek, G; Stock, R; Strobele, H; Susa, T; Szentpetery, I; Sziklai, J; Trubnikov, V; Varga, D; Vassiliou, M; Veres, G l; Vesztergombi, G; Vranie, D; Wetzler, A; Wlodarczyk, Z; Yoo, l K; Zaranek, J; Zimanyi, J; Feofilov, G; Kolevatov, R; Kondratiev, V; Naumenko, P; Vechernin, V

    2005-01-01

    We present the 1st results of the event-by-event study of long-range correlations between event mean Pt and charged particle multiplicity using NA49 experimental data in two separated rapidity intervals in 158 A *Ge V Pb Pb collisions at the CERN SPS. Noticeable long range correlations are found. The most striking feature is the negative Prn correlation observed for the central PbPb collisions. Results are compared to the predictions of the HIJING event generator and of the String Fusion Model favoring a string fusion hypothesis.

  12. Electron Transfer in Flavodoxin-based Redox Maquettes

    NARCIS (Netherlands)

    Alagaratnam, S.

    2005-01-01

    Small redox proteins play the role of electron taxis in the cell, picking electrons up at one location and delivering them at another. While it is known that these reactions are the basis for the processes of energy generation by respiration and photosynthesis, the means by which these 'taxis'

  13. Application of Degenerately Doped Metal Oxides in the Study of Photoinduced Interfacial Electron Transfer.

    Science.gov (United States)

    Farnum, Byron H; Morseth, Zachary A; Brennaman, M Kyle; Papanikolas, John M; Meyer, Thomas J

    2015-06-18

    Degenerately doped In2O3:Sn semiconductor nanoparticles (nanoITO) have been used to study the photoinduced interfacial electron-transfer reactivity of surface-bound [Ru(II)(bpy)2(4,4'-(PO3H2)2-bpy)](2+) (RuP(2+)) molecules as a function of driving force over a range of 1.8 eV. The metallic properties of the ITO nanoparticles, present within an interconnected mesoporous film, allowed for the driving force to be tuned by controlling their Fermi level with an external bias while their optical transparency allowed for transient absorption spectroscopy to be used to monitor electron-transfer kinetics. Photoinduced electron transfer from excited-state -RuP(2+*) molecules to nanoITO was found to be dependent on applied bias and competitive with nonradiative energy transfer to nanoITO. Back electron transfer from nanoITO to oxidized -RuP(3+) was also dependent on the applied bias but without complication from inter- or intraparticle electron diffusion in the oxide nanoparticles. Analysis of the electron injection kinetics as a function of driving force using Marcus-Gerischer theory resulted in an experimental estimate of the reorganization energy for the excited-state -RuP(3+/2+*) redox couple of λ* = 0.83 eV and an electronic coupling matrix element, arising from electronic wave function overlap between the donor orbital in the molecule and the acceptor orbital(s) in the nanoITO electrode, of Hab = 20-45 cm(-1). Similar analysis of the back electron-transfer kinetics yielded λ = 0.56 eV for the ground-state -RuP(3+/2+) redox couple and Hab = 2-4 cm(-1). The use of these wide band gap, degenerately doped materials provides a unique experimental approach for investigating single-site electron transfer at the surface of oxide nanoparticles.

  14. Tunneling Nanotubes and Gap Junctions–Their Role in Long-Range Intercellular Communication during Development, Health, and Disease Conditions

    Directory of Open Access Journals (Sweden)

    Jennifer Ariazi

    2017-10-01

    Full Text Available Cell-to-cell communication is essential for the organization, coordination, and development of cellular networks and multi-cellular systems. Intercellular communication is mediated by soluble factors (including growth factors, neurotransmitters, and cytokines/chemokines, gap junctions, exosomes and recently described tunneling nanotubes (TNTs. It is unknown whether a combination of these communication mechanisms such as TNTs and gap junctions may be important, but further research is required. TNTs are long cytoplasmic bridges that enable long-range, directed communication between connected cells. The proposed functions of TNTs are diverse and not well understood but have been shown to include the cell-to-cell transfer of vesicles, organelles, electrical stimuli and small molecules. However, the exact role of TNTs and gap junctions for intercellular communication and their impact on disease is still uncertain and thus, the subject of much debate. The combined data from numerous laboratories indicate that some TNT mediate a long-range gap junctional communication to coordinate metabolism and signaling, in relation to infectious, genetic, metabolic, cancer, and age-related diseases. This review aims to describe the current knowledge, challenges and future perspectives to characterize and explore this new intercellular communication system and to design TNT-based therapeutic strategies.

  15. Hybrid graphene and graphitic carbon nitride nanocomposite: gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response.

    Science.gov (United States)

    Du, Aijun; Sanvito, Stefano; Li, Zhen; Wang, Dawei; Jiao, Yan; Liao, Ting; Sun, Qiao; Ng, Yun Hau; Zhu, Zhonghua; Amal, Rose; Smith, Sean C

    2012-03-07

    Opening up a band gap and finding a suitable substrate material are two big challenges for building graphene-based nanodevices. Using state-of-the-art hybrid density functional theory incorporating long-range dispersion corrections, we investigate the interface between optically active graphitic carbon nitride (g-C(3)N(4)) and electronically active graphene. We find an inhomogeneous planar substrate (g-C(3)N(4)) promotes electron-rich and hole-rich regions, i.e., forming a well-defined electron-hole puddle, on the supported graphene layer. The composite displays significant charge transfer from graphene to the g-C(3)N(4) substrate, which alters the electronic properties of both components. In particular, the strong electronic coupling at the graphene/g-C(3)N(4) interface opens a 70 meV gap in g-C(3)N(4)-supported graphene, a feature that can potentially allow overcoming the graphene's band gap hurdle in constructing field effect transistors. Additionally, the 2-D planar structure of g-C(3)N(4) is free of dangling bonds, providing an ideal substrate for graphene to sit on. Furthermore, when compared to a pure g-C(3)N(4) monolayer, the hybrid graphene/g-C(3)N(4) complex displays an enhanced optical absorption in the visible region, a promising feature for novel photovoltaic and photocatalytic applications. © 2012 American Chemical Society

  16. Bi-directional magnetic resonance based wireless power transfer for electronic devices

    International Nuclear Information System (INIS)

    Kar, Durga P.; Nayak, Praveen P.; Bhuyan, Satyanarayan; Mishra, Debasish

    2015-01-01

    In order to power or charge electronic devices wirelessly, a bi-directional wireless power transfer method has been proposed and experimentally investigated. In the proposed design, two receiving coils are used on both sides of a transmitting coil along its central axis to receive the power wirelessly from the generated magnetic fields through strongly coupled magnetic resonance. It has been observed experimentally that the maximum power transfer occurs at the operating resonant frequency for optimum electric load connected across the receiving coils on both side. The optimum wireless power transfer efficiency is 88% for the bi-directional power transfer technique compared 84% in the one side receiver system. By adopting the developed bi-directional power transfer method, two electronic devices can be powered up or charged simultaneously instead of a single device through usual one side receiver system without affecting the optimum power transfer efficiency

  17. Bi-directional magnetic resonance based wireless power transfer for electronic devices

    Energy Technology Data Exchange (ETDEWEB)

    Kar, Durga P.; Nayak, Praveen P.; Bhuyan, Satyanarayan; Mishra, Debasish [Department of Electronics and Instrumentation Engineering, Institute of Technical Education and Research, Siksha ‘O’ Anushandhan University, Bhubaneswar 751030 (India)

    2015-09-28

    In order to power or charge electronic devices wirelessly, a bi-directional wireless power transfer method has been proposed and experimentally investigated. In the proposed design, two receiving coils are used on both sides of a transmitting coil along its central axis to receive the power wirelessly from the generated magnetic fields through strongly coupled magnetic resonance. It has been observed experimentally that the maximum power transfer occurs at the operating resonant frequency for optimum electric load connected across the receiving coils on both side. The optimum wireless power transfer efficiency is 88% for the bi-directional power transfer technique compared 84% in the one side receiver system. By adopting the developed bi-directional power transfer method, two electronic devices can be powered up or charged simultaneously instead of a single device through usual one side receiver system without affecting the optimum power transfer efficiency.

  18. Electron transfer reactions of ruthenium(II) complexes with polyphenolic acids in micelles

    Energy Technology Data Exchange (ETDEWEB)

    Rajeswari, Angusamy [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India); Department of Chemistry, Fatima College, Madurai 625 018 (India); Ramdass, Arumugam [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India); Research Department of Chemistry, Aditanar College of Arts and Science, Tiruchendur 628 216 (India); Muthu Mareeswaran, Paulpandian [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India); Department of Industrial Chemistry, Alagappa University, Karaikudi 630 003 (India); Rajagopal, Seenivasan, E-mail: rajagopalseenivasan@yahoo.com [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India)

    2016-02-15

    The electron transfer in a microhetrogeneous system is a perfect mimic of biological electron transfer. The electron transfer between biologically important phenolic acids and ruthenium (II) complexes is systematically studied in the presence of anionic and cationic micelles. The photophysical properties of these ruthenium (II) complexes with anionic and cationic micelles and their binding abilities with these two type of micelles are also studies using absorption, emission and excited state lifetime spectral techniques. Pseudophase Ion Exchange (PIE) Model is applied to derive mechanism of electron transfer in two types of micelles. - Highlights: • Effect of microhetrogeneous system is studied using ruthenium (II) complexes and gallic acid is studied. • Pseudophase Ion exchange model is applied to derive the mechanism. • Binding constants are in the range of 10{sup 2}–10{sup 4} M{sup −1}.

  19. Fast electron transfer through a single molecule natively structured redox protein

    DEFF Research Database (Denmark)

    Della Pia, Eduardo Antonio; Chi, Qijin; Macdonald, J. Emyr

    2012-01-01

    The electron transfer properties of proteins are normally measured as molecularly averaged ensembles. Through these and related measurements, proteins are widely regarded as macroscopically insulating materials. Using scanning tunnelling microscopy (STM), we present new measurements of the conduc...

  20. Synthesis of 3-Alkenyl-1-azaanthraquinones via Diels-Alder and Electron Transfer Reactions

    Directory of Open Access Journals (Sweden)

    Patrice Vanelle

    2002-12-01

    Full Text Available A convenient route to 3-alkenyl-1-azaanthraquinones via a hetero Diels-Alder reaction between an azadiene and naphthoquinone, a free radical chlorination and an electron transfer reaction is reported.