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Sample records for charged coordination residues

  1. Residual dust charges in discharge afterglow

    International Nuclear Information System (INIS)

    Coueedel, L.; Mikikian, M.; Boufendi, L.; Samarian, A. A.

    2006-01-01

    An on-ground measurement of dust-particle residual charges in the afterglow of a dusty plasma was performed in a rf discharge. An upward thermophoretic force was used to balance the gravitational force. It was found that positively charged, negatively charged, and neutral dust particles coexisted for more than 1 min after the discharge was switched off. The mean residual charge for 200-nm-radius particles was measured. The dust particle mean charge is about -5e at a pressure of 1.2 mbar and about -3e at a pressure of 0.4 mbar

  2. A Soluble, Folded Protein without Charged Amino Acid Residues

    DEFF Research Database (Denmark)

    Højgaard, Casper; Kofoed, Christian; Espersen, Roall

    2016-01-01

    side chains can maintain solubility, stability, and function. As a model, we used a cellulose-binding domain from Cellulomonas fimi, which, among proteins of more than 100 amino acids, presently is the least charged in the Protein Data Bank, with a total of only four titratable residues. We find......Charges are considered an integral part of protein structure and function, enhancing solubility and providing specificity in molecular interactions. We wished to investigate whether charged amino acids are indeed required for protein biogenesis and whether a protein completely free of titratable...... that the protein shows a surprising resilience toward extremes of pH, demonstrating stability and function (cellulose binding) in the pH range from 2 to 11. To ask whether the four charged residues present were required for these properties of this protein, we altered them to nontitratable ones. Remarkably...

  3. Metals in proteins: correlation between the metal-ion type, coordination number and the amino-acid residues involved in the coordination.

    Science.gov (United States)

    Dokmanić, Ivan; Sikić, Mile; Tomić, Sanja

    2008-03-01

    Metal ions are constituents of many metalloproteins, in which they have either catalytic (metalloenzymes) or structural functions. In this work, the characteristics of various metals were studied (Cu, Zn, Mg, Mn, Fe, Co, Ni, Cd and Ca in proteins with known crystal structure) as well as the specificity of their environments. The analysis was performed on two data sets: the set of protein structures in the Protein Data Bank (PDB) determined with resolution metal ion and its electron donors and the latter was used to assess the preferred coordination numbers and common combinations of amino-acid residues in the neighbourhood of each metal. Although the metal ions considered predominantly had a valence of two, their preferred coordination number and the type of amino-acid residues that participate in the coordination differed significantly from one metal ion to the next. This study concentrates on finding the specificities of a metal-ion environment, namely the distribution of coordination numbers and the amino-acid residue types that frequently take part in coordination. Furthermore, the correlation between the coordination number and the occurrence of certain amino-acid residues (quartets and triplets) in a metal-ion coordination sphere was analysed. The results obtained are of particular value for the identification and modelling of metal-binding sites in protein structures derived by homology modelling. Knowledge of the geometry and characteristics of the metal-binding sites in metalloproteins of known function can help to more closely determine the biological activity of proteins of unknown function and to aid in design of proteins with specific affinity for certain metals.

  4. Hybrid optimal online-overnight charging coordination of plug-in electric vehicles in smart grid

    Science.gov (United States)

    Masoum, Mohammad A. S.; Nabavi, Seyed M. H.

    2016-10-01

    Optimal coordinated charging of plugged-in electric vehicles (PEVs) in smart grid (SG) can be beneficial for both consumers and utilities. This paper proposes a hybrid optimal online followed by overnight charging coordination of high and low priority PEVs using discrete particle swarm optimization (DPSO) that considers the benefits of both consumers and electric utilities. Objective functions are online minimization of total cost (associated with grid losses and energy generation) and overnight valley filling through minimization of the total load levels. The constraints include substation transformer loading, node voltage regulations and the requested final battery state of charge levels (SOCreq). The main challenge is optimal selection of the overnight starting time (toptimal-overnight,start) to guarantee charging of all vehicle batteries to the SOCreq levels before the requested plug-out times (treq) which is done by simultaneously solving the online and overnight objective functions. The online-overnight PEV coordination approach is implemented on a 449-node SG; results are compared for uncoordinated and coordinated battery charging as well as a modified strategy using cost minimizations for both online and overnight coordination. The impact of toptimal-overnight,start on performance of the proposed PEV coordination is investigated.

  5. Optimal Coordinated EV Charging with Reactive Power Support in Constrained Distribution Grids

    Energy Technology Data Exchange (ETDEWEB)

    Paudyal, Sumit; Ceylan, Oğuzhan; Bhattarai, Bishnu P.; Myers, Kurt S.

    2017-07-01

    Electric vehicle (EV) charging/discharging can take place in any P-Q quadrants, which means EVs could support reactive power to the grid while charging the battery. In controlled charging schemes, distribution system operator (DSO) coordinates with the charging of EV fleets to ensure grid’s operating constraints are not violated. In fact, this refers to DSO setting upper bounds on power limits for EV charging. In this work, we demonstrate that if EVs inject reactive power into the grid while charging, DSO could issue higher upper bounds on the active power limits for the EVs for the same set of grid constraints. We demonstrate the concept in an 33-node test feeder with 1,500 EVs. Case studies show that in constrained distribution grids in coordinated charging, average costs of EV charging could be reduced if the charging takes place in the fourth P-Q quadrant compared to charging with unity power factor.

  6. Two-Stage Electric Vehicle Charging Coordination in Low Voltage Distribution Grids

    DEFF Research Database (Denmark)

    Bhattarai, Bishnu Prasad; Bak-Jensen, Birgitte; Pillai, Jayakrishnan Radhakrishna

    2014-01-01

    ). Being a sizable rated element, electric vehicles (EVs) can offer a great deal of demand flexibility in future intelligent grids. This paper first investigates and analyzes driving pattern and charging requirements of EVs. Secondly, a two-stage charging algorithm, namely local adaptive control...... encompassed by a central coordinative control, is proposed to realize the flexibility offered by EV. The local control enables adaptive charging; whereas the central coordinative control prepares optimized charging schedules. Results from various scenarios show that the proposed algorithm enables significant......Increased environmental awareness in the recent years has encouraged rapid growth of renewable energy sources (RESs); especially solar PV and wind. One of the effective solutions to compensate intermittencies in generation from the RESs is to enable consumer participation in demand response (DR...

  7. Distributed Coordination of Electric Vehicle Charging in a Community Microgrid Considering Real-Time Price

    DEFF Research Database (Denmark)

    Li, Chendan; Schaltz, Erik; Quintero, Juan Carlos Vasquez

    2016-01-01

    The predictable increasing adoption of EV by residential users imposes the necessity of Electric Vehicle charging coordination, in order to charge effectively while minimizing the impact on the grid. In this paper, a two-stage distributed coordination algorithm for electric vehicle charging...... management in a community microgrid is proposed. Each local EV charging controller is taken as an agent, which can manage the charging to achieve the optimization of the whole community by communicating in a sparse network. The proposed algorithm aims at optimizing real-time, which manages the charging...

  8. Charge distributions in transverse coordinate space and in impact parameter space

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Dae Sung [Department of Physics, Sejong University, Seoul 143-747 (Korea, Republic of)], E-mail: dshwang@slac.stanford.edu; Kim, Dong Soo [Department of Physics, Kangnung National University, Kangnung 210-702 (Korea, Republic of); Kim, Jonghyun [Department of Physics, Sejong University, Seoul 143-747 (Korea, Republic of)

    2008-11-27

    We study the charge distributions of the valence quarks inside nucleon in the transverse coordinate space, which is conjugate to the transverse momentum space. We compare the results with the charge distributions in the impact parameter space.

  9. Charge distributions in transverse coordinate space and in impact parameter space

    OpenAIRE

    Hwang, Dae Sung; Kim, Dong Soo; Kim, Jonghyun

    2008-01-01

    We study the charge distributions of the valence quarks inside nucleon in the transverse coordinate space, which is conjugate to the transverse momentum space. We compare the results with the charge distributions in the impact parameter space.

  10. Functional Two-Dimensional Coordination Polymeric Layer as a Charge Barrier in Li–S Batteries

    KAUST Repository

    Huang, Jing-Kai

    2018-01-04

    Ultrathin two-dimensional (2D) polymeric layers are capable of separating gases and molecules based on the reported size exclusion mechanism. What is equally important but missing today is an exploration of the 2D layers with charge functionality, which enables applications using the charge exclusion principle. This work demonstrates a simple and scalable method of synthesizing a free-standing 2D coordination polymer Zn2(benzimidazolate)2(OH)2 at the air–water interface. The hydroxyl (−OH) groups are stoichiometrically coordinated and implement electrostatic charges in the 2D structures, providing powerful functionality as a charge barrier. Electrochemical performance of the Li–S battery shows that the Zn2(benzimidazolate)2(OH)2 coordination polymer layers efficiently mitigate the polysulfide shuttling effects and largely enhance the battery capacity and cycle performance. The synthesis of the proposed coordination polymeric layers is simple, scalable, cost saving, and promising for practical use in batteries.

  11. Improved Interaction Potentials for Charged Residues in Proteins

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2008-01-01

    Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self-consistent, exper......Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self......, TIP4P or TIP3P; i.e., each water model requires specific water-charged molecule interaction potentials. New models (models 1 and 3) are thus described for both water models. Uncertainties in relative free energies of charged residues are ~2 kcal/mol with the new parameters, due to variations in system...

  12. A Soluble, Folded Protein without Charged Amino Acid Residues

    DEFF Research Database (Denmark)

    Højgaard, Casper; Kofoed, Christian; Espersen, Roall

    2016-01-01

    Charges are considered an integral part of protein structure and function, enhancing solubility and providing specificity in molecular interactions. We wished to investigate whether charged amino acids are indeed required for protein biogenesis and whether a protein completely free of titratable...... side chains can maintain solubility, stability, and function. As a model, we used a cellulose-binding domain from Cellulomonas fimi, which, among proteins of more than 100 amino acids, presently is the least charged in the Protein Data Bank, with a total of only four titratable residues. We find...

  13. Summary report on first research coordination meeting on heavy charged-particle interaction data for radiotherapy

    International Nuclear Information System (INIS)

    Palmans, H.; Noy, R.C.

    2008-04-01

    A summary is given of the First Research Coordination Meeting on Heavy Charged-Particle Interaction Data for Radiotherapy. A programme to compile and evaluate charged-particle nuclear data for therapeutic applications was proposed. Detailed coordinated research proposals were also agreed. Technical discussions and the resulting work plan of the Coordinated Research Project are summarized, along with actions and deadlines. (author)

  14. A Study of Residual Image in Charged-Coupled Device

    Directory of Open Access Journals (Sweden)

    Ho Jin

    2005-12-01

    Full Text Available For an image sensor CCD, electrons can be trapped at the front-side Si-SiO_2 surface interface in a case of exceeding the full well by bright source. Residual images can be made by the electrons remaining in the interface. These residual images are seen in the front-side-illuminated CCDs especially. It is not easy to find a quantitative analysis for this phenomenon in the domestic reports, although it is able to contaminate observation data. In this study, we find residual images in dark frames which were obtained from the front-side-illuminated CCD at Mt. Lemmon Optical Astronomy Observatory (LOAO, and analyze the effect to contaminated observation data by residual charges.

  15. Renewable Energy for Electric Vehicles : Price Based Charging Coordination

    NARCIS (Netherlands)

    Richstein, J.C.; Schuller, A.; Dinther, C.; Ketter, W.; Weinhardt, C.

    2012-01-01

    In this paper we investigate the charging coordination of battery electric vehicles (BEV) with respect to the availability of intermittent renewable energy generation considering individual real world driving profiles in a deterministic simulation based analysis, mapping a part of the German power

  16. Extraction of potential energy in charge asymmetry coordinate from experimental fission data

    Energy Technology Data Exchange (ETDEWEB)

    Pasca, H. [Joint Institute for Nuclear Research, Dubna (Russian Federation); ' ' Babes-Bolyai' ' Univ., Cluj-Napoca (Romania); Andreev, A.V.; Adamian, G.G. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Antonenko, N.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Tomsk Polytechnic Univ. (Russian Federation). Mathematical Physics Dept.

    2016-12-15

    For fissioning isotopes of Ra, Ac, Th, Pa, and U, the potential energies as a function of the charge asymmetry coordinate are extracted from the experimental charge distributions of the fission fragment and compared with the calculated scission-point driving potentials. The role of the potential energy surfaces in the description of the fission charge distribution is discussed. (orig.)

  17. Coordinated Control of PV Generation and EVs Charging Based on Improved DECell Algorithm

    Directory of Open Access Journals (Sweden)

    Guo Zhao

    2015-01-01

    Full Text Available Recently, the coordination of EVs’ charging and renewable energy has become a hot research all around the globe. Considering the requirements of EV owner and the influence of the PV output fluctuation on the power grid, a three-objective optimization model was established by controlling the EVs charging power during charging process. By integrating the meshing method into differential evolution cellular (DECell genetic algorithm, an improved differential evolution cellular (IDECell genetic algorithm was presented to solve the multiobjective optimization model. Compared to the NSGA-II and DECell, the IDECell algorithm showed better performance in the convergence and uniform distribution. Furthermore, the IDECell algorithm was applied to obtain the Pareto front of nondominated solutions. Followed by the normalized sorting of the nondominated solutions, the optimal solution was chosen to arrive at the optimized coordinated control strategy of PV generation and EVs charging. Compared to typical charging pattern, the optimized charging pattern could reduce the fluctuations of PV generation output power, satisfy the demand of EVs charging quantity, and save the total charging cost.

  18. Coordinate determination of high energy charged particles by silicon strip detectors

    International Nuclear Information System (INIS)

    Anokhin, I.E.; Zinets, O.S.

    2002-01-01

    The coordinate determination accuracy of minimum ionizing and short-range particles by silicon strip detectors has been considered. The charge collection on neighboring strips of the detector is studied and the influence of diffusion and the electric field distribution on the accuracy of the coordinate determination is analyzed. It has been shown that coordinates of both minimum ionizing and short-range particles can be determined with accuracy to a few microns using silicon strip detectors. 11 refs.; 8 figs

  19. Residue-based Coordinated Selection and Parameter Design of Multiple Power System Stabilizers (PSSs)

    DEFF Research Database (Denmark)

    Su, Chi; Hu, Weihao; Fang, Jiakun

    2013-01-01

    data from time domain simulations. Then a coordinated approach for multiple PSS selection and parameter design based on residue method is proposed and realized in MATLAB m-files. Particle swarm optimization (PSO) is adopted in the coordination process. The IEEE 39-bus New England system model...

  20. Heteronuclear 2D (1H-13C) MAS NMR Resolves the Electronic Structure of Coordinated Histidines in Light-Harvesting Complex II: Assessment of Charge Transfer and Electronic Delocalization Effect

    International Nuclear Information System (INIS)

    Matysik, Joerg; Boer, Ido de; Gast, Peter; Gorkom, Hans J. van; Groot, Huub J.M. de

    2004-01-01

    In a recent MAS NMR study, two types of histidine residues in the light-harvesting complex II (LH2) of Rhodopseudomonas acidophila were resolved: Type 1 (neutral) and Type 2 (positively charged) (Alia et al. J. Am. Chem. Soc.). The isotropic 13 C shifts of histidines coordinating to B850 BChl a are similar to fully positively charged histidine, while the 15 N shift anisotropy shows a predominantly neutral character. In addition the possibility that the ring currents are quenched by overlap in the superstructure of the complete ring of 18 B850 molecules in the LH2 complex could not be excluded. In the present work, by using two-dimensional heteronuclear ( 1 H- 13 C) dipolar correlation spectroscopy with phase-modulated Lee-Goldburg homonuclear 1 H decoupling applied during the t 1 period, a clear and unambiguous assignment of the protons of histidine interacting with the magnesium of a BChl a molecule is obtained and a significant ring current effect from B850 on the coordinating histidine is resolved. Using the ring current shift on 1 H, we refine the 13 C chemical shift assignment of the coordinating histidine and clearly distinguish the electronic structure of coordinating histidines from that of fully positively charged histidine. The DFT calculations corroborate that the coordinating histidines carry ∼0.2 electronic equivalent of positive charge in LH2. In addition, the data indicate that the ground state electronic structures of individual BChl a/His complexes is largely independent of supermolecular π interactions in the assembly of 18 B850 ring in LH2

  1. Evolutionary conservativeness of electric field in the Cu,Zn superoxide dismutase active site. Evidence for co-ordinated mutation of charged amino acid residues.

    Science.gov (United States)

    Desideri, A; Falconi, M; Polticelli, F; Bolognesi, M; Djinovic, K; Rotilio, G

    1992-01-05

    Equipotential lines were calculated, using the Poisson-Boltzmann equation, for six Cu,Zn superoxide dismutases with different protein electric charge and various degrees of sequence homology, namely those from ox, pig, sheep, yeast, and the isoenzymes A and B from the amphibian Xenopus laevis. The three-dimensional structures of the porcine and ovine superoxide dismutases were obtained by molecular modelling reconstruction using the structure of the highly homologous bovine enzyme as a template. The three-dimensional structure of the evolutionary distant yeast Cu,Zn superoxide dismutase was recently resolved by us, while computer-modelled structures are available for X. laevis isoenzymes. The six proteins display large differences in the net protein charge and distribution of electrically charged surface residues but the trend of the equipotential lines in the proximity of the active sites was found to be constant in all cases. These results are in line with the very similar catlytic rate constants experimentally measured for the corresponding enzyme activities. This analysis shows that electrostatic guidance for the enzyme-substrate interaction in Cu,Zn superoxide dismutases is related to a spatial distribution of charges, arranged so as to maintain, in the area surrounding the active sites, an identical electrostatic potential distribution, which is conserved in the evolution of this protein family.

  2. Optimal Coordinated Management of a Plug-In Electric Vehicle Charging Station under a Flexible Penalty Contract for Voltage Security

    Directory of Open Access Journals (Sweden)

    Jip Kim

    2016-07-01

    Full Text Available The increasing penetration of plug-in electric vehicles (PEVs may cause a low-voltage problem in the distribution network. In particular, the introduction of charging stations where multiple PEVs are simultaneously charged at the same bus can aggravate the low-voltage problem. Unlike a distribution network operator (DNO who has the overall responsibility for stable and reliable network operation, a charging station operator (CSO may schedule PEV charging without consideration for the resulting severe voltage drop. Therefore, there is a need for the DNO to impose a coordination measure to induce the CSO to adjust its charging schedule to help mitigate the voltage problem. Although the current time-of-use (TOU tariff is an indirect coordination measure that can motivate the CSO to shift its charging demand to off-peak time by imposing a high rate at the peak time, it is limited by its rigidity in that the network voltage condition cannot be flexibly reflected in the tariff. Therefore, a flexible penalty contract (FPC for voltage security to be used as a direct coordination measure is proposed. In addition, the optimal coordinated management is formulated. Using the Pacific Gas and Electric Company (PG&E 69-bus test distribution network, the effectiveness of the coordination was verified by comparison with the current TOU tariff.

  3. Combining Market-Based Control with Distribution Grid Constraints when Coordinating Electric Vehicle Charging

    Directory of Open Access Journals (Sweden)

    Geert Deconinck

    2015-12-01

    Full Text Available The charging of electric vehicles (EVs impacts the distribution grid, and its cost depends on the price of electricity when charging. An aggregator that is responsible for a large fleet of EVs can use a market-based control algorithm to coordinate the charging of these vehicles, in order to minimize the costs. In such an optimization, the operational parameters of the distribution grid, to which the EVs are connected, are not considered. This can lead to violations of the technical constraints of the grid (e.g., under-voltage, phase unbalances; for example, because many vehicles start charging simultaneously when the price is low. An optimization that simultaneously takes the economic and technical aspects into account is complex, because it has to combine time-driven control at the market level with event-driven control at the operational level. Different case studies investigate under which circumstances the market-based control, which coordinates EV charging, conflicts with the operational constraints of the distribution grid. Especially in weak grids, phase unbalance and voltage issues arise with a high share of EVs. A low-level voltage droop controller at the charging point of the EV can be used to avoid many grid constraint violations, by reducing the charge power if the local voltage is too low. While this action implies a deviation from the cost-optimal operating point, it is shown that this has a very limited impact on the business case of an aggregator, and is able to comply with the technical distribution grid constraints, even in weak distribution grids with many EVs.

  4. Manipulation of charged residues within the two-peptide lantibiotic lacticin 3147

    NARCIS (Netherlands)

    Deegan, Lucy H.; Suda, Srinivas; Lawton, Elaine M.; Draper, Lorraine A.; Hugenholtz, Floor; Peschel, Andreas; Hill, Colin; Cotter, Paul D.; Ross, R. Paul

    2010-01-01

    Lantibiotics are antimicrobial peptides which contain a high percentage of post-translationally modified residues. While most attention has been paid to the role of these critical structural features, evidence continues to emerge that charged amino acids also play a key role in these peptides. Here

  5. Selective effects of charge on G protein activation by FSH-receptor residues 551-555 and 650-653.

    Science.gov (United States)

    Grasso, P; Deziel, M R; Reichert, L E

    1995-01-01

    Two cytosolic regions of the rat testicular FSH receptor (FSHR), residues 533-555 and 645-653, have been identified as G protein-coupling domains. We localized the activity in these domains to their C-terminal sequences, residues 551-555 (KIAKR, net charge +3) and 650-653 (RKSH, net charge +3), and examined the effects of charge on G protein activation by the C-terminal peptides, using synthetic analogs containing additions, through alanine (A) linkages, of arginine (R, +), histidine (H, +) or both. RA-KIAKR (net charge +4) mimicked the effect of FSHR-(551-555) on guanine nucleotide exchange in rat testis membranes, but reduced its ability to inhibit FSH-stimulated estradiol biosynthesis in cultured rat Sertoli cells. Further increasing net charge by the addition of H (HARA-KIAKR, net charge +5) increased guanosine 5'-triphosphate (GTP) binding, but eliminated FSHR-(551-555) effects on FSH-stimulated steroidogenesis. HA-RKSH (net charge +4) significantly inhibited guanine nucleotide exchange in rat testis membranes, but stimulated basal and potentiated FSH-induced estradiol biosynthesis in cultured rat Sertoli cells. Addition of two H residues (HAHA-RKSH, net charge +5) restored GTP binding and further potentiated basal and FSH-stimulated steroidogenesis. These results suggest that positive charges in G protein-coupling domains of the FSHR play a role in modulating G protein activation and postbinding effects of FSH, such as steroidogenesis.

  6. A study of the influence of charged residues on β-hairpin formation by nuclear magnetic resonance and molecular dynamics.

    Science.gov (United States)

    Makowska, Joanna; Zmudzińska, Wioletta; Uber, Dorota; Chmurzyński, Lech

    2014-12-01

    Chain reversals are often nucleation sites in protein folding. The β-hairpins of FBP28 WW domain and IgG are stable and have been proved to initiate the folding and are, therefore, suitable for studying the influence of charged residues on β-hairpin conformation. In this paper, we carried out NMR examination of the conformations in solution of two fragments from the FPB28 protein (PDB code: 1E0L) (N-terminal part) namely KTADGKT-NH2 (1E0L 12-18, D7) and YKTADGKTY-NH2 (1E0L 11-19, D9), one from the B3 domain of the protein G (PDB code: 1IGD), namely DDATKT-NH2 (1IGD 51-56) (Dag1), and three variants of Dag1 peptide: DVATKT-NH2 (Dag2), OVATKT-NH2 (Dag3) and KVATKT-NH2 (Dag4), respectively, in which the original charged residue were replaced with non-polar residues or modified charged residues. It was found that both the D7 and D9 peptides form a large fraction bent conformations. However, no hydrophobic contacts between the terminal Tyr residues of D9 occur, which suggests that the presence of a pair of like-charged residues stabilizes chain reversal. Conversely, only the Dag1 and Dag2 peptides exhibit some chain reversal; replacing the second aspartic-acid residue with a valine and the first one with a basic residue results in a nearly extended conformation. These results suggest that basic residues farther away in sequence can result in stabilization of chain reversal owing to screening of the non-polar core. Conversely, smaller distance in sequence prohibits this screening, while the presence oppositely-charged residues can stabilize a turn because of salt-bridge formation.

  7. Coordinate asymptotics of the (3→3) wave functions for a three charged particle system

    International Nuclear Information System (INIS)

    Merkur'ev, S.P.

    1977-01-01

    Coordinate asymptotics of the (3 → 3) wave functions for three particles system with Coulomb interaction in the scattering problem is plotted. (3 → 3) and (3 → 2) process cases are considered, when the particles are not connected at the initial state. For coordinate asymptotics plotting the basis functions are used which meet Schroedinger equation in the eikonal approximation. The wave functions coordinate asymptotics plotting method is described far from special directions. Wave function asymptotical form is studied in the range of special directions and (3 → 3) scattering amplitude singularities are described. All data are given in accordance with the system with 2 charged particles only. The model in question is of special interest because of the described ppn system the studying of which is of great importance in nuclear physics. Final formulae are discussed for the most general case of three charged particles. Boundary problems for Schroedinger equation are shown to give the only way of definition for the (3 → 3) wave functions. It is pointed out that in special directions wave function coordinate asymptotics is presented with accuracy that gives the possibility to set such a boundary problem

  8. Comparative study of residual stress by table of coordinates and X-ray diffraction in a welded joint

    International Nuclear Information System (INIS)

    Siqueira Filho, A.V.; Rolim, T.L.; Yadava, Y.P.; Ferreira, R.A.S.; Guimaraes, P.B.

    2010-01-01

    Residual stresses in a welded joint of naval steel ASTM AH-32 was measured either by the displacements of referenced points with a coordinated table (CT) or by x-ray diffraction (X-DR) after welding. For all tests, the welding was performed by a certified welder in the SMAW process, using an AWS E 7018 G3 electrode. Before welding, small holes evenly spaced were made in the specimens to be mapped on a coordinated table (CT). After labeling, the specimens were submitted to the welding process and new measurements by (CT) to evaluate the displacements produced by the tensions generated. In parallel, residual stress were measured by DR-X for validation of this new measurement methodology. (author)

  9. Functional Two-Dimensional Coordination Polymeric Layer as a Charge Barrier in Li–S Batteries

    KAUST Repository

    Huang, Jing-Kai; Li, Mengliu; Wan, Yi; Dey, Sukumar; Ostwal, Mayur; Zhang, Daliang; Yang, Chih-Wen; Su, Chun-Jen; Jeng, U-Ser; Ming, Jun; Amassian, Aram; Lai, Zhiping; Han, Yu; Li, Sean; Li, Lain-Jong

    2018-01-01

    , which enables applications using the charge exclusion principle. This work demonstrates a simple and scalable method of synthesizing a free-standing 2D coordination polymer Zn2(benzimidazolate)2(OH)2 at the air–water interface. The hydroxyl (−OH) groups

  10. Coordinate-sensitive charged particle detector for spectroscopy

    Directory of Open Access Journals (Sweden)

    Sidorenko V. P.

    2016-10-01

    Full Text Available The authors have designed, manufactured and tested a coordinate-sensitive detector for charged particle spectroscopy. The detector can be used in the devices for the elemental analysis of materials, providing simultaneous analysis of all the elemental composition with high sensitivity and precision. The designed device is based on an integrated circuit (IC and a microchannel plate (MCP electron multiplier. The IC is mounted on a ceramic substrate. Ions fall on the MCP mounted above the IC. Giving rise to a pulse which typically exceeds 106 electrons, each ion falls on the detector electrodes and these pulses are counted. In this research, a two stage stack of MCPs (Hamamatsu was used. The MCPs have a channel diameter of 12 μm on a 15 μm pitch. The results of tests carried out in a mass spectrometer are presented. The designed detector is small, light, and low-power.

  11. Role of long- and short-range hydrophobic, hydrophilic and charged residues contact network in protein’s structural organization

    Directory of Open Access Journals (Sweden)

    Sengupta Dhriti

    2012-06-01

    Full Text Available Abstract Background The three-dimensional structure of a protein can be described as a graph where nodes represent residues and the strength of non-covalent interactions between them are edges. These protein contact networks can be separated into long and short-range interactions networks depending on the positions of amino acids in primary structure. Long-range interactions play a distinct role in determining the tertiary structure of a protein while short-range interactions could largely contribute to the secondary structure formations. In addition, physico chemical properties and the linear arrangement of amino acids of the primary structure of a protein determines its three dimensional structure. Here, we present an extensive analysis of protein contact subnetworks based on the London van der Waals interactions of amino acids at different length scales. We further subdivided those networks in hydrophobic, hydrophilic and charged residues networks and have tried to correlate their influence in the overall topology and organization of a protein. Results The largest connected component (LCC of long (LRN-, short (SRN- and all-range (ARN networks within proteins exhibit a transition behaviour when plotted against different interaction strengths of edges among amino acid nodes. While short-range networks having chain like structures exhibit highly cooperative transition; long- and all-range networks, which are more similar to each other, have non-chain like structures and show less cooperativity. Further, the hydrophobic residues subnetworks in long- and all-range networks have similar transition behaviours with all residues all-range networks, but the hydrophilic and charged residues networks don’t. While the nature of transitions of LCC’s sizes is same in SRNs for thermophiles and mesophiles, there exists a clear difference in LRNs. The presence of larger size of interconnected long-range interactions in thermophiles than mesophiles, even at

  12. Isoelectric Point, Electric Charge, and Nomenclature of the Acid-Base Residues of Proteins

    Science.gov (United States)

    Maldonado, Andres A.; Ribeiro, Joao M.; Sillero, Antonio

    2010-01-01

    The main object of this work is to present the pedagogical usefulness of the theoretical methods, developed in this laboratory, for the determination of the isoelectric point (pI) and the net electric charge of proteins together with some comments on the naming of the acid-base residues of proteins. (Contains 8 figures and 4 tables.)

  13. Charge conserving current deposition scheme for PIC simulations in modified spherical coordinates

    Science.gov (United States)

    Cruz, F.; Grismayer, T.; Fonseca, R. A.; Silva, L. O.

    2017-10-01

    Global models of pulsar magnetospheres have been actively pursued in recent years. Both macro and microscopic (PIC) descriptions have been used, showing that collective processes of e-e + plasmas dominate the global structure of pulsar magnetospheres. Since these systems are best described in spherical coordinates, the algorithms used in cartesian simulations must be generalized. A problem of particular interest is that of charge conservation in PIC simulations. The complex geometry and irregular grids used to improve the efficiency of these algorithms represent major challenges in the design of a charge conserving scheme. Here we present a new first-order current deposition scheme for a 2D axisymmetric, log-spaced radial grid, that rigorously conserves charge. We benchmark this scheme in different scenarios, by integrating it with a spherical Yee scheme and Boris/Vay pushers. The results show that charge is conserved to machine precision, making it unnecessary to correct the electric field to guarantee charge conservation. This scheme will be particularly important for future studies aiming to bridge the microscopic physical processes of e-e + plasma generation due to QED cascades, its self-consistent acceleration and radiative losses to the global dynamics of pulsar magnetospheres. Work supported by the European Research Council (InPairs ERC-2015-AdG 695088), FCT (Portugal) Grant PD/BD/114307/2016, and the Calouste Gulbenkian Foundation through the 2016 Scientific Research Stimulus Program.

  14. Substantial conformational change mediated by charge-triad residues of the death effector domain in protein-protein interactions.

    Directory of Open Access Journals (Sweden)

    Edward C Twomey

    Full Text Available Protein conformational changes are commonly associated with the formation of protein complexes. The non-catalytic death effector domains (DEDs mediate protein-protein interactions in a variety of cellular processes, including apoptosis, proliferation and migration, and glucose metabolism. Here, using NMR residual dipolar coupling (RDC data, we report a conformational change in the DED of the phosphoprotein enriched in astrocytes, 15 kDa (PEA-15 protein in the complex with a mitogen-activated protein (MAP kinase, extracellular regulated kinase 2 (ERK2, which is essential in regulating ERK2 cellular distribution and function in cell proliferation and migration. The most significant conformational change in PEA-15 happens at helices α2, α3, and α4, which also possess the highest flexibility among the six-helix bundle of the DED. This crucial conformational change is modulated by the D/E-RxDL charge-triad motif, one of the prominent structural features of DEDs, together with a number of other electrostatic and hydrogen bonding interactions on the protein surface. Charge-triad motif promotes the optimal orientation of key residues and expands the binding interface to accommodate protein-protein interactions. However, the charge-triad residues are not directly involved in the binding interface between PEA-15 and ERK2.

  15. Spin currents of charged Dirac particles in rotating coordinates

    Science.gov (United States)

    Dayi, Ö. F.; Yunt, E.

    2018-03-01

    The semiclassical Boltzmann transport equation of charged, massive fermions in a rotating frame of reference, in the presence of external electromagnetic fields is solved in the relaxation time approach to establish the distribution function up to linear order in the electric field in rotating coordinates, centrifugal force and the derivatives. The spin and spin current densities are calculated by means of this distribution function at zero temperature up to the first order. It is shown that the nonequilibrium part of the distribution function yields the spin Hall effect for fermions constrained to move in a plane perpendicular to the angular velocity and magnetic field. Moreover it yields an analogue of Ohm's law for spin currents whose resistivity depends on the external magnetic field and the angular velocity of the rotating frame. Spin current densities in three-dimensional systems are also established.

  16. Electric vehicle charging algorithms for coordination of the grid and distribution transformer levels

    International Nuclear Information System (INIS)

    Ramos Muñoz, Edgar; Razeghi, Ghazal; Zhang, Li; Jabbari, Faryar

    2016-01-01

    The need to reduce greenhouse gas emissions and fossil fuel consumption has increased the popularity of plug-in electric vehicles. However, a large penetration of plug-in electric vehicles can pose challenges at the grid and local distribution levels. Various charging strategies have been proposed to address such challenges, often separately. In this paper, it is shown that, with uncoordinated charging, distribution transformers and the grid can operate under highly undesirable conditions. Next, several strategies that require modest communication efforts are proposed to mitigate the burden created by high concentrations of plug-in electric vehicles, at the grid and local levels. Existing transformer and battery electric vehicle characteristics are used along with the National Household Travel Survey to simulate various charging strategies. It is shown through the analysis of hot spot temperature and equivalent aging factor that the coordinated strategies proposed here reduce the chances of transformer failure with the addition of plug-in electric vehicle loads, even for an under-designed transformer while uncontrolled and uncoordinated plug-in electric vehicle charging results in increased risk of transformer failure. - Highlights: • Charging algorithm for battery electric vehicles, for high penetration levels. • Algorithm reduces transformer overloading, for grid level valley filling. • Computation and communication requirements are minimal. • The distributed algorithm is implemented without large scale iterations. • Hot spot temperature and loss of life for transformers are evaluated.

  17. Research on ISFLA-Based Optimal Control Strategy for the Coordinated Charging of EV Battery Swap Station

    Directory of Open Access Journals (Sweden)

    Xueliang Huang

    2013-01-01

    Full Text Available As an important component of the smart grid, electric vehicles (EVs could be a good measure against energy shortages and environmental pollution. A main way of energy supply to EVs is to swap battery from the swap station. Based on the characteristics of EV battery swap station, the coordinated charging optimal control strategy is investigated to smooth the load fluctuation. Shuffled frog leaping algorithm (SFLA is an optimization method inspired by the memetic evolution of a group of frogs when seeking food. An improved shuffled frog leaping algorithm (ISFLA with the reflecting method to deal with the boundary constraint is proposed to obtain the solution of the optimal control strategy for coordinated charging. Based on the daily load of a certain area, the numerical simulations including the comparison of PSO and ISFLA are carried out and the results show that the presented ISFLA can effectively lower the peak-valley difference and smooth the load profile with the faster convergence rate and higher convergence precision.

  18. Surface charge compensation for a highly charged ion emission microscope

    International Nuclear Information System (INIS)

    McDonald, J.W.; Hamza, A.V.; Newman, M.W.; Holder, J.P.; Schneider, D.H.G.; Schenkel, T.

    2003-01-01

    A surface charge compensation electron flood gun has been added to the Lawrence Livermore National Laboratory (LLNL) highly charged ion (HCI) emission microscope. HCI surface interaction results in a significant charge residue being left on the surface of insulators and semiconductors. This residual charge causes undesirable aberrations in the microscope images and a reduction of the Time-Of-Flight (TOF) mass resolution when studying the surfaces of insulators and semiconductors. The benefits and problems associated with HCI microscopy and recent results of the electron flood gun enhanced HCI microscope are discussed

  19. Identification of coevolving residues and coevolution potentials emphasizing structure, bond formation and catalytic coordination in protein evolution.

    Directory of Open Access Journals (Sweden)

    Daniel Y Little

    Full Text Available The structure and function of a protein is dependent on coordinated interactions between its residues. The selective pressures associated with a mutation at one site should therefore depend on the amino acid identity of interacting sites. Mutual information has previously been applied to multiple sequence alignments as a means of detecting coevolutionary interactions. Here, we introduce a refinement of the mutual information method that: 1 removes a significant, non-coevolutionary bias and 2 accounts for heteroscedasticity. Using a large, non-overlapping database of protein alignments, we demonstrate that predicted coevolving residue-pairs tend to lie in close physical proximity. We introduce coevolution potentials as a novel measure of the propensity for the 20 amino acids to pair amongst predicted coevolutionary interactions. Ionic, hydrogen, and disulfide bond-forming pairs exhibited the highest potentials. Finally, we demonstrate that pairs of catalytic residues have a significantly increased likelihood to be identified as coevolving. These correlations to distinct protein features verify the accuracy of our algorithm and are consistent with a model of coevolution in which selective pressures towards preserving residue interactions act to shape the mutational landscape of a protein by restricting the set of admissible neutral mutations.

  20. Statistical Characterization of the Charge State and Residue Dependence of Low-Energy CID Peptide Dissociation Patterns

    International Nuclear Information System (INIS)

    Huang, Yingying; Triscari, Joseph M.; Tseng, George C.; Pasa-Tolic, Ljiljana; Lipton, Mary S.; Smith, Richard D.; Wysocki, Vicki H.

    2005-01-01

    Data mining was performed on 28 330 unique peptide tandem mass spectra for which sequences were assigned with high confidence. By dividing the spectra into different sets based on structural features and charge states of the corresponding peptides, chemical interactions involved in promoting specific cleavage patterns in gas-phase peptides were characterized. Pairwise fragmentation maps describing cleavages at all Xxx-Zzz residue combinations for b and y ions reveal that the difference in basicity between Arg and Lys results in different dissociation patterns for singly charged Arg- and Lys-ending tryptic peptides. While one dominant protonation form (proton localized) exists for Arg-ending peptides, a heterogeneous population of different protonated forms or more facile interconversion of protonated forms (proton partially mobile) exists for Lys-ending peptides. Cleavage C-terminal to acidic residues dominates spectra from peptides that have a localized proton and cleavage N-terminal to Pro dominates those that have a mobile or partially mobile proton. When Pro is absent from peptides that have a mobile or partially mobile proton, cleavage at each peptide bond becomes much more prominent. Whether the above patterns can be found in b ions, y ions, or both depends on the location of the proton holder(s). Enhanced cleavages C-terminal to branched aliphatic residues (Ile, Val, Leu) are observed in both b and y ions from peptides that have a mobile proton, as well as in y ions from peptides that have a partially mobile proton; enhanced cleavages N-terminal to these residues are observed in b ions from peptides that have a partially mobile proton. Statistical tools have been designed to visualize the fragmentation maps and measure the similarity between them. The pairwise cleavage patterns observed expand our knowledge of peptide gas-phase fragmentation behaviors and should be useful in algorithm development that employs improved models to predict fragment ion

  1. Light-Induced Copper(II) Coordination by a Bicyclic Tetraaza Chelator through a Ligand-to-Metal Charge-Transfer Reaction

    DEFF Research Database (Denmark)

    Holm-Jørgensen, Jacob Rørdam; Jensen, Mikael; Bjerrum, Morten J.

    2011-01-01

    coordinated amine groups) at pH above 6. These findings are supported by pH titrations of mixtures of Cu2+ and [24.31]adz in water. Irradiation of this complex in the ligand-to-metal charge-transfer (LMCT) band by a diode-array spectrophotometer leads to photodeprotonation and subsequently to formation...

  2. Charge Effect on the Formation of Polyoxometalate-Based Supramolecular Polygons Driven by Metal Coordination.

    Science.gov (United States)

    Piot, Madeleine; Hupin, Sébastien; Lavanant, Hélène; Afonso, Carlos; Bouteiller, Laurent; Proust, Anna; Izzet, Guillaume

    2017-07-17

    The metal-driven self-assembly of a Keggin-based hybrid bearing two remote pyridine units was investigated. The resulting supramolecular species were identified by combination of 2D diffusion NMR spectroscopy (DOSY) and electrospray ionization mass spectrometry (ESI-MS) as a mixture of molecular triangles and squares. This behavior is different from that of the structural analogue Dawson-based hybrid displaying a higher charge, which only led to the formation of molecular triangles. This study highlights the decisive effect of the charge of the POMs in their self-assembly processes that disfavors the formation of large assemblies. An isothermal titration calorimetry (ITC) experiment confirmed the stronger binding in the case of the Keggin hybrids. A correlation between the diffusion coefficient D and the molecular mass M of the POM-based building block and its coordination oligomers was also observed. We show that the diffusion coefficient of these compounds is mainly determined by their occupied volume rather than by their shape.

  3. First research co-ordination meeting on development of reference charged particle cross section data base for medical radioisotope production. Summary report

    International Nuclear Information System (INIS)

    Oblozinsky, P.

    1996-03-01

    The present report contains the summary of the First Research Co-ordination Meeting on ''Development of Reference Charged Particle Cross Section Data Base for Medical Radioisotope Production'', held at the IAEA Headquarters, Vienna, from 15 to 17 November 1995. The project focuses on monitor reactions and production reactions for gamma emitters and positron emitters induced with light charged particles of incident energies up to about 100 MeV. Summarized are technical discussions and the resulting work plan of the Coordinated Research Programme, including actions and deadlines. Attached are an information sheet on the project, the agenda and a list of participants of the meeting. Also attached is brief information on the adjacent Consultant's Meeting on ''Automated Synthesis Systems for the Cyclotron Production of 18 F and 123 I and their Labeled Radiopharmaceuticals''. (author)

  4. Report on second FAO/IAEA research coordination meeting on radiotracer studies of fungicide residues in food plants - Neuherberg, Germany, F.R., 4-8 May 1987

    International Nuclear Information System (INIS)

    1987-01-01

    In 1984, the FAO/IAEA Joint Division established the coordinated research programme on 'Radiotracer studies of fungicide residues in food plants'. The first FAO/IAEA research coordination meeting of the programme was held in Panama City, Panama in October 1985. It established a framework for experiments by the participating researchers to investigate metabolism and terminal residues of ethylenebisdithiocarbamates in food plants using 14 C-labelled materials with associated and other techniques. In this second report, progress made since the first report is presented and the further research needed to fulfill the objectives of the programme is outlined. The objectives of the meeting were as follows: To review progress within the coordinated research programme; To discuss problems pertinent to methodologies and labelled substrates; To prepare a report and recommendations with particular reference to future needs and priorities. The 12 papers presented at the meeting are given in summary form. (orig./MG)

  5. Coevolving residues of (beta/alpha)(8)-barrel proteins play roles in stabilizing active site architecture and coordinating protein dynamics.

    Science.gov (United States)

    Shen, Hongbo; Xu, Feng; Hu, Hairong; Wang, Feifei; Wu, Qi; Huang, Qiang; Wang, Honghai

    2008-12-01

    Indole-3-glycerol phosphate synthase (IGPS) is a representative of (beta/alpha)(8)-barrel proteins-the most common enzyme fold in nature. To better understand how the constituent amino-acids work together to define the structure and to facilitate the function, we investigated the evolutionary and dynamical coupling of IGPS residues by combining statistical coupling analysis (SCA) and molecular dynamics (MD) simulations. The coevolving residues identified by the SCA were found to form a network which encloses the active site completely. The MD simulations showed that these coevolving residues are involved in the correlated and anti-correlated motions. The correlated residues are within van der Waals contact and appear to maintain the active site architecture; the anti-correlated residues are mainly distributed on opposite sides of the catalytic cavity and coordinate the motions likely required for the substrate entry and product release. Our findings might have broad implications for proteins with the highly conserved (betaalpha)(8)-barrel in assessing the roles of amino-acids that are moderately conserved and not directly involved in the active site of the (beta/alpha)(8)-barrel. The results of this study could also provide useful information for further exploring the specific residue motions for the catalysis and protein design based on the (beta/alpha)(8)-barrel scaffold.

  6. 2nd (final) IAEA research co-ordination meeting on 'charge exchange cross section data for fusion plasma studies'. Summary report

    International Nuclear Information System (INIS)

    Clark, R.E.H.

    2001-11-01

    The proceedings and conclusions of the 2nd Research Co-ordination Meeting on 'Charge Exchange Cross Section Data for Fusion Plasma Studies', held on September 25 and 26, 2000 at the IAEA Headquarters in Vienna, are briefly described. This report includes a summary of the presentations made by the meeting participants and a review of the accomplishments of the Co-ordinated Research Project (CRP). In addition, short summaries from the participants are included indicating the specific research completed in support of this CRP. (author)

  7. Interactions between charged residues in the transmembrane segments of the voltage-sensing domain in the hERG channel.

    Science.gov (United States)

    Zhang, M; Liu, J; Jiang, M; Wu, D-M; Sonawane, K; Guy, H R; Tseng, G-N

    2005-10-01

    Studies on voltage-gated K channels such as Shaker have shown that positive charges in the voltage-sensor (S4) can form salt bridges with negative charges in the surrounding transmembrane segments in a state-dependent manner, and different charge pairings can stabilize the channels in closed or open states. The goal of this study is to identify such charge interactions in the hERG channel. This knowledge can provide constraints on the spatial relationship among transmembrane segments in the channel's voltage-sensing domain, which are necessary for modeling its structure. We first study the effects of reversing S4's positive charges on channel activation. Reversing positive charges at the outer (K525D) and inner (K538D) ends of S4 markedly accelerates hERG activation, whereas reversing the 4 positive charges in between either has no effect or slows activation. We then use the 'mutant cycle analysis' to test whether D456 (outer end of S2) and D411 (inner end of S1) can pair with K525 and K538, respectively. Other positive charges predicted to be able, or unable, to interact with D456 or D411 are also included in the analysis. The results are consistent with predictions based on the distribution of these charged residues, and confirm that there is functional coupling between D456 and K525 and between D411 and K538.

  8. 1st IAEA research co-ordination meeting on charge exchange cross section data for fusion plasma studies. Summary report

    International Nuclear Information System (INIS)

    Janev, R.K.

    1999-02-01

    A brief description of the proceedings and the conclusions of the 1st Research Coordination Meeting on 'Charge Exchange Cross Section Data for Fusion Plasma Studies', held on September 24-25, 1999, at the IAEA Headquarters in Vienna, Austria, is provided. The conclusions of the Meeting regarding the data collection, assessment and generation priorities are also included in the report. (author)

  9. Hawking effect and quantum nonthermal radiation of an arbitrarily accelerating charged black hole using a new tortoise coordinate transformation

    International Nuclear Information System (INIS)

    Pan Wei-Zhen; Yang Xue-Jun; Xie Zhi-Kun

    2011-01-01

    Using a new tortoise coordinate transformation, this paper investigates the Hawking effect from an arbitrarily accelerating charged black hole by the improved Damour—Ruffini method. After the tortoise coordinate transformation, the Klein—Gordon equation can be written as the standard form at the event horizon. Then extending the outgoing wave from outside to inside of the horizon analytically, the surface gravity and Hawking temperature can be obtained automatically. It is found that the Hawking temperatures of different points on the surface are different. The quantum nonthermal radiation characteristics of a black hole near the event horizon is also discussed by studying the Hamilton—Jacobi equation in curved spacetime and the maximum overlap of the positive and negative energy levels near the event horizon is given. There is a dimensional problem in the standard tortoise coordinate and the present results may be more reasonable. (geophysics, astronomy, and astrophysics)

  10. Effect of injection energy on residual dose around the charge exchange foil

    Directory of Open Access Journals (Sweden)

    Kazami Yamamoto

    2012-12-01

    Full Text Available The rapid cycling synchrotron (RCS of Japan Proton Accelerator Research Complex (J-PARC and the accumulator ring (AR of Spallation Neutron Source (SNS can be used as high-power pulsed neutron sources. In both cases, the injection region becomes one of the highest activation areas in the ring. However, residual dose distributions have revealed that the highest activation points in the J-PARC RCS and the SNS AR are different in detail. The dose of the charge exchange chamber in the SNS is more than 100 times larger than that of the RCS though the ratio of beam power is less than 10. We investigated the reason of this difference by Geant4 and MARS, and the calculation results indicated that the difference was due to the dependence of the neutron and pion production rate on the injection energy.

  11. The conserved basic residues and the charged amino acid residues at the α-helix of the zinc finger motif regulate the nuclear transport activity of triple C2H2 zinc finger proteins

    Science.gov (United States)

    Lin, Chih-Ying

    2018-01-01

    Zinc finger (ZF) motifs on proteins are frequently recognized as a structure for DNA binding. Accumulated reports indicate that ZF motifs contain nuclear localization signal (NLS) to facilitate the transport of ZF proteins into nucleus. We investigated the critical factors that facilitate the nuclear transport of triple C2H2 ZF proteins. Three conserved basic residues (hot spots) were identified among the ZF sequences of triple C2H2 ZF proteins that reportedly have NLS function. Additional basic residues can be found on the α-helix of the ZFs. Using the ZF domain (ZFD) of Egr-1 as a template, various mutants were constructed and expressed in cells. The nuclear transport activity of various mutants was estimated by analyzing the proportion of protein localized in the nucleus. Mutation at any hot spot of the Egr-1 ZFs reduced the nuclear transport activity. Changes of the basic residues at the α-helical region of the second ZF (ZF2) of the Egr-1 ZFD abolished the NLS activity. However, this activity can be restored by substituting the acidic residues at the homologous positions of ZF1 or ZF3 with basic residues. The restored activity dropped again when the hot spots at ZF1 or the basic residues in the α-helix of ZF3 were mutated. The variations in nuclear transport activity are linked directly to the binding activity of the ZF proteins with importins. This study was extended to other triple C2H2 ZF proteins. SP1 and KLF families, similar to Egr-1, have charged amino acid residues at the second (α2) and the third (α3) positions of the α-helix. Replacing the amino acids at α2 and α3 with acidic residues reduced the NLS activity of the SP1 and KLF6 ZFD. The reduced activity can be restored by substituting the α3 with histidine at any SP1 and KLF6 ZFD. The results show again the interchangeable role of ZFs and charge residues in the α-helix in regulating the NLS activity of triple C2H2 ZF proteins. PMID:29381770

  12. Mutation of charged residues to neutral ones accelerates urea denaturation of HP-35.

    Science.gov (United States)

    Wei, Haiyan; Yang, Lijiang; Gao, Yi Qin

    2010-09-16

    Following the studies of urea denaturation of β-hairpins using molecular dynamics, in this paper, molecular dynamics simulations of two peptides, a 35 residue three helix bundle villin headpiece protein HP-35 and its doubly norleucine-substituent mutant (Lys24Nle/Lys29Nle) HP-35 NleNle, were undertaken in urea solutions to understand the molecular mechanism of urea denaturation of α-helices. The mutant HP-35 NleNle was found to denature more easily than the wild type. During the expansion of the small hydrophobic core, water penetration occurs first, followed by that of urea molecules. It was also found that the initial hydration of the peptide backbone is achieved through water hydrogen bonding with the backbone CO groups during the denaturation of both polypeptides. The mutation of the two charged lysine residues to apolar norleucine enhances the accumulation of urea near the hydrophobic core and facilitates the denaturation process. Urea also interacts directly with the peptide backbone as well as side chains, thereby stabilizing nonnative conformations. The mechanism revealed here is consistent with the previous study on secondary structure of β-hairpin polypeptide, GB1, PEPTIDE 1, and TRPZIP4, suggesting that there is a general mechanism in the denaturation of protein backbone hydrogen bonds by urea.

  13. Langevin description of fission fragment charge distribution from excited nuclei

    CERN Document Server

    Karpov, A V

    2002-01-01

    A stochastic approach to fission dynamics based on a set of three-dimensional Langevin equations was applied to calculate fission-fragment charge distribution of compound nucleus sup 2 sup 3 sup 6 U. The following collective coordinates have been chosen - elongation coordinate, neck-thickness coordinate, and charge-asymmetry coordinate. The friction coefficient of charge mode has been calculated in the framework of one-body and two-body dissipation mechanisms. Analysis of the results has shown that Langevin approach is appropriate for investigation of isobaric distribution. Moreover, the dependences of the variance of the charge distribution on excitation energy and on the two-body viscosity coefficient has been studied

  14. Development of Radiometric and Allied Analytical Methods and Strategies to Strengthen National Residue Control Programmes for Antibiotic and Anthelmintic Veterinary Drug Residues. Final Report of a Coordinated Research Project

    International Nuclear Information System (INIS)

    2016-08-01

    Awareness of food safety is rising among consumers, and many importing countries implement food control regulations to guarantee the quality and safety of imported foods for their consumers. Many developing countries have also taken steps to put in place control systems that encourage responsible use of veterinary medicines to combat possible drug resistance, control drug residues and ensure compliance with international and national standards. However, these countries still require the necessary know-how and skills to protect local consumers and to access international markets. One significant constraint is the capacity of laboratory services to generate surveillance data using reliable and cost effective analytical methods validated to national and international standards. The IAEA coordinated research project (CRP) on the Development of Radiometric and Allied Analytical Methods to Strengthen National Residue Control Programmes for Antibiotic and Anthelmintic Veterinary Drug Residues was initiated in 2009 to conduct work on robust nuclear and related technologies suitable for the screening and confirmatory analysis of residues of veterinary medicines, including antimicrobials and anthelmintics commonly used in animal production, with public health and trade significance. The CRP also explored mechanisms to enhance networking among research institutions involved in research on pharmacologically active veterinary drug residues in food (primarily) and environmental samples. The project was implemented by the Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture between 2009 and 2014 and involved eleven research contracts and one technical contract, five research agreements and one institution. The CRP was a continuation of the CRP on the Development of Strategies for the Effective Monitoring of Veterinary Drug Residues in Livestock and Livestock Products in Developing Countries and the key findings are also summarized in this publication.

  15. Summary Report of the First Research Coordination Meeting on Nuclear Data for Charged-Particle Monitor Reactions and Medical Isotope Production

    International Nuclear Information System (INIS)

    Nichols, Alan L.; Noy, Roberto Capote

    2013-02-01

    A summary is given of the first IAEA research coordination meeting on ''Nuclear Data for Charged-particle Monitor Reactions and Medical Isotope Production'. Participants reassessed and reviewed the requirements for both cross-section and decay data, based on the earlier findings of three IAEA consultants' meetings (High-precision beta-intensity measurements and evaluations for specific PET radioisotopes, INDC(NDS)-0535, December 2008; Improvements in charged-particle monitor reactions and nuclear data for medical isotope production, INDC(NDS)-0591, September 2011; Intermediate-term nuclear data needs for medical applications: cross sections and decay data, INDC(NDS)-0596, September 2011). While significant emphasis was placed on the needs defined in IAEA report INDC(NDS)-0591, a limited number of relevant items and issues were also considered from the other two technical meetings. Recommendations focused on cross-section studies for a reasonably wide range of targets and projectiles, along with decay data measurements and evaluations for specific radionuclides. Individual presentations and discussions are described in this report, along with listings of the agreed work packages to be undertaken by the participants of the coordinated research project. (author)

  16. Second coordinate readout in drift chambers by charge division

    International Nuclear Information System (INIS)

    Radeka, V.; Rehak, P.

    1977-10-01

    The drift time measurement and the charge division can be performed simultaneously on the same electrode (resistive anode) without affecting the accuracy of either measurement. It is shown that for the shortest measurement time there is an optimum value for the anode wire resistance. The signal requirement for a position uncertainty sigma less than or equal to 0.5% of the anode wire length is only 2.7 x 10 6 electron charges. The drift chamber can be operated in the linear mode and with negligible space charge effects, so that it can also be used for ΔE/ΔX measurements. A simple preamplifier optimized for both the time and charge measurements using a monolithic transistor array is described

  17. Residue Phe112 of the Human-Type Corrinoid Adenosyltransferase (PduO) Enzyme of Lactobacillus reuteri Is Critical to the Formation of the Four-Coordinate Co(II) Corrinoid Substrate and to the Activity of the Enzyme

    Energy Technology Data Exchange (ETDEWEB)

    Mera, Paola E.; St. Maurice, Martin; Rayment, Ivan; Escalante-Semerena, Jorge C.; UW

    2009-06-08

    ATP:Corrinoid adenosyltransferases (ACAs) catalyze the transfer of the adenosyl moiety from ATP to cob(I)alamin via a four-coordinate cob(II)alamin intermediate. At present, it is unknown how ACAs promote the formation of the four-coordinate corrinoid species needed for activity. The published high-resolution crystal structure of the ACA from Lactobacillus reuteri (LrPduO) in complex with ATP and cob(II)alamin shows that the environment around the alpha face of the corrin ring consists of bulky hydrophobic residues. To understand how these residues promote the generation of the four-coordinate cob(II)alamin, variants of the human-type ACA enzyme from L. reuteri (LrPduO) were kinetically and structurally characterized. These studies revealed that residue Phe112 is critical in the displacement of 5,6-dimethylbenzimidazole (DMB) from its coordination bond with the Co ion of the ring, resulting in the formation of the four-coordinate species. An F112A substitution resulted in a 80% drop in the catalytic efficiency of the enzyme. The explanation for this loss of activity was obtained from the crystal structure of the mutant protein, which showed cob(II)alamin bound in the active site with DMB coordinated to the cobalt ion. The crystal structure of an LrPduO(F112H) variant showed a DMB-off/His-on interaction between the corrinoid and the enzyme, whose catalytic efficiency was 4 orders of magnitude lower than that of the wild-type protein. The analysis of the kinetic parameters of LrPduO(F112H) suggests that the F112H substitution negatively impacts product release. Substitutions of other hydrophobic residues in the Cbl binding pocket did not result in significant defects in catalytic efficiency in vitro; however, none of the variant enzymes analyzed in this work supported AdoCbl biosynthesis in vivo.

  18. Identification of Residues in the Lipopolysaccharide ABC Transporter That Coordinate ATPase Activity with Extractor Function.

    Science.gov (United States)

    Simpson, Brent W; Owens, Tristan W; Orabella, Matthew J; Davis, Rebecca M; May, Janine M; Trauger, Sunia A; Kahne, Daniel; Ruiz, Natividad

    2016-10-18

    cytoplasmic membrane prior to transport to the cell surface. How ATP hydrolysis is coupled with LPS release from the membrane is not understood. We have identified residues at the interface between the ATPase and the transmembrane domains of this heteromeric ABC complex that are important for LPS transport, some of which coordinate ATPase activity with LPS release. Copyright © 2016 Simpson et al.

  19. Electrostatic contribution of surface charge residues to the stability of a thermophilic protein: benchmarking experimental and predicted pKa values.

    Directory of Open Access Journals (Sweden)

    Chi-Ho Chan

    Full Text Available Optimization of the surface charges is a promising strategy for increasing thermostability of proteins. Electrostatic contribution of ionizable groups to the protein stability can be estimated from the differences between the pKa values in the folded and unfolded states of a protein. Using this pKa-shift approach, we experimentally measured the electrostatic contribution of all aspartate and glutamate residues to the stability of a thermophilic ribosomal protein L30e from Thermococcus celer. The pKa values in the unfolded state were found to be similar to model compound pKas. The pKa values in both the folded and unfolded states obtained at 298 and 333 K were similar, suggesting that electrostatic contribution of ionizable groups to the protein stability were insensitive to temperature changes. The experimental pKa values for the L30e protein in the folded state were used as a benchmark to test the robustness of pKa prediction by various computational methods such as H++, MCCE, MEAD, pKD, PropKa, and UHBD. Although the predicted pKa values were affected by crystal contacts that may alter the side-chain conformation of surface charged residues, most computational methods performed well, with correlation coefficients between experimental and calculated pKa values ranging from 0.49 to 0.91 (p<0.01. The changes in protein stability derived from the experimental pKa-shift approach correlate well (r = 0.81 with those obtained from stability measurements of charge-to-alanine substituted variants of the L30e protein. Our results demonstrate that the knowledge of the pKa values in the folded state provides sufficient rationale for the redesign of protein surface charges leading to improved protein stability.

  20. Cathodic hydrogen charging of zinc

    International Nuclear Information System (INIS)

    Panagopoulos, C.N.; Georgiou, E.P.; Chaliampalias, D.

    2014-01-01

    Highlights: •Incorporation of hydrogen into zinc and formation of zinc hydrides. •Investigation of surface residual stresses due to hydrogen diffusion. •Effect of hydrogen diffusion and hydride formation on mechanical properties of Zn. •Hydrogen embrittlement phenomena in zinc. -- Abstract: The effect of cathodic hydrogen charging on the structural and mechanical characteristics of zinc was investigated. Hardening of the surface layers of zinc, due to hydrogen incorporation and possible formation of ZnH 2 , was observed. In addition, the residual stresses brought about by the incorporation of hydrogen atoms into the metallic matrix, were calculated by analyzing the obtained X-ray diffraction patterns. Tensile testing of the as-received and hydrogen charged specimens revealed that the ductility of zinc decreased significantly with increasing hydrogen charging time, for a constant value of charging current density, and with increasing charging current density, for a constant value of charging time. However, the ultimate tensile strength of this material was slightly affected by the hydrogen charging procedure. The cathodically charged zinc exhibited brittle transgranular fracture at the surface layers and ductile intergranular fracture at the deeper layers of the material

  1. Coordinated research projects (CRP). Coordinated research project (CRP)

    International Nuclear Information System (INIS)

    Takagi, Hidekazu; Koike, Fumihiro; Nakamura, Nobuyuki

    2013-01-01

    In the present paper, the contribution of Japanese scientists in coordinated research projects on thermonuclear fusion. Representative subjects taken in seven projects are the precise computation of theoretical data on electron-molecule collisions in the peripheral plasma, the computation of spectroscopic data of multi-charged tungsten ions, the spectroscopic measurement of multi-charged tungsten ions using an ion trap device, the development of collisional-radiative model for plasmas including hydrogen and helium, the computational and theoretical studies on the behavior of tungsten and beryllium in the plasma-wall interaction, the study on the property of dusts generated in fusion devices. These subjects are those of most important issues in ITER. (author)

  2. Insulin fibrillation: The influence and coordination of Zn2+

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl; Sønderby, Pernille; Bang, Maria Blanner

    2017-01-01

    fibrils has been debated for some years. We have therefore investigated the influence and binding geometry of zinc in fibrillated insulin using extended X-ray absorption fine-structure and X-ray absorption near-edge structure spectroscopy. The results were validated with fibre diffraction, Transmission...... Electron Microscopy and Thioflavin T fluorescence measurements. It is well-known that Zn2+ ions coordinate and stabilize the hexameric forms of insulin. However, this study is the first to show that zinc indeed binds to the insulin fibrils. Furthermore, zinc influences the kinetics and the morphology...... of the fibrils. It also shows that zinc coordinates to histidine residues in an environment, which is similar to the coordination seen in the insulin R6 hexamers, where three histidine residues and a chloride ion is coordinating the zinc....

  3. Origin of 6-fold coordinated aluminum at (010-type pyrophyllite edges

    Directory of Open Access Journals (Sweden)

    M. Okumura

    2017-05-01

    Full Text Available To better understand the aqueous chemical reactivity of clay mineral edges we explored the relationships between hydration and the structure of (010-type edges of pyrophyllite. In particular, we used density functional theory and the quantum theory of atoms in molecules to evaluate the stability of 6-fold coordinated hydrated aluminum at the edge in terms of the electron density distribution. Geometrical optimization revealed an intra-edge hydrogen bond network between aluminol hydroxyls and water ligands completing the aluminum coordination shell. From the electron density isosurfaces one water ligand is not covalently bonded to aluminum. Bader charge analysis revealed that OH2 ligands have small negative charge. In addition, it is also found that the charge of the 6-fold coordinated aluminum is larger than one of the 5-fold aluminum. From these results, the charging of the OH2 ligands is interpreted as charge transfer originated from the formation of the hydrogen bond network and not from Al-OH2 interaction per se. This suggests that the weakly bound water ligand in question, and more generally 6-fold hydrated edge Al coordination, is stabilized primarily by the hydrogen bond network which in turn leads to weak ionic attraction to the aluminum center itself. The finding highlights the importance of cooperative effects between solvent structure and the coordination of metal cations exposed at clay mineral edges.

  4. Comparative study of residual stress by table of coordinates and X-ray diffraction in a welded joint; Estudo comparativo das tensoes residuais por mesa de coordenadas e DR-X numa junta soldada

    Energy Technology Data Exchange (ETDEWEB)

    Siqueira Filho, A.V.; Rolim, T.L.; Yadava, Y.P.; Ferreira, R.A.S., E-mail: anibal_siqueira@yahoo.com.b [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Engenharia Mecanica; Cardoso, F.I.B. [Universidade de Pernambuco (POLI/UPE), Recife, PE (Brazil); Guimaraes, P.B. [Instituto Federal de Educacao, Ciencia e Tecnologia de Pernambuco, Recife, PE (Brazil)

    2010-07-01

    Residual stresses in a welded joint of naval steel ASTM AH-32 was measured either by the displacements of referenced points with a coordinated table (CT) or by x-ray diffraction (X-DR) after welding. For all tests, the welding was performed by a certified welder in the SMAW process, using an AWS E 7018 G3 electrode. Before welding, small holes evenly spaced were made in the specimens to be mapped on a coordinated table (CT). After labeling, the specimens were submitted to the welding process and new measurements by (CT) to evaluate the displacements produced by the tensions generated. In parallel, residual stress were measured by DR-X for validation of this new measurement methodology. (author)

  5. Fuel gas production from animal and agricultural residues and biomass. Quarterly coordination meeting, December 11-12, 1978, Denver, Colorado. Second Quarterly progress report

    Energy Technology Data Exchange (ETDEWEB)

    Wise, D L; Ashare, E; Wentworth, R L

    1979-01-05

    The tenth quarterly coordination meeting of the methane production group of the Fuels from Biomass Systems Branch, US Department of Energy was held at Denver, Colorado, December 11-12, 1978. Progress reports were presented by the contractors and a site visit was made to the Solar Energy Research Institute, Golden, Colorado. A meeting agenda, a list of attendees, and progress are presented. Report titles are: pipeline fuel gas from an environmental feedlot; operation of a 50,000 gallon anaerobic digester at the Monroe State Dairy Farm near Monroe, Washington; anaerobic fermentation of livestock and crop residues; anaerobic fermentation of agricultural residues - potential for improvement and implementation; heat treatment of organics for increasing anaerobic biodegradability; and biological conversion of biomass to methane. (DC)

  6. Multipole structure and coordinate systems

    International Nuclear Information System (INIS)

    Burko, Lior M

    2007-01-01

    Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the lowest non-vanishing one.) This result is demonstrated for the case of two equal like electric charges. Specifically, an adapted coordinate system in which the potential is given by a monopole term only is explicitly found, the coefficients of all higher multipoles vanish identically. It is suggested that this result can be generalized to other potential problems, by making equal coordinate surfaces adapt to the potential problem's equipotential surfaces

  7. Skeletal maturation, fundamental motor skills and motor coordination in children 7-10 years.

    Science.gov (United States)

    Freitas, Duarte L; Lausen, Berthold; Maia, José António; Lefevre, Johan; Gouveia, Élvio Rúbio; Thomis, Martine; Antunes, António Manuel; Claessens, Albrecht L; Beunen, Gaston; Malina, Robert M

    2015-01-01

    Relationships between skeletal maturation and fundamental motor skills and gross motor coordination were evaluated in 429 children (213 boys and 216 girls) 7-10 years. Skeletal age was assessed (Tanner-Whitehouse 2 method), and stature, body mass, motor coordination (Körperkoordinations Test für Kinder, KTK) and fundamental motor skills (Test of Gross Motor Development, TGMD-2) were measured. Relationships among chronological age, skeletal age (expressed as the standardised residual of skeletal age on chronological age) and body size and fundamental motor skills and motor coordination were analysed with hierarchical multiple regression. Standardised residual of skeletal age on chronological age interacting with stature and body mass explained a maximum of 7.0% of the variance in fundamental motor skills and motor coordination over that attributed to body size per se. Standardised residual of skeletal age on chronological age alone accounted for a maximum of 9.0% of variance in fundamental motor skills, and motor coordination over that attributed to body size per se and interactions between standardised residual of skeletal age on chronological age and body size. In conclusion, skeletal age alone or interacting with body size has a negligible influence on fundamental motor skills and motor coordination in children 7-10 years.

  8. Distributed Coordination Control Based on State-of-Charge for Bidirectional Power Converters in a Hybrid AC/DC Microgrid

    Directory of Open Access Journals (Sweden)

    Zeyan Lv

    2018-04-01

    Full Text Available This paper proposes a distributed coordination control for multiple bidirectional power converters (BPCs in a hybrid AC/DC microgrid with consideration of state-of-charge (SOC of storages. The researched hybrid AC/DC microgrid is composed of both AC and DC subgrids connected by multiple parallel BPCs. In the literature, the storages of a hybrid microgrid are considered to allocate in only the AC subgrid or DC subgrid, which reduces the reliability of the whole system, especially during the islanded mode. Besides, the SOC management has not been considered in BPCs’ operating strategy. This paper considers a hybrid microgrid topology which has energy storages in both AC side and DC side. This ensures the reliability while increasing the complexity of the control strategy at the same time. Further, a distributed coordination control method for multiple BPCs based on SOC was proposed to enhance the reliability of hybrid microgrid. Finally, the performance of the proposed control methods was verified by real-time hardware-in-loop (HIL tests.

  9. Progress Report [2. Research Coordination Meeting on Heavy Charged-Particle Interaction Data for Radiotherapy

    International Nuclear Information System (INIS)

    Quesada, J.M.

    2010-01-01

    Full text: Geant4 is a general purpose toolkit for the simulation of the passage of particles through matter. Primary focus of Geant4 was on preparation of experiments for CERN Large Hadron Collider. Other areas of application are growing and include high energy, nuclear and accelerator physics, studies in hadronic therapy, tomography, space dosimetry, and others. Geant4 physics includes different models for simulation of interactions of hadrons with nuclei. For the simulation of reactions of interest in hadrontherapy, the Bertini-style cascade (BERT) and the binary cascade (BIC) models are available. Both of them include, as final stages after the kinetic cascade regime, sequential pre-equilibrium and de-excitation phases. Nevertheless, the high degree of accuracy required for practical applications needed for an overall improvement of the performance of the Geant4 hadronic models. In particular, our work has been concentrated in the pre-equilibrium and de-excitation models included in the binary cascade physics list. New physics has been included mainly through the implementation of more realistic inverse reaction cross sections for nucleons and light charged particles. An intensive bug-fixing effort has been made, which very much improved the description of charged particle emissions and fission. These achievements favoured the participation of Geant4 into the IAEA benchmark of spallation models. Low energy region of the benchmark (below 200 MeV) and some materials of interest are common to hadrontherapy (structural materials for shielding, collimators, etc.), which justifies its inclusion in the present brief report. For neutrons below 20 MeV, Geant4 High Precision parameterized model is recommended, although there is no direct access in Geant-4 to evaluated data in ENDF format; it uses some specific libraries which contain, in principle, the same type of information as the ENDF-6 format files, but they do not cover all presently evaluated nuclei and reactions

  10. Charge-transfer spectra of tetravalent lanthanide ions in oxides

    NARCIS (Netherlands)

    Hoefdraad, H.E.

    The charge-transfer spectra of Ce4+, Pr4+ and Tb4+ in a number of oxides are reported. It is noted that the position of the first charge-transfer band is fixed for the metal ion in an oxygen coordination of VI, but varies in VIII coordination as a function of the host lattice. It is argued that this

  11. Adverse Effects of Excess Residual PbI2 on Photovoltaic Performance, Charge Separation, and Trap-State Properties in Mesoporous Structured Perovskite Solar Cells.

    Science.gov (United States)

    Wang, Hao-Yi; Hao, Ming-Yang; Han, Jun; Yu, Man; Qin, Yujun; Zhang, Pu; Guo, Zhi-Xin; Ai, Xi-Cheng; Zhang, Jian-Ping

    2017-03-17

    Organic-inorganic halide perovskite solar cells have rapidly come to prominence in the photovoltaic field. In this context, CH 3 NH 3 PbI 3 , as the most widely adopted active layer, has been attracting great attention. Generally, in a CH 3 NH 3 PbI 3 layer, unreacted PbI 2 inevitably coexists with the perovskite crystals, especially following a two-step fabrication process. There appears to be a consensus that an appropriate amount of unreacted PbI 2 is beneficial to the overall photovoltaic performance of a device, the only disadvantageous aspect of excess residual PbI 2 being viewed as its insulating nature. However, the further development of such perovskite-based devices requires a deeper understanding of the role of residual PbI 2 . In this work, PbI 2 -enriched and PbI 2 -controlled perovskite films, as two extreme cases, have been prepared by modulating the crystallinity of a pre-deposited PbI 2 film. The effects of excess residual PbI 2 have been elucidated on the basis of spectroscopic and optoelectronic studies. The initial charge separation, the trap-state density, and the trap-state distribution have all been found to be adversely affected in PbI 2 -enriched devices, to the detriment of photovoltaic performance. This leads to a biphasic recombination process and accelerates the charge carrier recombination dynamics. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Management of crop residues for sustainable crop production. Results of a co-ordinated research project 1996-2001

    International Nuclear Information System (INIS)

    2003-05-01

    -wheat cropping systems co-ordinated by the Soil and Water Management and Crop Nutrition Section, where management of crop residues and fertilizer plays a major role in increasing crop yields

  13. Report on the first research co-ordination meeting of the co-ordinated research project: 'The development of strategies for the effective monitoring of veterinary drug residues in livestock and livestock products in developing countries' (D3.20.22)

    International Nuclear Information System (INIS)

    2002-01-01

    The first Research Co-ordination Meeting (RCM) of the Co-ordinated Research Project (CRP) on 'the development of strategies for the effective monitoring of veterinary drug residues in livestock and livestock products in developing countries' was held in the Vienna International Centre from 2 to 6 September 2002. Twelve Research Contracts (RCs) and 3 Research Agreements (RAs) have been awarded under this CRP and all awardees, the Project Officer and a guest speaker from the Austrian Agency for Health and Food Safety (AAHFS) participated in the RCM. The objective of the RCM was to plan the first phase of the CRP, initiation of the development and validation of methods. Specific objectives were to: Agree upon a small number of veterinary drugs upon which to focus the research; Agree upon analytical methodologies to be employed; formulate individual work plans for each research contract holder within the framework of the overall work plan. Each RC holder presented an overview of residues monitoring from the perspective of their respective countries. Emphasis was placed on problems encountered and future requirements. The participants visited the Austrian National Reference Laboratory for veterinary drug residues at Moedling and discussed the activities there with Mr. Kuhn and laboratory staff. An overall framework for phase of the CRP, focusing upon the compounds and analytical techniques of major importance to the majority of participants, was formulated. Each RC holder discussed and revised their individual work plan with the RA holders and the PO. The overall framework was then reviewed and a summary of the individual work plans presented. Conclusions and recommendations were drafted

  14. Agrochemicals and Residues Newsletter. No. 6

    International Nuclear Information System (INIS)

    1991-09-01

    This newsletter provides very brief summaries of the current coordinated research programs and of the completed coordinated research program on the study of the biological activity and bioavailability of bound pesticide residues using nuclear techniques (a more complete report will be published in the IAEA Panel Proceedings series). Research in progress at the Agrochemicals Unit of the IAEA Laboratory in Seibersdorf is also described

  15. Magnetic Coordinate Systems

    Science.gov (United States)

    Laundal, K. M.; Richmond, A. D.

    2017-03-01

    Geospace phenomena such as the aurora, plasma motion, ionospheric currents and associated magnetic field disturbances are highly organized by Earth's main magnetic field. This is due to the fact that the charged particles that comprise space plasma can move almost freely along magnetic field lines, but not across them. For this reason it is sensible to present such phenomena relative to Earth's magnetic field. A large variety of magnetic coordinate systems exist, designed for different purposes and regions, ranging from the magnetopause to the ionosphere. In this paper we review the most common magnetic coordinate systems and describe how they are defined, where they are used, and how to convert between them. The definitions are presented based on the spherical harmonic expansion coefficients of the International Geomagnetic Reference Field (IGRF) and, in some of the coordinate systems, the position of the Sun which we show how to calculate from the time and date. The most detailed coordinate systems take the full IGRF into account and define magnetic latitude and longitude such that they are constant along field lines. These coordinate systems, which are useful at ionospheric altitudes, are non-orthogonal. We show how to handle vectors and vector calculus in such coordinates, and discuss how systematic errors may appear if this is not done correctly.

  16. Geometric origin of central charges

    International Nuclear Information System (INIS)

    Lukierski, J.; Rytel, L.

    1981-05-01

    The complete set of N(N-1) central charge generators for D=4 N-extended super Poincare algebra is obtained by suitable contraction of OSp (2N; 4) superalgebra. The superspace realizations of the spinorial generators with central charges are derived. The conjugate set of N(N-1) additional bosonic superspace coordinates is introduced in an unique and geometric way. (author)

  17. Optimal decentralized valley-filling charging strategy for electric vehicles

    International Nuclear Information System (INIS)

    Zhang, Kangkang; Xu, Liangfei; Ouyang, Minggao; Wang, Hewu; Lu, Languang; Li, Jianqiu; Li, Zhe

    2014-01-01

    Highlights: • An implementable charging strategy is developed for electric vehicles connected to a grid. • A two-dimensional pricing scheme is proposed to coordinate charging behaviors. • The strategy effectively works in decentralized way but achieves the systematic valley filling. • The strategy allows device-level charging autonomy, and does not require a bidirectional communication/control network. • The strategy can self-correct when confronted with adverse factors. - Abstract: Uncoordinated charging load of electric vehicles (EVs) increases the peak load of the power grid, thereby increasing the cost of electricity generation. The valley-filling charging scenario offers a cheaper alternative. This study proposes a novel decentralized valley-filling charging strategy, in which a day-ahead pricing scheme is designed by solving a minimum-cost optimization problem. The pricing scheme can be broadcasted to EV owners, and the individual charging behaviors can be indirectly coordinated. EV owners respond to the pricing scheme by autonomously optimizing their individual charge patterns. This device-level response induces a valley-filling effect in the grid at the system level. The proposed strategy offers three advantages: coordination (by the valley-filling effect), practicality (no requirement for a bidirectional communication/control network between the grid and EV owners), and autonomy (user control of EV charge patterns). The proposed strategy is validated in simulations of typical scenarios in Beijing, China. According to the results, the strategy (1) effectively achieves the valley-filling charging effect at 28% less generation cost than the uncoordinated charging strategy, (2) is robust to several potential affecters of the valley-filling effect, such as (system-level) inaccurate parameter estimation and (device-level) response capability and willingness (which cause less than 2% deviation in the minimal generation cost), and (3) is compatible with

  18. Importance of Residues Outside the Cation Binding Pocket for Na+ and K+ Binding to the Na+/K+-ATPase

    DEFF Research Database (Denmark)

    Christiansen, Line; Toustrup-Jensen, Mads Schak; Einholm, Anja P.

    Mutagenesis studies have identified several oxygen-containing residues in the transmembrane region which are important for the coordination of Na+ and/or K+. These were later confirmed by the high-resolution crystal structures of the Na+/K+-ATPase with bound Na+ or K+. However, more information...... aromatic ring, while Arg882 and Asp886 were mutated to leucine and alanine, respectively, to investigate the importance of charge and size of the residues. All three mutants could sustain growth and proliferation under ouabain pressure. However, the mutants exhibited a reduced turnover number. All three...... mutants displayed an increased apparent K+ affinity at the external binding sites in measurements of ATPase activity: for Phe318Trp, Arg882Leu, and Asp886Ala 2.2-, 5.1-, and 1.8-fold increases compared to the wild type, respectively. Similarly the three mutants exhibited 10-, 6.4-, and 4.1-fold decreases...

  19. The electrostatics of charged insulating sheets peeled from grounded conductors

    International Nuclear Information System (INIS)

    Datta, M J; Horenstein, M N

    2008-01-01

    The physics of a charged, insulating sheet peeled from a ground-plane conductor is examined. Contact charging is ensured by charging a sheet to 10-12 kV with corona to establish intimate electrostatic contact with the underlying conductor. The surface potential is next forced to zero by sweeping the sheet with a stainless-steel brush, and the surface recharged to a new potential between 0 and 11 kV. The sheet is then peeled from the ground plane and its residual charge density is measured. Results show that the residual charge equals the breakdown-limiting value, but its polarity depends on the surface potential acquired just prior to peeling. The results have relevance to studies of industrial webs and insulating sheets.

  20. Destruction of Invariant Surfaces and Magnetic Coordinates for Perturbed Magnetic Fields

    International Nuclear Information System (INIS)

    Hudson, S.R.

    2003-01-01

    Straight-field-line coordinates are constructed for nearly integrable magnetic fields. The coordinates are based on the robust, noble-irrational rotational-transform surfaces, whose existence is determined by an application of Greene's residue criterion. A simple method to locate these surfaces is described. Sequences of surfaces with rotational-transform converging to low order rationals maximize the region of straight-field-line coordinates

  1. Quasi-Exact Coulomb Dynamics of n Charges n-1 of Which Are Equal

    Directory of Open Access Journals (Sweden)

    Wolodymyr Skrypnik

    2017-01-01

    Full Text Available For n≥3 point charges n-1 of which are negative and equal quasi-exact periodic solutions of their Coulomb equation of motion are found. These solutions describe a motion of the negative charges around a coordinate axis in such a way that their coordinates coincide with vertices of a regular polygon in planes perpendicular to the axis along which the positive charge moves. The Weinstein and center Lyapunov theorems are utilized.

  2. The effect of a direct current field on the microparticle charge in the plasma afterglow

    Energy Technology Data Exchange (ETDEWEB)

    Wörner, L. [Max Planck Institute for extraterrestrial Physics, P.O. Box 1312, Giessenbachstr., 85741 Garching (Germany); Groupe de Recherches sur l' Energétique des Milieux Ionisés, UMR7344, CNRS, Univ. Orléans, F-45067 Orléans (France); Ivlev, A. V.; Huber, P.; Hagl, T.; Thomas, H. M.; Morfill, G. E. [Max Planck Institute for extraterrestrial Physics, P.O. Box 1312, Giessenbachstr., 85741 Garching (Germany); Couëdel, L. [Centre National de la Recherche Scientifique, Aix-Marseille-Université, Laboiratoire de Physique des Intéractions Ioniques et Moléculaires, UMR 7345, 13397 Marseille cedex 20 (France); Schwabe, M. [Max Planck Institute for extraterrestrial Physics, P.O. Box 1312, Giessenbachstr., 85741 Garching (Germany); Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720 (United States); Mikikian, M.; Boufendi, L. [Groupe de Recherches sur l' Energétique des Milieux Ionisés, UMR7344, CNRS, Univ. Orléans, F-45067 Orléans (France); Skvortsov, A. [Yuri Gagarin Cosmonauts Training Center, RU-141160 Star City (Russian Federation); Lipaev, A. M.; Molotkov, V. I.; Petrov, O. F.; Fortov, V. E. [Joint Institute for High Temperatures, RU-125412 Moscow (Russian Federation)

    2013-12-15

    Residual charges of individual microparticles forming dense clouds were measured in a RF discharge afterglow. Experiments were performed under microgravity conditions on board the International Space Station, which ensured particle levitation inside the gas volume after the plasma switch-off. The distribution of residual charges as well as the spatial distribution of charged particles across the cloud were analyzed by applying a low-frequency voltage to the electrodes and measuring amplitudes of the resulting particle oscillations. Upon “free decharging” conditions, the charge distribution had a sharp peak at zero and was rather symmetric (with charges concentrated between −10e and +10e), yet positively and negatively charged particles were homogeneously distributed over the cloud. However, when decharging evolved in the presence of an external DC field (applied shortly before the plasma switch-off) practically all residual charges were positive. In this case, the overall charge distribution had a sharp peak at about +15e and was highly asymmetric, while the spatial distribution exhibited a significant charge gradient along the direction of the applied DC field.

  3. Sensing charges of the Ciona intestinalis voltage-sensing phosphatase.

    Science.gov (United States)

    Villalba-Galea, Carlos A; Frezza, Ludivine; Sandtner, Walter; Bezanilla, Francisco

    2013-11-01

    Voltage control over enzymatic activity in voltage-sensitive phosphatases (VSPs) is conferred by a voltage-sensing domain (VSD) located in the N terminus. These VSDs are constituted by four putative transmembrane segments (S1 to S4) resembling those found in voltage-gated ion channels. The putative fourth segment (S4) of the VSD contains positive residues that likely function as voltage-sensing elements. To study in detail how these residues sense the plasma membrane potential, we have focused on five arginines in the S4 segment of the Ciona intestinalis VSP (Ci-VSP). After implementing a histidine scan, here we show that four arginine-to-histidine mutants, namely R223H to R232H, mediate voltage-dependent proton translocation across the membrane, indicating that these residues transit through the hydrophobic core of Ci-VSP as a function of the membrane potential. These observations indicate that the charges carried by these residues are sensing charges. Furthermore, our results also show that the electrical field in VSPs is focused in a narrow hydrophobic region that separates the extracellular and intracellular space and constitutes the energy barrier for charge crossing.

  4. Threshold-Based Random Charging Scheme for Decentralized PEV Charging Operation in a Smart Grid.

    Science.gov (United States)

    Kwon, Ojin; Kim, Pilkee; Yoon, Yong-Jin

    2016-12-26

    Smart grids have been introduced to replace conventional power distribution systems without real time monitoring for accommodating the future market penetration of plug-in electric vehicles (PEVs). When a large number of PEVs require simultaneous battery charging, charging coordination techniques have become one of the most critical factors to optimize the PEV charging performance and the conventional distribution system. In this case, considerable computational complexity of a central controller and exchange of real time information among PEVs may occur. To alleviate these problems, a novel threshold-based random charging (TBRC) operation for a decentralized charging system is proposed. Using PEV charging thresholds and random access rates, the PEVs themselves can participate in the charging requests. As PEVs with a high battery state do not transmit the charging requests to the central controller, the complexity of the central controller decreases due to the reduction of the charging requests. In addition, both the charging threshold and the random access rate are statistically calculated based on the average of supply power of the PEV charging system that do not require a real time update. By using the proposed TBRC with a tolerable PEV charging degradation, a 51% reduction of the PEV charging requests is achieved.

  5. Two-dimensional coordination polymer matrix for solid-phase extraction of pesticide residues from plant Cordia salicifolia.

    Science.gov (United States)

    de Carvalho, Pedro Henrique Viana; Barreto, Alysson Santos; Rodrigues, Marcelo O; Prata, Vanessa de Menezes; Alves, Péricles Barreto; de Mesquita, Maria Eliane; Alves, Severino; Navickiene, Sandro

    2009-06-01

    The 2D coordination polymer (infinity[Gd(DPA)(HDPA)]) was tested for extraction of acephate, chlorpropham, pirimicarb, bifenthrin, tetradifon, and phosalone from the medicinal plant Cordia salicifolia, whose extracts are commercialized in Brazil as diuretic, appetite suppressant, and weight loss products, using GC/MS, SIM. Considering that there are no Brazilian regulations concerning maximum permissible pesticide residue concentrations in medicinal herbs, recovery experiments were carried out (seven replicates), at two arbitrary fortification levels (0.5 and 1.0 mg/kg), resulting in recoveries in range of 20 to 107.7% and SDRSDs were between 5.6 and 29.1% for infinity[Gd(DPA)(HDPA)] sorbent. Detection and quantification limits for herb ranged from 0.10 to 0.15 mg/kg and from 0.15 to 0.25 mg/kg, respectively, for the different pesticides studied. The developed method is linear over the range assayed, 0.5-10.0 microg/mL, with correlation coefficients ranging from 0.9975 to 0.9986 for all pesticides. Comparison between infinity[Gd(DPA)(HDPA)] sorbent and conventional sorbent (neutral alumina) showed similar performance of infinity[Gd(DPA)(HDPA)] polymeric sorbent for three (bifenthrin, tetradifon, and phosalone) out of six pesticides tested.

  6. CAB-Align: A Flexible Protein Structure Alignment Method Based on the Residue-Residue Contact Area.

    Directory of Open Access Journals (Sweden)

    Genki Terashi

    Full Text Available Proteins are flexible, and this flexibility has an essential functional role. Flexibility can be observed in loop regions, rearrangements between secondary structure elements, and conformational changes between entire domains. However, most protein structure alignment methods treat protein structures as rigid bodies. Thus, these methods fail to identify the equivalences of residue pairs in regions with flexibility. In this study, we considered that the evolutionary relationship between proteins corresponds directly to the residue-residue physical contacts rather than the three-dimensional (3D coordinates of proteins. Thus, we developed a new protein structure alignment method, contact area-based alignment (CAB-align, which uses the residue-residue contact area to identify regions of similarity. The main purpose of CAB-align is to identify homologous relationships at the residue level between related protein structures. The CAB-align procedure comprises two main steps: First, a rigid-body alignment method based on local and global 3D structure superposition is employed to generate a sufficient number of initial alignments. Then, iterative dynamic programming is executed to find the optimal alignment. We evaluated the performance and advantages of CAB-align based on four main points: (1 agreement with the gold standard alignment, (2 alignment quality based on an evolutionary relationship without 3D coordinate superposition, (3 consistency of the multiple alignments, and (4 classification agreement with the gold standard classification. Comparisons of CAB-align with other state-of-the-art protein structure alignment methods (TM-align, FATCAT, and DaliLite using our benchmark dataset showed that CAB-align performed robustly in obtaining high-quality alignments and generating consistent multiple alignments with high coverage and accuracy rates, and it performed extremely well when discriminating between homologous and nonhomologous pairs of proteins

  7. CAB-Align: A Flexible Protein Structure Alignment Method Based on the Residue-Residue Contact Area.

    Science.gov (United States)

    Terashi, Genki; Takeda-Shitaka, Mayuko

    2015-01-01

    Proteins are flexible, and this flexibility has an essential functional role. Flexibility can be observed in loop regions, rearrangements between secondary structure elements, and conformational changes between entire domains. However, most protein structure alignment methods treat protein structures as rigid bodies. Thus, these methods fail to identify the equivalences of residue pairs in regions with flexibility. In this study, we considered that the evolutionary relationship between proteins corresponds directly to the residue-residue physical contacts rather than the three-dimensional (3D) coordinates of proteins. Thus, we developed a new protein structure alignment method, contact area-based alignment (CAB-align), which uses the residue-residue contact area to identify regions of similarity. The main purpose of CAB-align is to identify homologous relationships at the residue level between related protein structures. The CAB-align procedure comprises two main steps: First, a rigid-body alignment method based on local and global 3D structure superposition is employed to generate a sufficient number of initial alignments. Then, iterative dynamic programming is executed to find the optimal alignment. We evaluated the performance and advantages of CAB-align based on four main points: (1) agreement with the gold standard alignment, (2) alignment quality based on an evolutionary relationship without 3D coordinate superposition, (3) consistency of the multiple alignments, and (4) classification agreement with the gold standard classification. Comparisons of CAB-align with other state-of-the-art protein structure alignment methods (TM-align, FATCAT, and DaliLite) using our benchmark dataset showed that CAB-align performed robustly in obtaining high-quality alignments and generating consistent multiple alignments with high coverage and accuracy rates, and it performed extremely well when discriminating between homologous and nonhomologous pairs of proteins in both

  8. Charge-changing transitions in an extended Lipkin-type model

    International Nuclear Information System (INIS)

    Mihut, I.; Stoica, S.; Suhonen, J.

    1997-01-01

    Charge-changing transition are considered in an extended Lipkin-Meshkov-Glick (LMG) model taking into account explicitly the proton and neutron degrees of freedom. The proton and neutron Hamiltonians are taken to be of the LMG form and in addition, a residual proton-neutron interaction is included. Model charge-changing operators and their action on eigenfunctions of the model Hamiltonian are defined. Transition amplitudes of these operators are calculated using exact eigenfunctions and then the RPA approximation. The best agreement between the two kinds of calculations was obtained when the correlated RPA ground state, instead of the uncorrelated HF ground state, is employed and when the proton-neutron residual interaction besides the proton-proton and neutron-neutron residual interactions is taken into account in the model Hamiltonian

  9. Electromagnetic radiation damping of charges in external gravitational fields (weak field, slow motion approximation). [Harmonic coordinates, weak field slow-motion approximation, Green function

    Energy Technology Data Exchange (ETDEWEB)

    Rudolph, E [Max-Planck-Institut fuer Physik und Astrophysik, Muenchen (F.R. Germany)

    1975-01-01

    As a model for gravitational radiation damping of a planet the electromagnetic radiation damping of an extended charged body moving in an external gravitational field is calculated in harmonic coordinates using a weak field, slowing-motion approximation. Special attention is paid to the case where this gravitational field is a weak Schwarzschild field. Using Green's function methods for this purpose it is shown that in a slow-motion approximation there is a strange connection between the tail part and the sharp part: radiation reaction terms of the tail part can cancel corresponding terms of the sharp part. Due to this cancelling mechanism the lowest order electromagnetic radiation damping force in an external gravitational field in harmonic coordinates remains the flat space Abraham Lorentz force. It is demonstrated in this simplified model that a naive slow-motion approximation may easily lead to divergent higher order terms. It is shown that this difficulty does not arise up to the considered order.

  10. Effect of residual water content on the physico-chemical properties of sucralfate dried gel obtained by microwave drying.

    Science.gov (United States)

    Gainotti, Alessandro; Losi, Elena; Bettini, Ruggero; Colombo, Paolo; Sonvico, Fabio; Baroni, Daniela; Santi, Patrizia; Colombo, Gaia

    2005-08-01

    The purpose of this study was to investigate the physico-chemical characteristics of sucralfate humid gel dried by microwaves, in relation to the residual water content. Differential scanning calorimetry (DSC) allowed for the determination of the water state in sucralfate samples. Fourier-transform infrared (FT-IR) spectroscopy was used to monitor the changes in sucralfate gel structure induced by the microwave drying. A boundary value of total water content for sucralfate gel samples was found at 42% (w/w). Below this value only bound water was present, whereas above this value, the increase in total water was due to free water. In the physical form of gel, the strength of the coordination between sulfate anions and the positively charged aluminum hydroxide was dependent on the residual water content. The study of the sedimentation behavior of water suspensions prepared with dried sucralfate allowed for the evaluation of the retention of gel properties. We found that the microwave drying process affected the sedimentation of sucralfate dried gel suspensions independent of the residual water content: when suspensions were prepared from sucralfate dried gel powders containing more than 42% (w/w) of residual water, the sedimentation ratio was higher than 0.9. The non-gel powder suspension showed a sedimentation ratio of 0.68 +/- 0.02, whereas the sucralfate humid gel suspension did not sediment.

  11. Phosphorus Binding Sites in Proteins: Structural Preorganization and Coordination

    DEFF Research Database (Denmark)

    Gruber, Mathias Felix; Greisen, Per Junior; Junker, Märta Caroline

    2014-01-01

    to individual structures that bind to phosphate groups; here, we investigate a total of 8307 structures obtained from the RCSB Protein Data Bank (PDB). An analysis of the binding site amino acid propensities reveals very characteristic first shell residue distributions, which are found to be influenced...... by the characteristics of the phosphorus compound and by the presence of cobound cations. The second shell, which supports the coordinating residues in the first shell, is found to consist mainly of protein backbone groups. Our results show how the second shell residue distribution is dictated mainly by the first shell...

  12. The fall of charged particles under gravity: a study of experimental problems

    International Nuclear Information System (INIS)

    Darling, T.W.; Rossi, F.; Moorhead, G.F.

    1990-01-01

    There are currently several proposals to study the motion of antiprotons, negative hydrogen ions, positrons and electrons under gravity. The motions of such charged particles are affected by residual gas, radiation, electric and magnetic fields, as well as gravity. The electric fields are particularly sensitive to the state of the 'shielding' container. In this paper the physics of these extraneous influences on the motion of charged particles under gravity is reviewed. The effects considered include: residual gas scattering, wall potentials due to patches, stress, thermal gradients, contamination states, and image-charge induced dissipation. 51 refs., 6 figs

  13. The Distribution of Charged Amino Acid Residues and the Ca2+ Permeability of Nicotinic Acetylcholine Receptors: A Predictive Model

    Directory of Open Access Journals (Sweden)

    Sergio Fucile

    2017-05-01

    Full Text Available Nicotinic acetylcholine receptors (nAChRs are cation-selective ligand-gated ion channels exhibiting variable Ca2+ permeability depending on their subunit composition. The Ca2+ permeability is a crucial functional parameter to understand the physiological role of nAChRs, in particular considering their ability to modulate Ca2+-dependent processes such as neurotransmitter release. The rings of extracellular and intracellular charged amino acid residues adjacent to the pore-lining TM2 transmembrane segment have been shown to play a key role in the cation selectivity of these receptor channels, but to date a quantitative relationship between these structural determinants and the Ca2+ permeability of nAChRs is lacking. In the last years the Ca2+ permeability of several nAChR subtypes has been experimentally evaluated, in terms of fractional Ca2+ current (Pf, i.e., the percentage of the total current carried by Ca2+ ions. In the present study, the available Pf-values of nAChRs are used to build a simplified modular model describing the contribution of the charged residues in defined regions flanking TM2 to the selectivity filter controlling Ca2+ influx. This model allows to predict the currently unknown Pf-values of existing nAChRs, as well as the hypothetical Ca2+ permeability of subunit combinations not able to assemble into functional receptors. In particular, basing on the amino acid sequences, a Pf > 50% would be associated with homomeric nAChRs composed by different α subunits, excluding α7, α9, and α10. Furthermore, according to the model, human α7β2 receptors should have Pf-values ranging from 3.6% (4:1 ratio to 0.1% (1:4 ratio, much lower than the 11.4% of homomeric α7 nAChR. These results help to understand the evolution and the function of the large diversity of the nicotinic receptor family.

  14. The architecture of metal coordination groups in proteins.

    Science.gov (United States)

    Harding, Marjorie M

    2004-05-01

    A set of tables is presented and a survey given of the architecture of metal coordination groups in a representative set of protein structures from the Protein Data Bank [Bernstein et al. (1977), J. Mol. Biol. 112, 535-542; Berman et al. (2000), Nucleic Acids Res. 28, 235-242]. The structures have been determined to a resolution of 2.5 A or better; the metals considered are Ca, Mg, Mn, Fe, Cu, Zn, Na and K, with particular emphasis on Ca and Zn and the exclusion of haem groups and Fe/S clusters; the proteins are a representative set in which none has more than 30% sequence identity with any other. In them the metal is coordinated by several donor groups from different amino-acid residues in the protein chain and often also by water or other small molecules. The tables, for approximately 600 metal coordination groups, include information on the conformations of the protein chain in the region around the metal and reliability indicators. They illustrate the wide variety of coordination numbers, chelate-loop sizes and other properties and the different characteristics of different metals. They show that glycine has a particular significance in the position adjacent to a donor residue, especially in Ca coordination groups. They also show that metal coordination does not appear to lead to significant distortions of the torsion angles phi, psi from their normally allowed values. Very few metal coordination groups occur more than once in the representative set and when they do they are usually related in fold and function; they have similar but not necessarily identical conformations. However, individual chelate loops, for example Zn(-C-X-X'-C-), in which both cysteines are coordinated to Zn through S, and X and X' are any amino acids, are repeated frequently in many different and unrelated proteins. Not all chelate loops with the same composition have the same conformation, but for smaller loops there are usually one or two strongly preferred and well defined

  15. Effect of residual stresses on hydrogen permeation in iron

    International Nuclear Information System (INIS)

    Mouanga, M.; Bercot, P.; Takadoum, J.

    2010-01-01

    The effect of residual stresses on electrochemical permeation in iron membrane was investigated. Four thermal and mechanical treatments were chosen to obtain different surface states in relation to the residual stresses. Residual stresses were determined by X-ray diffraction (XRD) using the Macherauch and Mueller method. The results were completed by the microhardness measurements. For all iron membranes, compressive residual stresses were obtained. Electrochemical permeation experiments using a Devanathan and Stachurski cell were employed to determine the hydrogen permeation behaviour of the various iron membranes. The latter was charged with hydrogen by galvanostatic cathodic polarization in 0.1 M NaOH at 25 deg. C. The experimental results revealed that hydrogen permeation rate increases with increasing residual stresses introduced in iron membranes.

  16. Characterization of Hospital Residuals

    International Nuclear Information System (INIS)

    Blanco Meza, A.; Bonilla Jimenez, S.

    1997-01-01

    The main objective of this investigation is the characterization of the solid residuals. A description of the handling of the liquid and gassy waste generated in hospitals is also given, identifying the source where they originate. To achieve the proposed objective the work was divided in three stages: The first one was the planning and the coordination with each hospital center, in this way, to determine the schedule of gathering of the waste can be possible. In the second stage a fieldwork was made; it consisted in gathering the quantitative and qualitative information of the general state of the handling of residuals. In the third and last stage, the information previously obtained was organized to express the results as the production rate per day by bed, generation of solid residuals for sampled services, type of solid residuals and density of the same ones. With the obtained results, approaches are settled down to either determine design parameters for final disposition whether for incineration, trituration, sanitary filler or recycling of some materials, and storage politics of the solid residuals that allow to determine the gathering frequency. The study concludes that it is necessary to improve the conditions of the residuals handling in some aspects, to provide the cleaning personnel of the equipment for gathering disposition and of security, minimum to carry out this work efficiently, and to maintain a control of all the dangerous waste, like sharp or polluted materials. In this way, an appreciable reduction is guaranteed in the impact on the atmosphere. (Author) [es

  17. Electric Vehicles Integration in the Electric Power System with Intermittent Energy Sources - The Charge/Discharge infrastructure

    DEFF Research Database (Denmark)

    Marra, Francesco

    The replacement of conventional fuelled vehicles with electric vehicles (EVs) is going to increase in the coming years, following the trend seen for renewable energy sources (RES), as photovoltaic (PV) and wind power. In this scenario, the electric power systems in Europe are going to accommodate...... increased levels of non-dispatchable and fluctuating energy sources, as well as additional power demand due to EV charging. If the charging of EVs can be intelligently managed, several advantages can be offered to the power system. How useful coordinated EV charging can be, in combination with RES...... and the power levels needed. Furthermore, during EV coordination, a number of nonlinearities and battery ageing issues should be taken into account, to ensure a correct EV coordination and to preserve the EV battery lifetime. The third part of this research exploits the use of EV load coordination as an energy...

  18. Macroscopic behaviour of a charged Boltzmann gas

    International Nuclear Information System (INIS)

    Banyai, L.; Gartner, P.; Protopopescu, V.

    1980-08-01

    We consider a classical charged gas (with self-consistent Coulomb interaction) described by a solvable linearized Boltzman equation with thermaljzation on unifopmly distributed scatterers. It is shown that jf one scales the time t, the reciprocal space coordinate k vector and the Debye length l as lambda 2 t, k vector/lambda, lambda l respectively, in the lambda→infinity limit the charge density is equal to the solution of the corresponding diffusion-conduction (macroscopic) equation. (author)

  19. Study of fast operating readout electronics and charge interpolation technique for micro cathode strip chambers (MCSC)

    CERN Document Server

    Kashchuk, A; Sagidova, Nailia

    1998-01-01

    Study of the factors limiting the spatial resolution of the MCSC caused by nonlinearity of the cathode-charge interpolation technique has been carried out using a special test arrangement that imitates the charge distribution on the cathode strips as a real MCSC and allows high precision comparison of the coordinates determined by the charge interpolation technique with the known values. We considered a MCSC with a 0.6 mm gap between the anode and the cathode strip planes and with the strip pitch of 0.9 mm. Various charge interpolation algorithms have been tested. It was demonstrated that the systematics errors in the coordinate measurements as low as 5 microns can be achieved, after applying some simple corrections, even with rather coarse sampling, when the coordinates is determined only by 2 or 3 adjacent strips. These results have been obtained with the readout electronics specially designed for fast operation of the MCSCs with the signal peaking time of 20 ns. The equivalent noise charge ss 1600e (r.m.s....

  20. A non-catalytic histidine residue influences the function of the metalloprotease of Listeria monocytogenes.

    Science.gov (United States)

    Forster, Brian M; Bitar, Alan Pavinski; Marquis, Hélène

    2014-01-01

    Mpl, a thermolysin-like metalloprotease, and PC-PLC, a phospholipase C, are synthesized as proenzymes by the intracellular bacterial pathogen Listeria monocytogenes. During intracellular growth, L. monocytogenes is temporarily confined in a membrane-bound vacuole whose acidification leads to Mpl autolysis and Mpl-mediated cleavage of the PC-PLC N-terminal propeptide. Mpl maturation also leads to the secretion of both Mpl and PC-PLC across the bacterial cell wall. Previously, we identified negatively charged and uncharged amino acid residues within the N terminus of the PC-PLC propeptide that influence the ability of Mpl to mediate the maturation of PC-PLC, suggesting that these residues promote the interaction of the PC-PLC propeptide with Mpl. In the present study, we identified a non-catalytic histidine residue (H226) that influences Mpl secretion across the cell wall and its ability to process PC-PLC. Our results suggest that a positive charge at position 226 is required for Mpl functions other than autolysis. Based on the charge requirement at this position, we hypothesize that this residue contributes to the interaction of Mpl with the PC-PLC propeptide.

  1. Strategies, linkers and coordination polymers for high-performance sorbents

    Science.gov (United States)

    Matzger, Adam J.; Wong-Foy, Antek G.; Lebel, Oliver

    2015-09-15

    A linking ligand compound includes three bidentate chemical moieties distributed about a central chemical moiety. Another linking ligand compound includes a bidentate linking ligand and a monodentate chemical moiety. Coordination polymers include a plurality of metal clusters linked together by residues of the linking ligand compounds.

  2. Light-particle emission and heavy residues from nucleus-nucleus collisions

    International Nuclear Information System (INIS)

    Caplar, R.; Hoelbling, S.; Gentner, R.; Lassen, L.; Oberstedt, A.

    1991-01-01

    We have investigated the interrelation between light-particle multiplicities and mass resp. charge distributions of heavy residues from complete and incomplete fusion of heavy ions. We have shown that a simple statistical model provides the possibility of quantitatively correlating heavy-residue distributions and corresponding light-particle multiplicities both at the Coulomb barrier and at higher energies where preequilibrium emission occurs. (author). 8 refs, 4 figs, 1 tab

  3. Plan charge exchange scattering at high energies

    International Nuclear Information System (INIS)

    Saleem, M.; Bhatti, S.; Fazal-e-Aleem; Rafique, M.

    1980-01-01

    By a phenomenological choice of the residue functions, a very good fit with experiment for the pion-nucleon charge exchange reaction at Fermilab energies is obtained on a simple Regge-pole model using a quadratic rho trajectory and energy-independent parameters

  4. The P9 pocket of HLA-DQ2 (non-Aspbeta57) has no particular preference for negatively charged anchor residues found in other type 1 diabetes-predisposing non-Aspbeta57 MHC class II molecules

    DEFF Research Database (Denmark)

    Quarsten, H; Paulsen, G; Johansen, B H

    1998-01-01

    Susceptibility and resistance to type 1 diabetes are associated with MHC class II alleles that carry non-Asp and Asp at residue 57 of their beta chain respectively. The effect of Asp or non-Aspbeta57 may relate to a differential ability of distinct class II molecules to bind specific immuno......-pathogenic peptides. Recent studies in man and mouse have revealed that some type 1 diabetes-predisposing non-Aspbeta57 class II molecules (i.e. DQ8, DR4Dw15 and I-Ag7) preferentially bind peptides with a negatively charged anchor residue at P9. It has been suggested that this is a common feature of type 1 diabetes......-predisposing class II molecules. The molecular explanation for such a phenomenon could be that class II beta chains with Aspbeta57 form a salt bridge between Aspbeta57 and a conserved Arg of the a chain, whereas in non-Aspbeta57 molecules the Arg is unopposed and free to interact with negatively charged P9 peptide...

  5. Blast furnace residues for arsenic removal from mining-contaminated groundwater.

    Science.gov (United States)

    Carrillo-Pedroza, Fco Raúl; Soria-Aguilar, Ma de Jesús; Martínez-Luevanos, Antonia; Narvaez-García, Víctor

    2014-01-01

    In this work, blast furnace (BF) residues were well characterized and then evaluated as an adsorbent material for arsenic removal from a mining-contaminated groundwater. The adsorption process was analysed using the theories of Freundlich and Langmuir. BF residues were found to be an effective sorbent for As (V) ions. The modelling of adsorption isotherms by empirical models shows that arsenate adsorption is fitted by the Langmuir model, suggesting a monolayer adsorption of arsenic onto adsorbents. Arsenate adsorption onto BF residue is explained by the charge density surface affinity and by the formation of Fe (II) and Fe (III) corrosion products onto BF residue particles. The results indicate that BF residues represent an attractive low-cost absorbent option for the removal of arsenic in wastewater treatment.

  6. Charge exchange in galaxy clusters

    Science.gov (United States)

    Gu, Liyi; Mao, Junjie; de Plaa, Jelle; Raassen, A. J. J.; Shah, Chintan; Kaastra, Jelle S.

    2018-03-01

    Context. Though theoretically expected, the charge exchange emission from galaxy clusters has never been confidently detected. Accumulating hints were reported recently, including a rather marginal detection with the Hitomi data of the Perseus cluster. As previously suggested, a detection of charge exchange line emission from galaxy clusters would not only impact the interpretation of the newly discovered 3.5 keV line, but also open up a new research topic on the interaction between hot and cold matter in clusters. Aim. We aim to perform the most systematic search for the O VIII charge exchange line in cluster spectra using the RGS on board XMM-Newton. Methods: We introduce a sample of 21 clusters observed with the RGS. In order to search for O VIII charge exchange, the sample selection criterion is a >35σ detection of the O VIII Lyα line in the archival RGS spectra. The dominating thermal plasma emission is modeled and subtracted with a two-temperature thermal component, and the residuals are stacked for the line search. The systematic uncertainties in the fits are quantified by refitting the spectra with a varying continuum and line broadening. Results: By the residual stacking, we do find a hint of a line-like feature at 14.82 Å, the characteristic wavelength expected for oxygen charge exchange. This feature has a marginal significance of 2.8σ, and the average equivalent width is 2.5 × 10-4 keV. We further demonstrate that the putative feature can be barely affected by the systematic errors from continuum modeling and instrumental effects, or the atomic uncertainties of the neighboring thermal lines. Conclusions: Assuming a realistic temperature and abundance pattern, the physical model implied by the possible oxygen line agrees well with the theoretical model proposed previously to explain the reported 3.5 keV line. If the charge exchange source indeed exists, we expect that the oxygen abundance could have been overestimated by 8-22% in previous X

  7. Review of the logging residue problem and its reduction through marketing practices.

    Science.gov (United States)

    Thomas C. Adams; Richard C. Smith

    1976-01-01

    This study notes the increasing concern over logging residue in forest land management and describes the various administrative and technological means for accomplishing reductions of logging residue. Alternative sales arrangements can include such things as reduction of stumpage charges for low quality logs or required yarding of unutilized material to the landing or...

  8. A Study on Wireless Charging for Prolonging the Lifetime of Wireless Sensor Networks.

    Science.gov (United States)

    Tu, Weijian; Xu, Xianghua; Ye, Tingcong; Cheng, Zongmao

    2017-07-04

    Wireless charging is an important issue in wireless sensor networks, since it can provide an emerging and effective solution in the absence of other power supplies. The state-of-the-art methods employ a mobile car and a predefined moving path to charge the sensor nodes in the network. Previous studies only consider a factor of the network (i.e., residual energy of sensor node) as a constraint to design the wireless charging strategy. However, other factors, such as the travelled distance of the mobile car, can also affect the effectiveness of wireless charging strategy. In this work, we study wireless charging strategy based on the analysis of a combination of two factors, including the residual energy of sensor nodes and the travelled distance of the charging car. Firstly, we theoretically analyze the limited size of the sensor network to match the capability of a charging car. Then, the networked factors are selected as the weights of traveling salesman problem (TSP) to design the moving path of the charging car. Thirdly, the charging time of each sensor node is computed based on the linear programming problem for the charging car. Finally, a charging period for the network is studied. The experimental results show that the proposed approach can significantly maximize the lifetime of the wireless sensor network.

  9. A Study on Wireless Charging for Prolonging the Lifetime of Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    Weijian Tu

    2017-07-01

    Full Text Available Wireless charging is an important issue in wireless sensor networks, since it can provide an emerging and effective solution in the absence of other power supplies. The state-of-the-art methods employ a mobile car and a predefined moving path to charge the sensor nodes in the network. Previous studies only consider a factor of the network (i.e., residual energy of sensor node as a constraint to design the wireless charging strategy. However, other factors, such as the travelled distance of the mobile car, can also affect the effectiveness of wireless charging strategy. In this work, we study wireless charging strategy based on the analysis of a combination of two factors, including the residual energy of sensor nodes and the travelled distance of the charging car. Firstly, we theoretically analyze the limited size of the sensor network to match the capability of a charging car. Then, the networked factors are selected as the weights of traveling salesman problem (TSP to design the moving path of the charging car. Thirdly, the charging time of each sensor node is computed based on the linear programming problem for the charging car. Finally, a charging period for the network is studied. The experimental results show that the proposed approach can significantly maximize the lifetime of the wireless sensor network.

  10. Decentralized Electric Vehicle Charging Strategies for Reduced Load Variation and Guaranteed Charge Completion in Regional Distribution Grids

    Directory of Open Access Journals (Sweden)

    Weige Zhang

    2017-01-01

    Full Text Available A novel, fully decentralized strategy to coordinate charge operation of electric vehicles is proposed in this paper. Based on stochastic switching control of on-board chargers, this strategy ensures high-efficiency charging, reduces load variations to the grid during charging periods, achieves charge completion with high probability, and accomplishes approximate “valley-filling”. Further improvements on the core strategy, including individualized power management, adaptive strategies, and battery support systems, are introduced to further reduce power fluctuation variances and to guarantee charge completion. Stochastic analysis is performed to establish the main properties of the strategies and to quantitatively show the performance improvements. Compared with the existing decentralized charging strategies, the strategies proposed in this paper can be implemented without any information exchange between grid operators and electric vehicles (EVs, resulting in a communications cost reduction. Additionally, it is shown that by using stochastic charging rules, a grid-supporting battery system with a very small energy capacity can achieve substantial reduction of EV load fluctuations with high confidence. An extensive set of simulations and case studies with real-world data are used to demonstrate the benefits of the proposed strategies.

  11. Argon-ion charge distributions following near-threshold ionization

    International Nuclear Information System (INIS)

    Levin, J.C.

    1990-01-01

    When an atom is photoionized in an inner shell, there are two mechanisms by which the remaining electron cortege relaxes to fill the vacancy: x-ray emission and radiationless Auger and Coster-Kronig transitions. In the former, the inner-shell hole moves to a less tightly bound orbital without increasing the number of atomic vacancies. In Auger processes, however, the energy liberated by transfer of a less-tightly-bound electron to the inner-shell vacancy is transferred to another electron which is ejected into the continuum. In this case, the charge on the residual ion increases by one. Through a series of radiative and non-radiative processes, the initial vacancy bubbles up until all vacancies arrive at the outermost shell. Due to the many possible routes by which this may occur, there can be a broad distribution of residual ion charge states characteristic of the decay of a single inner-shell vacancy. Because so many processes can contribute to each charge state, it is difficult to determine the effect of each by examining the total ion charge distribution; the total-ion charge distribution represents an average over many effects. To overcome this limitation, the author has recently measured argon-ion production as a function of both photon energy and Auger decay channel following photoionization of K-shell electrons with highly monochromatic synchrotron radiation. When measured differential in decay channel, the ion charge distributions are greatly simplified. Analysis, in progress, of these simplified distributions will permit extraction of information about relative decay rates and shakeoff effects that is obscured in the single spectra

  12. Investigations in the problem of pion condensation using generator co-ordinate methods

    International Nuclear Information System (INIS)

    Chattopadhyay, P.; Providencia, J. da

    1981-01-01

    Pion condensation in neutron matter has been investigated using the generator coordinate methode and a simple p-wave interaction. The assumption of a condensed mode corresponding to one pion momentum (determined variationally) helps evaluate all the necessary matrix elements exactly. The technique of charge projection from a coherent state of negative pions is discussed, and calculations have been carried out for the cases of average charge conversation, charge projection before variation and for a charge conserving trial function. The ground-state energies and the lowest excitations of the system are obtained from numerical solutions of the Hill-Wheeler equation. (orig.)

  13. Monitoring residue in animals and primary products of animal origin

    Directory of Open Access Journals (Sweden)

    Janković Saša

    2008-01-01

    Full Text Available The objective of control and systematic monitoring of residue is to secure, by the examination of a corresponding number of samples, the efficient monitoring of the residue level in tissues and organs of animals, as well as in primary products of animal origin. This creates possibilities for the timely taking of measures toward the securing of food hygiene of animal origin and the protection of public health. Residue can be a consequence of the inadequate use of medicines in veterinary medicine and pesticides in agriculture and veterinary medicine, as well as the polluting of the environment with toxic elements, dioxins, polychlorinated biphenyls, and others. Residue is being monitored in Serbia since 1972, and in 2004, national monitoring was brought to the level of EU countries through significant investments by the Ministry of Agriculture, Forestry and Water Management. This is also evident in the EU directives which permit exports of all kinds of meat and primary products of animal origin, covered by the Residue Monitoring Program. The program of systematic examinations of residue has been coordinated with the requirements of the European Union, both according to the type of examined substance, as well as according to the number of samples and the applied analytical techniques. In addition to the development of methods and the including of new harmful substances into the monitoring programme, it is also necessary to coordinate the national regulations that define the maximum permitted quantities of certain medicines and contaminants with the EU regulations, in order to protect the health of consumers as efficiently as possible, and for the country to take equal part in international trade.

  14. Resonance charge exchange between excited states in slow proton-hydrogen collisions

    International Nuclear Information System (INIS)

    Tolstikhina, Inga Yu.; Kato, Daiji

    2010-01-01

    The theory of resonance charge exchange in slow collisions of a proton with a hydrogen atom in the excited state is developed. It extends the Firsov-Demkov theory of resonance charge exchange to the case of degenerate initial and final states. The theory is illustrated by semiclassical and quantum calculations of charge exchange cross sections between states with n=2 in parabolic and spherical coordinates. The results are compared with existing close-coupling calculations.

  15. Model-checking techniques based on cumulative residuals.

    Science.gov (United States)

    Lin, D Y; Wei, L J; Ying, Z

    2002-03-01

    Residuals have long been used for graphical and numerical examinations of the adequacy of regression models. Conventional residual analysis based on the plots of raw residuals or their smoothed curves is highly subjective, whereas most numerical goodness-of-fit tests provide little information about the nature of model misspecification. In this paper, we develop objective and informative model-checking techniques by taking the cumulative sums of residuals over certain coordinates (e.g., covariates or fitted values) or by considering some related aggregates of residuals, such as moving sums and moving averages. For a variety of statistical models and data structures, including generalized linear models with independent or dependent observations, the distributions of these stochastic processes tinder the assumed model can be approximated by the distributions of certain zero-mean Gaussian processes whose realizations can be easily generated by computer simulation. Each observed process can then be compared, both graphically and numerically, with a number of realizations from the Gaussian process. Such comparisons enable one to assess objectively whether a trend seen in a residual plot reflects model misspecification or natural variation. The proposed techniques are particularly useful in checking the functional form of a covariate and the link function. Illustrations with several medical studies are provided.

  16. Induced charge of spherical dust particle on plasma-facing wall in non-uniform electric field

    International Nuclear Information System (INIS)

    Tomita, Y.; Smirnov, R.; Zhu, S.

    2005-01-01

    Induced charge of a spherical dust particle on a plasma-facing wall is investigated analytically, where non-uniform electric field is applied externally. The one-dimensional non-uniform electrostatic potential is approximated by the polynomial of the normal coordinate toward the wall. The bipolar coordinate is introduced to solve the Laplace equation of the induced electrostatic potential. The boundary condition at the dust surface determines the unknown coefficients of the general solution of the Laplace equation for the induced potential. From the obtained potential the surface induced charge can be calculated. This result allows estimating the effect of the surrounding plasma, which shields the induced charge. (author)

  17. Tracking excited-state charge and spin dynamics in iron coordination complexes

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Alonso-Mori, Roberto; Bergmann, Uwe

    2014-01-01

    to spin state, can elucidate the spin crossover dynamics of [Fe(2,2'-bipyridine)(3)](2+) on photoinduced metal-to-ligand charge transfer excitation. We are able to track the charge and spin dynamics, and establish the critical role of intermediate spin states in the crossover mechanism. We anticipate......Crucial to many light-driven processes in transition metal complexes is the absorption and dissipation of energy by 3d electrons(1-4). But a detailed understanding of such non-equilibrium excited-state dynamics and their interplay with structural changes is challenging: a multitude of excited...... states and possible transitions result in phenomena too complex to unravel when faced with the indirect sensitivity of optical spectroscopy to spin dynamics(5) and the flux limitations of ultrafast X-ray sources(6,7). Such a situation exists for archetypal poly-pyridyl iron complexes, such as [Fe(2...

  18. Molecular interactions and residues involved in force generation in the T4 viral DNA packaging motor.

    Science.gov (United States)

    Migliori, Amy D; Smith, Douglas E; Arya, Gaurav

    2014-12-12

    Many viruses utilize molecular motors to package their genomes into preformed capsids. A striking feature of these motors is their ability to generate large forces to drive DNA translocation against entropic, electrostatic, and bending forces resisting DNA confinement. A model based on recently resolved structures of the bacteriophage T4 motor protein gp17 suggests that this motor generates large forces by undergoing a conformational change from an extended to a compact state. This transition is proposed to be driven by electrostatic interactions between complementarily charged residues across the interface between the N- and C-terminal domains of gp17. Here we use atomistic molecular dynamics simulations to investigate in detail the molecular interactions and residues involved in such a compaction transition of gp17. We find that although electrostatic interactions between charged residues contribute significantly to the overall free energy change of compaction, interactions mediated by the uncharged residues are equally if not more important. We identify five charged residues and six uncharged residues at the interface that play a dominant role in the compaction transition and also reveal salt bridging, van der Waals, and solvent hydrogen-bonding interactions mediated by these residues in stabilizing the compact form of gp17. The formation of a salt bridge between Glu309 and Arg494 is found to be particularly crucial, consistent with experiments showing complete abrogation in packaging upon Glu309Lys mutation. The computed contributions of several other residues are also found to correlate well with single-molecule measurements of impairments in DNA translocation activity caused by site-directed mutations. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. The Generation of Dehydroalanine Residues in Protonated Polypeptides: Ion/Ion Reactions for Introducing Selective Cleavages

    Science.gov (United States)

    Peng, Zhou; Bu, Jiexun; McLuckey, Scott A.

    2017-09-01

    We examine a gas-phase approach for converting a subset of amino acid residues in polypeptide cations to dehydroalanine (Dha). Subsequent activation of the modified polypeptide ions gives rise to specific cleavage N-terminal to the Dha residue. This process allows for the incorporation of selective cleavages in the structural characterization of polypeptide ions. An ion/ion reaction within the mass spectrometer between a multiply protonated polypeptide and the sulfate radical anion introduces a radical site into the multiply protonated polypeptide reactant. Subsequent collisional activation of the polypeptide radical cation gives rise to radical side chain loss from one of several particular amino acid side chains (e.g., leucine, asparagine, lysine, glutamine, and glutamic acid) to yield a Dha residue. The Dha residues facilitate preferential backbone cleavages to produce signature c- and z-ions, demonstrated with cations derived from melittin, mechano growth factor (MGF), and ubiquitin. The efficiencies for radical side chain loss and for subsequent generation of specific c- and z-ions have been examined as functions of precursor ion charge state and activation conditions using cations of ubiquitin as a model for a small protein. It is noted that these efficiencies are not strongly dependent on ion trap collisional activation conditions but are sensitive to precursor ion charge state. Moderate to low charge states show the greatest overall yields for the specific Dha cleavages, whereas small molecule losses (e.g., water/ammonia) dominate at the lowest charge states and proton catalyzed amide bond cleavages that give rise to b- and y-ions tend to dominate at high charge states. [Figure not available: see fulltext.

  20. Charge-density study of crystalline beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, R F [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA). Dept. of Chemistry

    1977-01-01

    The X-ray structure factors for crystalline beryllium measured by Brown (Phil. Mag. (1972), 26, 1377) have been analyzed with multipole deformation functions for charge-density information. Single exponential radial functions were used for the valence charge density. A valence monopole plus the three harmonics, P/sup 3//sub 5/(cos theta) sin 3phi, P/sub 6/(cos theta) and P/sup 3//sub 7/(cos theta) sin 3phi, provide a least-squares fit to the data with Rsub(w)=0.0081. The superposition of these density functions describes a bonding charge density between Be atoms along the c axis through the tetrahedral vacancy. The results reported here are in qualitative agreement with a recent pseudo-potential calculation of metallic beryllium. The final residuals in the analysis are largest at high sin theta/lambda values. This suggests that core charge deformation is present and/or anharmonic motion of the nuclei is appreciable.

  1. Cysteine 295 indirectly affects Ni coordination of carbon monoxide dehydrogenase-II C-cluster

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, Takahiro; Takao, Kyosuke; Yoshida, Takashi [Division of Applied Biosciences, Graduate School of Agriculture, Kyoto University, Kyoto 606-8502 (Japan); Wada, Kei [Organization for Promotion of Tenure Track, University of Miyazaki, Miyazaki 889-1692 (Japan); Daifuku, Takashi; Yoneda, Yasuko [Division of Applied Biosciences, Graduate School of Agriculture, Kyoto University, Kyoto 606-8502 (Japan); Fukuyama, Keiichi [Department of Biological Sciences, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Sako, Yoshihiko, E-mail: sako@kais.kyoto-u.ac.jp [Division of Applied Biosciences, Graduate School of Agriculture, Kyoto University, Kyoto 606-8502 (Japan)

    2013-11-08

    Highlights: •CODH-II harbors a unique [Ni-Fe-S] cluster. •We substituted the ligand residues of Cys{sup 295} and His{sup 261}. •Dramatic decreases in Ni content upon substitutions were observed. •All substitutions did not affect Fe-S clusters assembly. •CO oxidation activity was decreased by the substitutions. -- Abstract: A unique [Ni–Fe–S] cluster (C-cluster) constitutes the active center of Ni-containing carbon monoxide dehydrogenases (CODHs). His{sup 261}, which coordinates one of the Fe atoms with Cys{sup 295}, is suggested to be the only residue required for Ni coordination in the C-cluster. To evaluate the role of Cys{sup 295}, we constructed CODH-II variants. Ala substitution for the Cys{sup 295} substitution resulted in the decrease of Ni content and didn’t result in major change of Fe content. In addition, the substitution had no effect on the ability to assemble a full complement of [Fe–S] clusters. This strongly suggests Cys{sup 295} indirectly and His{sup 261} together affect Ni-coordination in the C-cluster.

  2. Cysteine 295 indirectly affects Ni coordination of carbon monoxide dehydrogenase-II C-cluster

    International Nuclear Information System (INIS)

    Inoue, Takahiro; Takao, Kyosuke; Yoshida, Takashi; Wada, Kei; Daifuku, Takashi; Yoneda, Yasuko; Fukuyama, Keiichi; Sako, Yoshihiko

    2013-01-01

    Highlights: •CODH-II harbors a unique [Ni-Fe-S] cluster. •We substituted the ligand residues of Cys 295 and His 261 . •Dramatic decreases in Ni content upon substitutions were observed. •All substitutions did not affect Fe-S clusters assembly. •CO oxidation activity was decreased by the substitutions. -- Abstract: A unique [Ni–Fe–S] cluster (C-cluster) constitutes the active center of Ni-containing carbon monoxide dehydrogenases (CODHs). His 261 , which coordinates one of the Fe atoms with Cys 295 , is suggested to be the only residue required for Ni coordination in the C-cluster. To evaluate the role of Cys 295 , we constructed CODH-II variants. Ala substitution for the Cys 295 substitution resulted in the decrease of Ni content and didn’t result in major change of Fe content. In addition, the substitution had no effect on the ability to assemble a full complement of [Fe–S] clusters. This strongly suggests Cys 295 indirectly and His 261 together affect Ni-coordination in the C-cluster

  3. Development of the specialized integrated circuit for signal readout from micro-strip structures of a coordinate detectors

    International Nuclear Information System (INIS)

    Aulchenko, V.; Shekhtman, L.; Zhulanov, V.

    2015-01-01

    The paper presents current status of development of a specialized 64-channel integrated circuit (IC, ASIC) for front-end electronics of coordinate detectors in the Budker INP. The ASIC is produced using 180 nm process. During the recording phase the IC allows integration of short current pulses from strips of a coordinate sensor, and storing of up to 100 corresponding charge values in the analogue memory with minimum time interval of 100 ns. Maximum input charge is equal to 2×10 6 electrons, equivalent noise charge is ∼2.7×10 3 electrons. Conversion of the data, stored in the analogue memory, to digital form is performed by an external ADC during the readout through an analogue multiplexer

  4. Mathematical analysis and coordinated current allocation control in battery power module systems

    Science.gov (United States)

    Han, Weiji; Zhang, Liang

    2017-12-01

    As the major energy storage device and power supply source in numerous energy applications, such as solar panels, wind plants, and electric vehicles, battery systems often face the issue of charge imbalance among battery cells/modules, which can accelerate battery degradation, cause more energy loss, and even incur fire hazard. To tackle this issue, various circuit designs have been developed to enable charge equalization among battery cells/modules. Recently, the battery power module (BPM) design has emerged to be one of the promising solutions for its capability of independent control of individual battery cells/modules. In this paper, we propose a new current allocation method based on charging/discharging space (CDS) for performance control in BPM systems. Based on the proposed method, the properties of CDS-based current allocation with constant parameters are analyzed. Then, real-time external total power requirement is taken into account and an algorithm is developed for coordinated system performance control. By choosing appropriate control parameters, the desired system performance can be achieved by coordinating the module charge balance and total power efficiency. Besides, the proposed algorithm has complete analytical solutions, and thus is very computationally efficient. Finally, the efficacy of the proposed algorithm is demonstrated using simulations.

  5. Fate and possible nutritional and toxicological significance of methylbromide residues in fumigated cocoa beans. Coordinated programme on isotopic tracer-aided studies on foreign chemical residues in food

    International Nuclear Information System (INIS)

    Adomako, D.

    1975-03-01

    Methyl bromide residues in cocoa as a result of fumigation under practical conditions have been studied. Cocoa beans were exposed to 14 C-labelled CH 3 Br for 24 hours at 20-32degC and dosage 23.5 to 28mg/1 of fumigants (moisture content of 6-7%). Whole unroasted beans and their shells and nibs as well as shells and nibs of roasted (105degC for 30 min) beans were extracted separately with toluene (for free CH 3 Br) and the dried residues wet combusted. 14 C-activities were determined by liquid scintillation counting. Total methyl bromide (bound and free) was equivalent 83-98ppm in whole unroasted beans 35 hours after treatment and aeration, and 31, 15 and 10ppm after 7, 42 and 70 days respectively in one set of experiments and 37, 53 and 42ppm after 76, 60 and 51 days in another set. Approximately 80% of the residue occurred in the shells which constitute only 12 to 13% of unroasted beans. 99% of the total residues appeared to be in chemically-bound form. Roasting reduced the total residues by 32 to 62% in nibs and 3.6 to 14% in shells. A striking effect of roasting was the occurrence in roasted nibs of residues as (extractable) carbon-14 (62-82% of the total residues compared to 16.5 - 27% in unroasted nibs). The bound residues behaved as methylated derivatives whilst the volatile fraction behaved as volatile aroma compounds formed by Maillard type reactions from the 14 C-labelled amino acides and sugars

  6. Kinetics of particle ensembles with variable charges

    International Nuclear Information System (INIS)

    Ivlev, A. V.; Zhdanov, S.; Klumov, B.; Morfill, G.; Tsytovich, V. N.; Angelis, U. de

    2005-01-01

    One of the remarkable features distinguishing complex (dusty) plasmas from usual plasmas is that charges on the grains are not constant, but fluctuate in time around some equilibrium value which, in then, is some function of spatial coordinates. Generally, ensembles of particles with variable charges are non-Hamiltonian systems where the mutual collisions do not conserve energy. Therefore, the use of thermodynamic potentials to describe such systems is not really valid. An appropriate way to investigate their evolution is to employ the kinetic approach. We studied (both analytical and numerically) two cases: (a) inhomogeneous charge-it depends on the particle coordinate but does not change in time, and (b)fluctuating charge-it changes in time around the equilibrium value, which is constant in space. For both cases we used the Fokker-Planck approach to derive the collision integral which describes the momentum and energy transfer in mutual particle collisions as well as in the collisions with neutrals. We obtained that the mean particle energy grows in time when the neutral friction is below a certain threshold (as shown in Fig. 1). In case (a) the energy changes as ∞(t c r-t)''2, in case (b) it scales as ∞(t c r-t)''-1, exhibiting the explosion-like growth with t c r a critical time scale. The obtained solutions can be of significant importance for laboratory dusty plasmas as well as for space plasma environments, where inhomogeneous charge distributions are often present. For instance, the instability can cause dust heating in low-pressure complex plasma experiments, it can be responsible for the melting of plasma crystals, it might operate in protoplanetary disks and effect the kinetics of the planet formation, etc. (Author)

  7. Mapping of Residues Forming the Voltage Sensor of the Voltage-Dependent Anion-Selective Channel

    Science.gov (United States)

    Thomas, Lorie; Blachly-Dyson, Elizabeth; Colombini, Marco; Forte, Michael

    1993-06-01

    Voltage-gated ion-channel proteins contain "voltage-sensing" domains that drive the conformational transitions between open and closed states in response to changes in transmembrane voltage. We have used site-directed mutagenesis to identify residues affecting the voltage sensitivity of a mitochondrial channel, the voltage-dependent anion-selective channel (VDAC). Although charge changes at many sites had no effect, at other sites substitutions that increased positive charge also increased the steepness of voltage dependance and substitutions that decreased positive charge decreased voltage dependance by an appropriate amount. In contrast to the plasma membrane K^+ and Na^+ channels, these residues are distributed over large parts of the VDAC protein. These results have been used to define the conformational transitions that accompany voltage gating of an ion channel. This gating mechanism requires the movement of large portions of the VDAC protein through the membrane.

  8. Analyses of the Short Periodical Part of the Spectrum of Pole Coordinate Variations Determined by the Astrometric and Laser Technique

    Science.gov (United States)

    Kołaczek, B.; Kosek, W.; Galas, R.

    Series of BIH astrometric (BIH-ASTR) pole coordinates and of CSR LAGEOS laser ranging (CSR-LALAR) pole coordinates determined in the MERIT Campaign in the years 1972 - 1986, 1983 - 1986, respectively, have been filtered by different band pass filters consisting of the law pass Gauss filter and of the high pass Butterworth filter. Filtered residuals were analysed by the MESA-Maximum Entropy Spectra Analysis and by the Ormsby narrow band pass filters in order to find numerically modeled signals approximating these residuals in the best way.

  9. Proteins with Novel Structure, Function and Dynamics

    Science.gov (United States)

    Pohorille, Andrew

    2014-01-01

    Recently, a small enzyme that ligates two RNA fragments with the rate of 10(exp 6) above background was evolved in vitro (Seelig and Szostak, Nature 448:828-831, 2007). This enzyme does not resemble any contemporary protein (Chao et al., Nature Chem. Biol. 9:81-83, 2013). It consists of a dynamic, catalytic loop, a small, rigid core containing two zinc ions coordinated by neighboring amino acids, and two highly flexible tails that might be unimportant for protein function. In contrast to other proteins, this enzyme does not contain ordered secondary structure elements, such as alpha-helix or beta-sheet. The loop is kept together by just two interactions of a charged residue and a histidine with a zinc ion, which they coordinate on the opposite side of the loop. Such structure appears to be very fragile. Surprisingly, computer simulations indicate otherwise. As the coordinating, charged residue is mutated to alanine, another, nearby charged residue takes its place, thus keeping the structure nearly intact. If this residue is also substituted by alanine a salt bridge involving two other, charged residues on the opposite sides of the loop keeps the loop in place. These adjustments are facilitated by high flexibility of the protein. Computational predictions have been confirmed experimentally, as both mutants retain full activity and overall structure. These results challenge our notions about what is required for protein activity and about the relationship between protein dynamics, stability and robustness. We hypothesize that small, highly dynamic proteins could be both active and fault tolerant in ways that many other proteins are not, i.e. they can adjust to retain their structure and activity even if subjected to mutations in structurally critical regions. This opens the doors for designing proteins with novel functions, structures and dynamics that have not been yet considered.

  10. Effective charge model in the theory of infrared intensities and its application for study of charge di.stribution in the molecules of organometallic compounds

    International Nuclear Information System (INIS)

    Aleksanyan, V.T.; Samvelyan, S.Kh.

    1984-01-01

    General principles of plotting the parametric theory of IR spectrum intensities of polyatomic molecules are outlined. The development of the effective charges model in this theory is considered and the mathematical formalism of the first approximation of the method of effective atom charges is described in detail. The results of calculations of charges distribution in the Mo(CO) 6 , W(CO) 6 , Cp 2 V, Cp 2 Ru and others (Cp-cyclopentadiene), performed in the frame work of the outlined scheme are presented. It is shown that in the investigated carbonyles the effective charge on oxygen and metal atoms is negative, on carbon atom - positive. In dicyclopentavienyl complexes the effective charge on the metal atom is positive and is not over 0.6e; charge values on hydrogen and carbon atoms do not exceed, 0.10-0.15e. The notions of ''electrovalence'' of coordination bond and charge distribution in the case of metallocenes are not correlated

  11. The role of terminations and coordination atoms on the pseudocapacitance of titanium carbonitride monolayers.

    Science.gov (United States)

    Zhang, Wenqiang; Cheng, Chuan; Fang, Peilin; Tang, Bin; Zhang, Jindou; Huang, Guoming; Cong, Xin; Zhang, Bao; Ji, Xiao; Miao, Ling

    2016-02-14

    Nowadays, MXenes have received extensive concern as a prominent electrode material of electrochemical capacitors. As two important factors to the capacitance, the influence of the intrinsical terminations (F, O and OH) and coordination atoms (C and N) is investigated using first-principles calculations. According to the density of states aligned with the standard hydrogen electrode, it turns out that a Ti3CNO2 monolayer is proven to show an obvious pseudocapacitive behavior, while the bare, F and OH terminated Ti3CN monolayers may only present electrochemical double layer characters in an aqueous electrolyte. Moreover, the illustration of molecular orbitals over the Fermi level are mainly contributed by the d-orbitals of Ti atoms coordinated with O and N atoms, indicating that the redox pseudocapacitance of the Ti3CNO2 monolayer is promoted by the coordination N atoms. Then the superiority of N bonded Ti atoms in accepting charges can be visualized through the charge population. Further, the larger ratio of C/N in the coordination environment of Ti atoms indicates that more electrons can be stored. Our investigation can give an instructional advice in the MXenes-electrode production.

  12. Space-charge effects of the proportional counters in a multiple-ionization chamber

    International Nuclear Information System (INIS)

    Mang, M.

    1993-01-01

    At the ALADIN spectrometer of the GSI in october 1991 for the first time the new multiple ionization chamber was applied, in the two anode planes of which are additional multiwire-proportional counters. The proportional counters are required in order to make the detection of light fragments (Z 4 gold projectiles per second by these positive space charges the homogeneous electric field of the MUSIC is disturbed. This effect is especially strong in the beam plane. As consequence of the space charge additionally electrons are focused on the proportional counter so that their amplitudes in dependence on the beam intensity increase up to the 2.5-fold. Furthermore the y coordinate is falsified, because the electrons are diverted to the medium plane. On the measurement of the x coordinate this diversion has with maximally 0.1% only a small influence. These space-charge effects can be qualitatively described by a schematic model, which assumes a stationary positive space charge. Additionally for the proportional counters, which are not in the beam plane, their resolution was determined. In these counters the space-charge effects are small, because essentially fewer particles are registrated than in the medium MWPC's. By this charges of fragments with Z<10 could be separated. The charge resolution amounted at lithium 0.8 charge units. The position resolution of the proportional counters in y direction was determined to less than 8 mm. The detection probability of the fragments amounts for lithium 90% and from boron all fragments are detected

  13. Study on portable optical 3D coordinate measuring system

    Science.gov (United States)

    Ren, Tongqun; Zhu, Jigui; Guo, Yinbiao

    2009-05-01

    A portable optical 3D coordinate measuring system based on digital Close Range Photogrammetry (CRP) technology and binocular stereo vision theory is researched. Three ultra-red LED with high stability is set on a hand-hold target to provide measuring feature and establish target coordinate system. Ray intersection based field directional calibrating is done for the intersectant binocular measurement system composed of two cameras by a reference ruler. The hand-hold target controlled by Bluetooth wireless communication is free moved to implement contact measurement. The position of ceramic contact ball is pre-calibrated accurately. The coordinates of target feature points are obtained by binocular stereo vision model from the stereo images pair taken by cameras. Combining radius compensation for contact ball and residual error correction, object point can be resolved by transfer of axes using target coordinate system as intermediary. This system is suitable for on-field large-scale measurement because of its excellent portability, high precision, wide measuring volume, great adaptability and satisfying automatization. It is tested that the measuring precision is near to +/-0.1mm/m.

  14. From Coordination Cages to a Stable Crystalline Porous Hydrogen-Bonded Framework

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Zhanfeng [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Liu, Guoliang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Yu-Sheng [ChemMatCARS, Center for Advanced Radiation Sources, The University of Chicago, Argonne Illinois 60439 USA; Yuan, Daqiang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Banglin [Department of Chemistry, University of Texas at San Antonio, San Antonio Texas 78249-0698 USA

    2017-03-20

    A stable framework has been constructed through multiple charge-assisted H-bonds between cationic coordination cages and chloride ions. The framework maintained its original structure upon desolvation, which has been established by single-crystal structure analysis. This is the first fully characterized stable porous framework based on coordination cages after desolvation, with a moderately high Brunauer–Emmett–Teller (BET) surface area of 1201 m2 g-1. This work will not only give a light to construct stable porous frameworks based on coordination cages and thus broaden their applications, but will also provide a new avenue to the assembly of other porous materials such as porous organic cages and hydrogen-bonded organic frameworks (HOFs) through non covalent bonds.

  15. Functional validation of Ca2+-binding residues from the crystal structure of the BK ion channel.

    Science.gov (United States)

    Kshatri, Aravind S; Gonzalez-Hernandez, Alberto J; Giraldez, Teresa

    2018-04-01

    BK channels are dually regulated by voltage and Ca 2+ , providing a cellular mechanism to couple electrical and chemical signalling. Intracellular Ca 2+ concentration is sensed by a large cytoplasmic region in the channel known as "gating ring", which is formed by four tandems of regulator of conductance for K + (RCK1 and RCK2) domains. The recent crystal structure of the full-length BK channel from Aplysia californica has provided new information about the residues involved in Ca 2+ coordination at the high-affinity binding sites located in the RCK1 and RCK2 domains, as well as their cooperativity. Some of these residues have not been previously studied in the human BK channel. In this work we have investigated, through site directed mutagenesis and electrophysiology, the effects of these residues on channel activation by voltage and Ca 2+ . Our results demonstrate that the side chains of two non-conserved residues proposed to coordinate Ca 2+ in the A. californica structure (G523 and E591) have no apparent functional role in the human BK Ca 2+ sensing mechanism. Consistent with the crystal structure, our data indicate that in the human channel the conserved residue R514 participates in Ca 2+ coordination in the RCK1 binding site. Additionally, this study provides functional evidence indicating that R514 also interacts with residues E902 and Y904 connected to the Ca 2+ binding site in RCK2. Interestingly, it has been proposed that this interaction may constitute a structural correlate underlying the cooperative interactions between the two high-affinity Ca 2+ binding sites regulating the Ca 2+ dependent gating of the BK channel. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Targeting EphA2-Sam and Its Interactome: Design and Evaluation of Helical Peptides Enriched in Charged Residues.

    Science.gov (United States)

    Mercurio, Flavia A; Marasco, Daniela; Di Natale, Concetta; Pirone, Luciano; Costantini, Susan; Pedone, Emilia M; Leone, Marilisa

    2016-11-17

    The EphA2 receptor controls diverse physiological and pathological conditions and its levels are often upregulated in cancer. Targeting receptor overexpression, through modulation of endocytosis and consequent degradation, appears to be an appealing strategy for attacking tumor malignancy. In this scenario, the Sam domain of EphA2 plays a pivotal role because it is the site where protein regulators of endocytosis and stability are recruited by means of heterotypic Sam-Sam interactions. Because EphA2-Sam heterotypic complexes are largely based on electrostatic contacts, we have investigated the possibility of attacking these interactions with helical peptides enriched in charged residues. Several peptide sequences with high predicted helical propensities were designed, and detailed conformational analyses were conducted by diverse techniques including NMR, CD, and molecular dynamics (MD) simulations. Interaction studies were also performed by NMR, surface plasmon resonance (SPR), and microscale thermophoresis (MST) and led to the identification of two peptides capable of binding to the first Sam domain of Odin. These molecules represent early candidates for the generation of efficient Sam domain binders and antagonists of Sam-Sam interactions involving EphA2. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Extraordinary Mechanism of the Diels-Alder Reaction: Investigation of Stereochemistry, Charge Transfer, Charge Polarization, and Biradicaloid Formation.

    Science.gov (United States)

    Sexton, Thomas; Kraka, Elfi; Cremer, Dieter

    2016-02-25

    The Diels-Alder reaction between 1,3-butadiene and ethene is investigated from far-out in the entrance channel to the very last step in the exit channel thus passing two bifurcation points and extending the range of the reaction valley studied with URVA (Unified Reaction Valley Approach) by 300% compared to previous studies. For the first time, the pre- and postchemical steps of the reaction are analyzed at the same level of theory as the actual chemical processes utilizing the path curvature and its decomposition into internal coordinate or curvilinear coordinate components. A first smaller charge transfer to the dienophile facilitates the rotation of gauche butadiene into its cis form. The actual chemical processes are initiated by a second larger charge transfer to the dienophile that facilitates pyramidalization of the reacting carbon centers, bond equalization, and biradicaloid formation of the reactants. The transition state is aromatically stabilized and moved by five path units into the entrance channel in line with the Hammond-Leffler postulate. The pseudorotation of the boat form into the halfchair of cyclohexene is analyzed. Predictions are made for the Diels-Alder reaction based on a 11-phase mechanism obtained by the URVA analysis.

  18. Fractal and probability analysis of creep crack growth behavior in 2.25Cr–1.6W steel incorporating residual stresses

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Mengjia; Xu, Jijin, E-mail: xujijin_1979@sjtu.edu.cn; Lu, Hao; Chen, Jieshi; Chen, Junmei; Wei, Xiao

    2015-12-30

    Graphical abstract: - Highlights: • Statistical and fractal analysis is applied to study the creep fracture surface. • The tensile residual stresses promote the initiation of creep crack. • The fractal dimension of a mixed mode fracture surface shows a wavy variation. • The fractal dimension increases with increasing intergranular fracture percentage. • Height coordinates of intergranular fracture surface fit Gaussian distribution. - Abstract: In order to clarify creep crack growth behavior in 2.25Cr–1.6W steel incorporating residual stresses, creep crack tests were carried out on the tension creep specimens, in which the residual stresses were generated by local remelting and cooling. Residual stresses in the specimens were measured using Synchrotron X-ray diffraction techniques. The fracture surface of the creep specimen was analyzed using statistical methods and fractal analysis. The relation between fractal dimension of the fracture surface and fracture mode of the creep specimen was discussed. Due to different fracture mechanisms, the probability density functions of the height coordinates vary with the intergranular crack percentage. Good fitting was found between Gaussian distribution and the probability function of height coordinates of the high percentage intergranular crack surface.

  19. Fractal and probability analysis of creep crack growth behavior in 2.25Cr–1.6W steel incorporating residual stresses

    International Nuclear Information System (INIS)

    Xu, Mengjia; Xu, Jijin; Lu, Hao; Chen, Jieshi; Chen, Junmei; Wei, Xiao

    2015-01-01

    Graphical abstract: - Highlights: • Statistical and fractal analysis is applied to study the creep fracture surface. • The tensile residual stresses promote the initiation of creep crack. • The fractal dimension of a mixed mode fracture surface shows a wavy variation. • The fractal dimension increases with increasing intergranular fracture percentage. • Height coordinates of intergranular fracture surface fit Gaussian distribution. - Abstract: In order to clarify creep crack growth behavior in 2.25Cr–1.6W steel incorporating residual stresses, creep crack tests were carried out on the tension creep specimens, in which the residual stresses were generated by local remelting and cooling. Residual stresses in the specimens were measured using Synchrotron X-ray diffraction techniques. The fracture surface of the creep specimen was analyzed using statistical methods and fractal analysis. The relation between fractal dimension of the fracture surface and fracture mode of the creep specimen was discussed. Due to different fracture mechanisms, the probability density functions of the height coordinates vary with the intergranular crack percentage. Good fitting was found between Gaussian distribution and the probability function of height coordinates of the high percentage intergranular crack surface.

  20. Analysis and characterization of heavy residues produced in 129Xe + natSn reactions between 8 and 25 AMeV

    International Nuclear Information System (INIS)

    Moisan, J.

    2008-06-01

    Studies with the INDRA multidetector of the 129 Xe + nat Sn reactions showed the unexpected existence of heavy fragments with a charge as large as Z=70. The charges of Xe and Sn are 54 and 50 respectively. Reactions between nuclei with a charge product greater than 2700 are dominated by deep inelastic collisions. For Xe + Sn the product is exactly 2700. After these observations, 129 Xe + nat Sn reactions at 8, 12, 15, 20 and 25 AMeV have been done. It will then be possible to clarify if the heavy residues are formed by an incomplete fusion, massive transfers occurring in deep inelastic collisions or a very asymmetric fission of a compound system. This work will present experimental results obtained by the analysis of these experiments. We will show that heavy residues are formed with a production cross-section of 10 -2 mb. Angular distributions show that the residues can be produced by an incomplete fusion of the projectile and the target. The study of the products in coincidence with the residues shows that a compound system was formed, followed by a fission producing the residue and a lighter fragment. The comparison with a phenomenological model, HIPSE, confirms that the model is valid at these energies

  1. Efficiency Improvement of Some Agricultural Residue Modified Materials for Textile Dyes Absorption

    Science.gov (United States)

    Boonsong, P.; Paksamut, J.

    2018-03-01

    In this work, the adsorption efficiency was investigated of some agricultural residue modified materials as natural bio-adsorbents which were rice straw (Oryza sativa L.) and pineapple leaves (Ananas comosus (L.) Merr.) for the removal of textile dyes. Reactive dyes were used in this research. The improvement procedure of agricultural residue materials properties were alkali-acid modification with sodium hydroxide solution and hydrochloric acid solution. Adsorption performance has been investigated using batch experiments. Investigated adsorption factors consisted of adsorbent dose, contact time, adsorbent materials and pH of solution. The results were found that rice straw had higher adsorption capacity than pineapple leaves. The increasing of adsorption capacity depends on adsorbent dose and contact time. Moreover, the optimum pH for dye adsorption was acidic range because lowering pH increased the positively charges on the adsorbent surface which could be attacked by negatively charge of acid dyes. The agricultural residue modified materials had significant dye removal efficiency which these adsorbents could be used for the treatment of textile effluent in industries.

  2. P-matrix description of charged particles interaction

    International Nuclear Information System (INIS)

    Babenko, V.A.; Petrov, N.M.

    1992-01-01

    The paper deals with formalism of the P-matrix description of two charged particles interaction. Separation in the explicit form of the background part corresponding to the purely Coulomb interaction in the P-matrix is proposed. Expressions for the purely Coulomb P-matrix, its poles, residues and purely Coulomb P-matrix approach eigenfunctions are obtained. (author). 12 refs

  3. Chemical modification of lysine residues in lysozyme may dramatically influence its amyloid fibrillation.

    Science.gov (United States)

    Morshedi, Dina; Ebrahim-Habibi, Azadeh; Moosavi-Movahedi, Ali Akbar; Nemat-Gorgani, Mohsen

    2010-04-01

    Studies on the aggregation of mutant proteins have provided new insights into the genetics of amyloid diseases and the role of the net charge of the protein on the rate, extent, and type of aggregate formation. In the present work, hen egg white lysozyme (HEWL) was employed as the model protein. Acetylation and (separately) citraconylation were employed to neutralize the charge on lysine residues. Acetylation of the lysine residues promoted amyloid formation, resulting in more pronounced fibrils and a dramatic decline in the nucleation time. In contrast, citraconylation produced the opposite effect. In both cases, native secondary and tertiary structures appeared to be retained. Studies on the effect of pH on aggregation suggested greater possibilities for amorphous aggregate formation rather than fibrillation at pH values closer to neutrality, in which the protein is known to take up a conformation more similar to its native form. This is in accord with reports in the literature suggesting that formation of amorphous aggregates is more favored under relatively more native conditions. pH 5 provided a critical environment in which a mixture of amorphous and fibrillar structures were observed. Use of Tango and Aggrescan software which describe aggregation tendencies of different parts of a protein structure suggested critical importance of some of the lysine residues in the aggregation process. Results are discussed in terms of the importance of the net charge in control of protein-protein interactions leading to aggregate formation and possible specific roles of lysine residues 96 and 97. Copyright 2009 Elsevier B.V. All rights reserved.

  4. Collective coordinate approximation to the scattering of solitons in modified NLS and sine-Gordon models

    International Nuclear Information System (INIS)

    Baron, H.E.; Zakrzewski, W.J.

    2016-01-01

    We investigate the validity of collective coordinate approximations to the scattering of two solitons in several classes of (1+1) dimensional field theory models. We consider models which are deformations of the sine-Gordon (SG) or the nonlinear Schrödinger (NLS) model which posses soliton solutions (which are topological (SG) or non-topological (NLS)). Our deformations preserve their topology (SG), but change their integrability properties, either completely or partially (models become ‘quasi-integrable’). As the collective coordinate approximation does not allow for the radiation of energy out of a system we look, in some detail, at how the approximation fares in models which are ‘quasi-integrable’ and therefore have asymptotically conserved charges (i.e. charges Q(t) for which Q(t→−∞)=Q(t→∞)). We find that our collective coordinate approximation, based on geodesic motion etc, works amazingly well in all cases where it is expected to work. This is true for the physical properties of the solitons and even for their quasi-conserved (or not) charges. The only time the approximation is not very reliable (and even then the qualitative features are reasonable, but some details are not reproduced well) involves the processes when the solitons come very close together (within one width of each other) during their scattering.

  5. Gas-Phase Hydrogen-Deuterium Exchange Labeling of Select Peptide Ion Conformer Types: a Per-Residue Kinetics Analysis.

    Science.gov (United States)

    Khakinejad, Mahdiar; Kondalaji, Samaneh Ghassabi; Tafreshian, Amirmahdi; Valentine, Stephen J

    2015-07-01

    The per-residue, gas-phase hydrogen deuterium exchange (HDX) kinetics for individual amino acid residues on selected ion conformer types of the model peptide KKDDDDDIIKIIK have been examined using ion mobility spectrometry (IMS) and HDX-tandem mass spectrometry (MS/MS) techniques. The [M + 4H](4+) ions exhibit two major conformer types with collision cross sections of 418 Å(2) and 446 Å(2); the [M + 3H](3+) ions also yield two different conformer types having collision cross sections of 340 Å(2) and 367 Å(2). Kinetics plots of HDX for individual amino acid residues reveal fast- and slow-exchanging hydrogens. The contributions of each amino acid residue to the overall conformer type rate constant have been estimated. For this peptide, N- and C-terminal K residues exhibit the greatest contributions for all ion conformer types. Interior D and I residues show decreased contributions. Several charge state trends are observed. On average, the D residues of the [M + 3H](3+) ions show faster HDX rate contributions compared with [M + 4H](4+) ions. In contrast the interior I8 and I9 residues show increased accessibility to exchange for the more elongated [M + 4H](4+) ion conformer type. The contribution of each residue to the overall uptake rate showed a good correlation with a residue hydrogen accessibility score model calculated using a distance from charge site and initial incorporation site for nominal structures obtained from molecular dynamic simulations (MDS).

  6. Hydrogen bond strengths in phosphorylated and sulfated amino acid residues.

    Directory of Open Access Journals (Sweden)

    Chaya Rapp

    Full Text Available Post-translational modification by the addition of an oxoanion functional group, usually a phosphate group and less commonly a sulfate group, leads to diverse structural and functional consequences in protein systems. Building upon previous studies of the phosphoserine residue (pSer, we address the distinct nature of hydrogen bonding interactions in phosphotyrosine (pTyr and sulfotyrosine (sTyr residues. We derive partial charges for these modified residues and then study them in the context of molecular dynamics simulation of model tripeptides and sulfated protein complexes, potentials of mean force for interacting residue pairs, and a survey of the interactions of modified residues among experimental protein structures. Overall, our findings show that for pTyr, bidentate interactions with Arg are particularly dominant, as has been previously demonstrated for pSer. sTyr interactions with Arg are significantly weaker, even as compared to the same interactions made by the Glu residue. Our work sheds light on the distinct nature of these modified tyrosine residues, and provides a physical-chemical foundation for future studies with the goal of understanding their roles in systems of biological interest.

  7. EGUN, Charged Particle Trajectories in Electromagnetic Focusing System

    International Nuclear Information System (INIS)

    Herrmannsfeldt, W.B.

    2002-01-01

    1 - Description of problem or function: EGUN computes trajectories of charged particles in electrostatic and magnetostatic focusing systems including the effects of space charge and self-magnetic fields. Starting options include Child's Law conditions on cathodes of various shapes, user-specified conditions input for each ray, and a combination of Child's Law conditions and user specifications. Either rectangular or cylindrically symmetric geometry may be used. Magnetic fields may be specified using an arbitrary configuration of coils, or the output of a magnet program, such as Poisson, or by an externally calculated array of the axial fields. 2 - Method of solution: The program first solves Laplace's equation. Next, the first iteration of electron trajectories is started using one of the four starting options. On the first iteration cycle, space charge forces are calculated from the assumption of paraxial flow. As the rays are traced, space charge is computed and stored. After all the electron trajectories have been calculated, the program begins the second cycle by solving the Poisson equation with the space charge from the first iteration. Subsequent iteration cycles follow this pattern. The Poisson equation is solved by an alternate column relaxation technique known as the semi-iterative Chebyshev method. A fourth-order Runge-Kutta method is used to solve the relativistic differential equations of the trajectory calculations. 3 - Restrictions on the complexity of the problem - Maxima of: 9001 mesh points in a square mesh, 300 mesh points in the axial direction, 100 mesh points in the radial direction, 101 potentials, 51 rays. In the cylindrical coordinates, the magnetic fields are axially symmetric. In rectangular coordinates, the external field is assumed to be normal to the plane of the problem, which is assumed to be the median plane

  8. Manual of Standard Operating Procedures for Veterinary Drug Residue Analysis

    International Nuclear Information System (INIS)

    2016-01-01

    Laboratories are crucial to national veterinary drug residue monitoring programmes. However, one of the main challenges laboratories encounter is obtaining access to relevant methods of analysis. Thus, in addition to training, providing technical advice and transferring technology, the Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture has resolved to develop clear and practical manuals to support Member State laboratories. The Coordinated Research Project (CRP) on Development of Radiometric and Allied Analytical Methods to Strengthen Residue Control Programs for Antibiotic and Anthelmintic Veterinary Drug Residues has developed a number of analytical methods as standard operating procedures (SOPs), which are now compiled here. This publication contains SOPs on chromatographic and spectrometric techniques, as well as radioimmunoassay and associated screening techniques, for various anthelmintic and antimicrobial veterinary drug residue analysis. Some analytical method validation protocols are also included. The publication is primarily aimed at food and environmental safety laboratories involved in testing veterinary drug residues, including under organized national residue monitoring programmes. It is expected to enhance laboratory capacity building and competence through the use of radiometric and complementary tools and techniques. The publication is also relevant for applied research on residues of veterinary drugs in food and environmental samples

  9. Iterative solution of the Grad-Shafranov equation in symmetric magnetic coordinates

    International Nuclear Information System (INIS)

    Brambilla, Marco

    2003-01-01

    The inverse Grad-Shafranov equation for axisymmetric magnetohydrodynamic equilibria is reformulated in symmetric magnetic coordinates (in which magnetic field lines look 'straight', and the geometric toroidal angle is one of the coordinates). The poloidally averaged part of the equilibrium condition and Ampere law takes the form of two first-order ordinary differential equations, with the two arbitrary flux functions, pressure and force-free part of the current density, as sources. The condition for the coordinates to be flux coordinates, and the poloidally varying part of the equilibrium equation are similarly transformed into a set of first-order ordinary differential equations, with coefficients depending on the metric, and explicitly solved for the radial derivatives of the coefficients of the Fourier representation of the Cartesian coordinates in the poloidal angle. The derivation exploits the existence of Boozer-White coordinates, but does not require to find these coordinates explicitly; on the other hand, it offers a simple recipe to perform the transformation to Boozer-White coordinates, if required. Use of symmetric flux coordinates is advantageous for the formulation of many problems of equilibrium, stability, and wave propagation in tokamak plasmas, since these coordinates have the simplest metric of their class. It is also shown that in symmetric flux coordinates the Lagrangian equations of the drift motion of charged particles are automatically solved for the time derivatives, with right-hand sides closely related to the coefficients of the inverse Grad-Shafranov equation

  10. The effect of charge-introduction mutations on E. coli thioredoxin stability.

    Science.gov (United States)

    Perez-Jimenez, Raul; Godoy-Ruiz, Raquel; Ibarra-Molero, Beatriz; Sanchez-Ruiz, Jose M

    2005-04-01

    Technological applications of proteins are often hampered by their low-stability and, consequently, the development of procedures for protein stabilization is of considerable biotechnological interest. Here, we use simple electrostatics to determine positions in E. coli thioredoxin at which mutations that introduce new charged residues are expected to lead to stability enhancement. We also obtain the corresponding mutants and characterize their stability using differential scanning calorimetry. The results are interpreted in terms of the accessibility in the native structure of the mutated residues and the potential effect of the mutations on the residual structure of the denatured state.

  11. Lateral charge transport from heavy-ion tracks in integrated circuit chips

    Science.gov (United States)

    Zoutendyk, J. A.; Schwartz, H. R.; Nevill, L. R.

    1988-01-01

    A 256K DRAM has been used to study the lateral transport of charge (electron-hole pairs) induced by direct ionization from heavy-ion tracks in an IC. The qualitative charge transport has been simulated using a two-dimensional numerical code in cylindrical coordinates. The experimental bit-map data clearly show the manifestation of lateral charge transport in the creation of adjacent multiple-bit errors from a single heavy-ion track. The heavy-ion data further demonstrate the occurrence of multiple-bit errors from single ion tracks with sufficient stopping power. The qualitative numerical simulation results suggest that electric-field-funnel-aided (drift) collection accounts for single error generated by an ion passing through a charge-collecting junction, while multiple errors from a single ion track are due to lateral diffusion of ion-generated charge.

  12. Three-dimensional space charge calculation method

    International Nuclear Information System (INIS)

    Lysenko, W.P.; Wadlinger, E.A.

    1981-01-01

    A method is presented for calculating space-charge forces suitable for use in a particle tracing code. Poisson's equation is solved in three dimensions with boundary conditions specified on an arbitrary surface by using a weighted residual method. Using a discrete particle distribution as our source input, examples are shown of off-axis, bunched beams of noncircular crosssection in radio-frequency quadrupole (RFQ) and drift-tube linac geometries

  13. Coordinating plug-in electric vehicle charging with electric grid: Valley filling and target load following

    Science.gov (United States)

    Zhang, Li; Jabbari, Faryar; Brown, Tim; Samuelsen, Scott

    2014-12-01

    Plug-in electric vehicles (PEVs) shift energy consumption from petroleum to electricity for the personal transportation sector. This work proposes a decentralized charging protocol for PEVs with grid operators updating the cost signal. Each PEV calculates its own optimal charging profile only once based on the cost signal, after it is plugged in, and sends the result back to the grid operators. Grid operators only need to aggregate charging profiles and update the load and cost. The existing PEV characteristics, national household travel survey (NHTS), California Independent System Operator (CAISO) demand, and estimates for future renewable generation in California are used to simulate PEV operation, PEV charging profiles, grid demand, and grid net load (demand minus renewable). Results show the proposed protocol has good performance for overnight net load valley filling if the costs to be minimized are proportional to the net load. Annual results are shown in terms of overnight load variation and comparisons are made with grid level valley filling results. Further, a target load can be approached in the same manner by using the gap between current load and the target load as the cost. The communication effort involved is quite modest.

  14. Correction of the deterministic part of space–charge interaction in momentum microscopy of charged particles

    Energy Technology Data Exchange (ETDEWEB)

    Schönhense, G., E-mail: schoenhense@uni-mainz.de [Institut für Physik, Johannes Gutenberg-Universität, 55128 Mainz (Germany); Medjanik, K. [Institut für Physik, Johannes Gutenberg-Universität, 55128 Mainz (Germany); Tusche, C. [Max-Planck-Institut für Mikrostrukturphysik, 06120 Halle (Germany); Loos, M. de; Geer, B. van der [Pulsar Physics, Burghstraat 47, 5614 BC Eindhoven (Netherlands); Scholz, M.; Hieke, F.; Gerken, N. [Physics Department and Center for Free-Electron Laser Science, Univ. Hamburg, 22761 Hamburg (Germany); Kirschner, J. [Max-Planck-Institut für Mikrostrukturphysik, 06120 Halle (Germany); Wurth, W. [Physics Department and Center for Free-Electron Laser Science, Univ. Hamburg, 22761 Hamburg (Germany); DESY Photon Science, 22607 Hamburg (Germany)

    2015-12-15

    Ultrahigh spectral brightness femtosecond XUV and X-ray sources like free electron lasers (FEL) and table-top high harmonics sources (HHG) offer fascinating experimental possibilities for analysis of transient states and ultrafast electron dynamics. For electron spectroscopy experiments using illumination from such sources, the ultrashort high-charge electron bunches experience strong space–charge interactions. The Coulomb interactions between emitted electrons results in large energy shifts and severe broadening of photoemission signals. We propose a method for a substantial reduction of the effect by exploiting the deterministic nature of space–charge interaction. The interaction of a given electron with the average charge density of all surrounding electrons leads to a rotation of the electron distribution in 6D phase space. Momentum microscopy gives direct access to the three momentum coordinates, opening a path for a correction of an essential part of space–charge interaction. In a first experiment with a time-of-flight momentum microscope using synchrotron radiation at BESSY, the rotation in phase space became directly visible. In a separate experiment conducted at FLASH (DESY), the energy shift and broadening of the photoemission signals were quantified. Finally, simulations of a realistic photoemission experiment including space–charge interaction reveals that a gain of an order of magnitude in resolution is possible using the correction technique presented here. - Highlights: • Photoemission spectromicroscopy with high-brightness pulsed sources is examined. • Deterministic interaction of an electron with the average charge density can be corrected. • Requires a cathode-lens type microscope optimized for best k-resolution in reciprocal plane. • Extractor field effectively separates pencil beam of secondary electrons from true signal. • Simulations reveal one order of magnitude gain in resolution.

  15. Identification of intracellular residues in the dopamine transporter critical for regulation of transporter conformation and cocaine binding

    DEFF Research Database (Denmark)

    Loland, Claus Juul; Grånäs, Charlotta; Javitch, Jonathan A

    2004-01-01

    Recently we showed evidence that mutation of Tyr-335 to Ala (Y335A) in the human dopamine transporter (hDAT) alters the conformational equilibrium of the transport cycle. Here, by substituting, one at a time, 16 different bulky or charged intracellular residues, we identify three residues, Lys-26...

  16. 3D Simulations of Space Charge Effects in Particle Beams

    Energy Technology Data Exchange (ETDEWEB)

    Adelmann, A

    2002-10-01

    For the first time, it is possible to calculate the complicated three-dimensional proton accelerator structures at the Paul Scherrer Institut (PSI). Under consideration are external and self effects, arising from guiding and space-charge forces. This thesis has as its theme the design, implementation and validation of a tracking program for charged particles in accelerator structures. This work form part of the discipline of Computational Science and Engineering (CSE), more specifically in computational accelerator modelling. The physical model is based on the collisionless Vlasov-Maxwell theory, justified by the low density ({approx} 10{sup 9} protons/cm{sup 3}) of the beam and of the residual gas. The probability of large angle scattering between the protons and the residual gas is then sufficiently low, as can be estimated by considering the mean free path and the total distance a particle travels in the accelerator structure. (author)

  17. 3D Simulations of Space Charge Effects in Particle Beams

    International Nuclear Information System (INIS)

    Adelmann, A.

    2002-10-01

    For the first time, it is possible to calculate the complicated three-dimensional proton accelerator structures at the Paul Scherrer Institut (PSI). Under consideration are external and self effects, arising from guiding and space-charge forces. This thesis has as its theme the design, implementation and validation of a tracking program for charged particles in accelerator structures. This work form part of the discipline of Computational Science and Engineering (CSE), more specifically in computational accelerator modelling. The physical model is based on the collisionless Vlasov-Maxwell theory, justified by the low density (∼ 10 9 protons/cm 3 ) of the beam and of the residual gas. The probability of large angle scattering between the protons and the residual gas is then sufficiently low, as can be estimated by considering the mean free path and the total distance a particle travels in the accelerator structure. (author)

  18. Optimal Routing and Scheduling of Charge for Electric Vehicles: Case Study

    OpenAIRE

    Barco, John; Guerra, Andres; Muñoz, Luis; Quijano, Nicanor

    2013-01-01

    In Colombia, there is an increasing interest about improving public transportation. One of the proposed strategies in that way is the use battery electric vehicles (BEVs). One of the new challenges is the BEVs routing problem, which is subjected to the traditional issues of the routing problems, and must also consider the particularities of autonomy, charge and battery degradation of the BEVs. In this work, a scheme that coordinates the routing, scheduling of charge and operating costs of BEV...

  19. A residue-specific shift in stability and amyloidogenicity of antibody variable domains.

    Science.gov (United States)

    Nokwe, Cardine N; Zacharias, Martin; Yagi, Hisashi; Hora, Manuel; Reif, Bernd; Goto, Yuji; Buchner, Johannes

    2014-09-26

    Variable (V) domains of antibodies are essential for antigen recognition by our adaptive immune system. However, some variants of the light chain V domains (VL) form pathogenic amyloid fibrils in patients. It is so far unclear which residues play a key role in governing these processes. Here, we show that the conserved residue 2 of VL domains is crucial for controlling its thermodynamic stability and fibril formation. Hydrophobic side chains at position 2 stabilize the domain, whereas charged residues destabilize and lead to amyloid fibril formation. NMR experiments identified several segments within the core of the VL domain to be affected by changes in residue 2. Furthermore, molecular dynamic simulations showed that hydrophobic side chains at position 2 remain buried in a hydrophobic pocket, and charged side chains show a high flexibility. This results in a predicted difference in the dissociation free energy of ∼10 kJ mol(-1), which is in excellent agreement with our experimental values. Interestingly, this switch point is found only in VL domains of the κ family and not in VLλ or in VH domains, despite a highly similar domain architecture. Our results reveal novel insight into the architecture of variable domains and the prerequisites for formation of amyloid fibrils. This might also contribute to the rational design of stable variable antibody domains. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  20. A modified space charge routine for high intensity bunched beams

    International Nuclear Information System (INIS)

    Lapostolle, P.; Lombardi, A.M.; Tanke, E.; Valero, S.; Garnett, R.W.; Wangler, T.P.

    1996-01-01

    A new routine and a computer code (DYNAC) for the calculation of space charge densities in a new generation of linear accelerators for various industrial applications is presented. The new beam dynamics method used in this code, employs a set of quasi-Liouvillian equations, allowing beam dynamics computations in long and complex structures for electrons, as well as protons and ions. With this new beam dynamics method, the coordinates of particles are known at any position in the accelerating elements, allowing multistep space charge calculations. (K.A.)

  1. A charge-dependent mechanism is responsible for the dynamic accumulation of proteins inside nucleoli.

    Science.gov (United States)

    Musinova, Yana R; Kananykhina, Eugenia Y; Potashnikova, Daria M; Lisitsyna, Olga M; Sheval, Eugene V

    2015-01-01

    The majority of known nucleolar proteins are freely exchanged between the nucleolus and the surrounding nucleoplasm. One way proteins are retained in the nucleoli is by the presence of specific amino acid sequences, namely nucleolar localization signals (NoLSs). The mechanism by which NoLSs retain proteins inside the nucleoli is still unclear. Here, we present data showing that the charge-dependent (electrostatic) interactions of NoLSs with nucleolar components lead to nucleolar accumulation as follows: (i) known NoLSs are enriched in positively charged amino acids, but the NoLS structure is highly heterogeneous, and it is not possible to identify a consensus sequence for this type of signal; (ii) in two analyzed proteins (NF-κB-inducing kinase and HIV-1 Tat), the NoLS corresponds to a region that is enriched for positively charged amino acid residues; substituting charged amino acids with non-charged ones reduced the nucleolar accumulation in proportion to the charge reduction, and nucleolar accumulation efficiency was strongly correlated with the predicted charge of the tested sequences; and (iii) sequences containing only lysine or arginine residues (which were referred to as imitative NoLSs, or iNoLSs) are accumulated in the nucleoli in a charge-dependent manner. The results of experiments with iNoLSs suggested that charge-dependent accumulation inside the nucleoli was dependent on interactions with nucleolar RNAs. The results of this work are consistent with the hypothesis that nucleolar protein accumulation by NoLSs can be determined by the electrostatic interaction of positively charged regions with nucleolar RNAs rather than by any sequence-specific mechanism. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Approximate direct georeferencing in national coordinates

    Science.gov (United States)

    Legat, Klaus

    Direct georeferencing has gained an increasing importance in photogrammetry and remote sensing. Thereby, the parameters of exterior orientation (EO) of an image sensor are determined by GPS/INS, yielding results in a global geocentric reference frame. Photogrammetric products like digital terrain models or orthoimages, however, are often required in national geodetic datums and mapped by national map projections, i.e., in "national coordinates". As the fundamental mathematics of photogrammetry is based on Cartesian coordinates, the scene restitution is often performed in a Cartesian frame located at some central position of the image block. The subsequent transformation to national coordinates is a standard problem in geodesy and can be done in a rigorous manner-at least if the formulas of the map projection are rigorous. Drawbacks of this procedure include practical deficiencies related to the photogrammetric processing as well as the computational cost of transforming the whole scene. To avoid these problems, the paper pursues an alternative processing strategy where the EO parameters are transformed prior to the restitution. If only this transition was done, however, the scene would be systematically distorted. The reason is that the national coordinates are not Cartesian due to the earth curvature and the unavoidable length distortion of map projections. To settle these distortions, several corrections need to be applied. These are treated in detail for both passive and active imaging. Since all these corrections are approximations only, the resulting technique is termed "approximate direct georeferencing". Still, the residual distortions are usually very low as is demonstrated by simulations, rendering the technique an attractive approach to direct georeferencing.

  3. Gravitational collapse of charged dust shell and maximal slicing condition

    International Nuclear Information System (INIS)

    Maeda, Keiichi

    1980-01-01

    The maximal slicing condition is a good time coordinate condition qualitatively when pursuing the gravitational collapse by the numerical calculation. The analytic solution of the gravitational collapse under the maximal slicing condition is given in the case of a spherical charged dust shell and the behavior of time slices with this coordinate condition is investigated. It is concluded that under the maximal slicing condition we can pursue the gravitational collapse until the radius of the shell decreases to about 0.7 x (the radius of the event horizon). (author)

  4. Improving operating room coordination: communication pattern assessment.

    Science.gov (United States)

    Moss, Jacqueline; Xiao, Yan

    2004-02-01

    To capture communication patterns in operating room (OR) management to characterize the information needs of OR coordination. Technological applications can be used to change system processes to improve communication and information access, thereby decreasing errors and adverse events. The successful design of such applications relies on an understanding of communication patterns among healthcare professionals. Charge nurse communication was observed and documented at four OR suites at three tertiary hospitals. The data collection tool allowed rapid coding of communication patterns in terms of duration, mode, target person, and the purpose of each communication episode. Most (69.24%) of the 2074 communication episodes observed occurred face to face. Coordinating equipment was the most frequently occurring purpose of communication (38.7%) in all suites. The frequency of other purposes in decreasing order were coordinating patient preparedness (25.7%), staffing (18.8%), room assignment (10.7%), and scheduling and rescheduling surgery (6.2%). The results of this study suggest that automating aspects of preparing patients for surgery and surgical equipment management has the potential to reduce information exchange, decreasing interruptions to clinicians and diminishing the possibility of adverse events in the clinical setting.

  5. Committee on Interagency Radiation Research and policy coordination - first annual report, June 30, 1985

    International Nuclear Information System (INIS)

    1985-01-01

    This is the first annual report of the Committee on Interagency Radiation Research and Policy Coordination (CIRRPC). CIRRPC was established on April 9, 1984, by Dr. George A. Keyworth, II, Science Advisor to the President and Director of the Office of Science and Technology Policy (OSTP). CIRRPC replaced the Committee on Interagency Radiation Policy and was assigned responsibilities of the former Interagency Radiation Research Committee and former Radiation Policy Council. CIRRPC is chartered under the Federal Coordinating Council for Science, Engineering and Technology (FCCSET). Its overall charge is to coordinate radiation matters between agencies, evaluate radiation matters between agencies, evaluate radiation research, and provide advice on the formulation of radiation policy

  6. Single- and double-charge exchange at low pion energies

    International Nuclear Information System (INIS)

    Baer, H.W.

    1991-01-01

    A review is given of pion single- and double-charge exchange reactions at incident energies of 25 to 65 MeV leading to isobaric analog states, and in the case of double-charge exchange leading to the ground state of the residual nucleus. The crucial role of the higher nuclear transparency at low pion energies for the analysis of the data in terms of single and double scattering is demonstrated. The large effects on double-charge exchange produced by the spatial correlations in nuclear wave functions are evident. The data on 1f 7/2 nuclei at 35 MeV are used to establish the general validity of a shell-model-based two-amplitude model for these transitions. Recent measurements of the energy dependence between 25 and 65 MeV of double-charge exchange cross sections at forward angles are presented and discussed. 33 refs., 19 figs

  7. A common pathway for charge transport through voltage-sensing domains.

    Science.gov (United States)

    Chanda, Baron; Bezanilla, Francisco

    2008-02-07

    Voltage-gated ion channels derive their voltage sensitivity from the movement of specific charged residues in response to a change in transmembrane potential. Several studies on mechanisms of voltage sensing in ion channels support the idea that these gating charges move through a well-defined permeation pathway. This gating pathway in a voltage-gated ion channel can also be mutated to transport free cations, including protons. The recent discovery of proton channels with sequence homology to the voltage-sensing domains suggests that evolution has perhaps exploited the same gating pathway to generate a bona fide voltage-dependent proton transporter. Here we will discuss implications of these findings on the mechanisms underlying charge (and ion) transport by voltage-sensing domains.

  8. National survey focusing on the crucial information needs of intensive care charge nurses and intensivists: same goal, different demands.

    Science.gov (United States)

    Lundgrén-Laine, Heljä; Kontio, Elina; Kauko, Tommi; Korvenranta, Heikki; Forsström, Jari; Salanterä, Sanna

    2013-01-29

    Although information technology adequately supports clinical care in many intensive care units (ICUs), it provides much poorer support for the managerial information needed to coordinate multi-professional care. To gain a general view of the most crucial multi-professional information needs of ICU shift leaders a national survey was conducted, focusing on the information needs of charge nurses and intensivists. Based on our previous observation study an online survey was developed, containing 122 information need statements related to the decision-making of ICU shift leaders. Information need statements were divided into six dimensions: patient admission, organisation and management of work, allocation of staff and material resources, special treatments, and patient discharge. This survey involved all ICU shift leaders (n = 738) who worked in any of the 17 highest level ICUs for adults in university hospitals in Finland during the autumn of 2009. Both charge nurses' and intensivists' crucial information needs for care coordination were evaluated. Two hundred and fifty-seven (50%) charge nurses and 96 (43%) intensivists responded to the survey. The consistency of the survey was found to be good (Cronbach's α scores between .87-.97, with a total explanatory power of 64.53%). Altogether, 57 crucial information needs for care coordination were found; 22 of which were shared between shift leaders. The most crucial of these information needs were related to organisation and management, patient admission, and allocation of staff resources. The associations between working experience, or shift leader acting frequencies, and crucial information needs were not statistically significant. However, a statistically significant difference was found between the number of ICU beds and the ICU experience of charge nurses with information needs, under the dimension of organisation and management of work. The information needs of charge nurses and intensivists differed. Charge nurses

  9. National survey focusing on the crucial information needs of intensive care charge nurses and intensivists: same goal, different demands

    Directory of Open Access Journals (Sweden)

    Lundgrén-Laine Heljä

    2013-01-01

    Full Text Available Abstract Background Although information technology adequately supports clinical care in many intensive care units (ICUs, it provides much poorer support for the managerial information needed to coordinate multi-professional care. To gain a general view of the most crucial multi-professional information needs of ICU shift leaders a national survey was conducted, focusing on the information needs of charge nurses and intensivists. Methods Based on our previous observation study an online survey was developed, containing 122 information need statements related to the decision-making of ICU shift leaders. Information need statements were divided into six dimensions: patient admission, organisation and management of work, allocation of staff and material resources, special treatments, and patient discharge. This survey involved all ICU shift leaders (n = 738 who worked in any of the 17 highest level ICUs for adults in university hospitals in Finland during the autumn of 2009. Both charge nurses’ and intensivists’ crucial information needs for care coordination were evaluated. Results Two hundred and fifty-seven (50% charge nurses and 96 (43% intensivists responded to the survey. The consistency of the survey was found to be good (Cronbach’s α scores between .87–.97, with a total explanatory power of 64.53%. Altogether, 57 crucial information needs for care coordination were found; 22 of which were shared between shift leaders. The most crucial of these information needs were related to organisation and management, patient admission, and allocation of staff resources. The associations between working experience, or shift leader acting frequencies, and crucial information needs were not statistically significant. However, a statistically significant difference was found between the number of ICU beds and the ICU experience of charge nurses with information needs, under the dimension of organisation and management of work. The information

  10. Co(II) Coordination in Prokaryotic Zinc Finger Domains as Revealed by UV-Vis Spectroscopy

    Science.gov (United States)

    Sivo, Valeria; D'Abrosca, Gianluca; Russo, Luigi; Iacovino, Rosa; Pedone, Paolo Vincenzo; Fattorusso, Roberto

    2017-01-01

    Co(II) electronic configuration allows its use as a spectroscopic probe in UV-Vis experiments to characterize the metal coordination sphere that is an essential component of the functional structure of zinc-binding proteins and to evaluate the metal ion affinities of these proteins. Here, exploiting the capability of the prokaryotic zinc finger to use different combinations of residues to properly coordinate the structural metal ion, we provide the UV-Vis characterization of Co(II) addition to Ros87 and its mutant Ros87_C27D which bears an unusual CysAspHis2 coordination sphere. Zinc finger sites containing only one cysteine have been infrequently characterized. We show for the CysAspHis2 coordination an intense d-d transition band, blue-shifted with respect to the Cys2His2 sphere. These data complemented by NMR and CD data demonstrate that the tetrahedral geometry of the metal site is retained also in the case of a single-cysteine coordination sphere. PMID:29386985

  11. Porous coordination polymer with flexibility imparted by coordinatively changeable lithium ions on the pore surface.

    Science.gov (United States)

    Xie, Lin-Hua; Lin, Jian-Bin; Liu, Xiao-Min; Wang, Yu; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming

    2010-02-01

    Solvothermal reactions of equimolar zinc acetate, lithium acetate, and 1,3,5-benzenetricarboxylic acid (H(3)btc) in different mixed solvents yielded isostructural three-dimensional frameworks [LiZn(btc)(cG)].lG [cG and lG denote coordinated and lattice guests, respectively; cG = (nmp)(0.5)(H(2)O)(0.5), lG = (EtOH)(0.5) (1a); cG = H(2)O, lG = EtOH (1b); nmp = N-methyl-2-pyrrolidone] with one-dimensional channels occupied by guest molecules and solvent-coordinated, extrusive Li(+) ions. Thermogravimetry analyses and powder X-ray diffraction measurements revealed that both 1a and 1b can lose all lattice and coordinated guests to form a desolvated phase [LiZn(btc)] (MCF-27, 1) and almost retains the original framework structure. Gas adsorption measurements on 1 confirmed its permanent porosity but suggested a structural transformation from 1a/1b to 1. It is noteworthy that only 1a can undergo a single-crystal to single-crystal (SCSC) transformation into 1 upon desolvation. The crystal structure of 1 revealed that the Li(+) ions were retracted into the channel walls via complementary coordination to the carboxylate oxygen atoms in the framework rather than being exposed on the pore surface. Single-crystal X-ray diffraction analyses were also performed for N(2)- and CO(2)-loaded samples of 1, revealing that the framework remained unchanged when the gases were adsorbed. Although the gas molecules could not be modeled, the residue electrons inside the channels demonstrated that the retracted Li(+) ions still behave as the primary interacting site for CO(2) molecules. Nevertheless, solvent molecules such as H(2)O can readily compete with the framework oxygen atom to retrieve the extrusive Li(+) ions, accompanying the reverse structural transformation, i.e., from 1 to 1a/1b.

  12. Collimator system for the stabilization of the dynamical residual-gas pressure in the heavy-ion synchrotron SIS18; Kollimatorsystem zur Stabilisierung des dynamischen Restgasdruckes im Schwerionensynchrotron SIS18

    Energy Technology Data Exchange (ETDEWEB)

    Omet, Carsten

    2009-01-15

    In order to achieve higher beam intensities of heavy ion beams in ring accelerators, low charge state ions can be used. By lowering the charge state, the space charge limit is shifted to higher particle numbers and stripping losses can be avoided. During test operation of the SIS18 at GSI with high intensity low charge state heavy ion beams, strong intensity dependent beam losses have been observed. It was found that these beam losses are originated to a large extent by the change of charge state of the circulating ions during collisions with residual gas atoms. The resulting deviation of m/q relative to the reference ion leads, in combination with dispersive elements in the ion optic lattice, to a modified trajectory, followed by the loss of the ion on the beam pipe. At the impact position, loosely bound residual gas molecules are released by ion stimulated desorption which increases the residual gas pressure locally. This pressure rise itself enhances the charge exchange rate, which can develop into a self amplifying process of pressure rise and subsequent beam loss. A method for the stabilization of the dynamic residual gas pressure is the use of special catcher systems, which minimize the production of desorption gases and remove them by strong pumping. Therefore, the pressure on the beam axis should remain as stable as possible. Other processes, e.g. Coulomb scattering of the beam ions by residual gas particles and unavoidable systematic beam losses can increase the gas pressure additionally. The pressure in the accelerator is further subjected to ionization of the residual gas atoms themselves, thermal out gassing of the beam pipes, insertions and pumps. In this work, a detailed numerical model of the interplay between the residual gas pressure dynamics in the accelerator, possible stabilization measures, e.g. by catchers and the resulting beam life time has been developed. The forecasted beam life times and pressures are verified by machine experiments, as

  13. Nonadiabatic charged spherical evolution in the postquasistatic approximation

    International Nuclear Information System (INIS)

    Rosales, L.; Barreto, W.; Peralta, C.; Rodriguez-Mueller, B.

    2010-01-01

    We apply the postquasistatic approximation, an iterative method for the evolution of self-gravitating spheres of matter, to study the evolution of dissipative and electrically charged distributions in general relativity. The numerical implementation of our approach leads to a solver which is globally second-order convergent. We evolve nonadiabatic distributions assuming an equation of state that accounts for the anisotropy induced by the electric charge. Dissipation is described by streaming-out or diffusion approximations. We match the interior solution, in noncomoving coordinates, with the Vaidya-Reissner-Nordstroem exterior solution. Two models are considered: (i) a Schwarzschild-like shell in the diffusion limit; and (ii) a Schwarzschild-like interior in the free-streaming limit. These toy models tell us something about the nature of the dissipative and electrically charged collapse. Diffusion stabilizes the gravitational collapse producing a spherical shell whose contraction is halted in a short characteristic hydrodynamic time. The streaming-out radiation provides a more efficient mechanism for emission of energy, redistributing the electric charge on the whole sphere, while the distribution collapses indefinitely with a longer hydrodynamic time scale.

  14. Charged particle track reconstruction using artificial neural networks

    International Nuclear Information System (INIS)

    Glover, C.; Fu, P.; Gabriel, T.; Handler, T.

    1992-01-01

    This paper summarizes the current state of our research in developing and applying artificial neural network (ANN) algorithm described here is based on a crude model of the retina. It takes as input the coordinates of each charged particle's interaction point (''hit'') in the tracking chamber. The algorithm's output is a set of vectors pointing to other hits that most likely to form a track

  15. Light charged particle emission in heavy-ion reactions – What have ...

    Indian Academy of Sciences (India)

    coincidence with gamma rays, fission products, evaporation residues have yielded interesting results which bring out the influence of nuclear structure, nuclear mean field and dynamics on the emission of these particles. Keywords. Light charged particles; heavy-ion induced reactions; particle spectra and angular distri-.

  16. Planar density of vacuum charge induced by a supercritical Coulomb potential

    Directory of Open Access Journals (Sweden)

    V.R. Khalilov

    2017-06-01

    Full Text Available Analytical expressions for the planar density of an induced vacuum charge are obtained in a strong Coulomb potential in coordinate space. Treatment is based on a self-adjoint extension approach for constructing of the Green's function of a charged fermion in an external electromagnetic field. Induced vacuum charge density is calculated and analyzed in subcritical and supercritical Coulomb potentials for massless and massive fermions. We argue that the virtual and so-called real vacuum polarizations contribute in an induced vacuum charge in a supercritical Coulomb potential. The behavior of the polarization vacuum charge density is investigated at long and short distances from the Coulomb center. The induced vacuum charge has a screening sign. Screening of a Coulomb impurity in graphene is briefly discussed. The real vacuum polarization charge density that acquires the quantum electrodynamics vacuum in a supercritical Coulomb potential due to the real vacuum polarization is calculated. It is shown that the vacuum charge densities essentially differ in massive and massless cases. We expect that our results can, as a matter of principle, be tested in graphene with a supercritical Coulomb impurity.

  17. Planar density of vacuum charge induced by a supercritical Coulomb potential

    Energy Technology Data Exchange (ETDEWEB)

    Khalilov, V.R., E-mail: khalilov@phys.msu.ru; Mamsurov, I.V.

    2017-06-10

    Analytical expressions for the planar density of an induced vacuum charge are obtained in a strong Coulomb potential in coordinate space. Treatment is based on a self-adjoint extension approach for constructing of the Green's function of a charged fermion in an external electromagnetic field. Induced vacuum charge density is calculated and analyzed in subcritical and supercritical Coulomb potentials for massless and massive fermions. We argue that the virtual and so-called real vacuum polarizations contribute in an induced vacuum charge in a supercritical Coulomb potential. The behavior of the polarization vacuum charge density is investigated at long and short distances from the Coulomb center. The induced vacuum charge has a screening sign. Screening of a Coulomb impurity in graphene is briefly discussed. The real vacuum polarization charge density that acquires the quantum electrodynamics vacuum in a supercritical Coulomb potential due to the real vacuum polarization is calculated. It is shown that the vacuum charge densities essentially differ in massive and massless cases. We expect that our results can, as a matter of principle, be tested in graphene with a supercritical Coulomb impurity.

  18. Maximizing Selective Cleavages at Aspartic Acid and Proline Residues for the Identification of Intact Proteins

    Science.gov (United States)

    Foreman, David J.; Dziekonski, Eric T.; McLuckey, Scott A.

    2018-04-01

    A new approach for the identification of intact proteins has been developed that relies on the generation of relatively few abundant products from specific cleavage sites. This strategy is intended to complement standard approaches that seek to generate many fragments relatively non-selectively. Specifically, this strategy seeks to maximize selective cleavage at aspartic acid and proline residues via collisional activation of precursor ions formed via electrospray ionization (ESI) under denaturing conditions. A statistical analysis of the SWISS-PROT database was used to predict the number of arginine residues for a given intact protein mass and predict a m/z range where the protein carries a similar charge to the number of arginine residues thereby enhancing cleavage at aspartic acid residues by limiting proton mobility. Cleavage at aspartic acid residues is predicted to be most favorable in the m/z range of 1500-2500, a range higher than that normally generated by ESI at low pH. Gas-phase proton transfer ion/ion reactions are therefore used for precursor ion concentration from relatively high charge states followed by ion isolation and subsequent generation of precursor ions within the optimal m/z range via a second proton transfer reaction step. It is shown that the majority of product ion abundance is concentrated into cleavages C-terminal to aspartic acid residues and N-terminal to proline residues for ions generated by this process. Implementation of a scoring system that weights both ion fragment type and ion fragment area demonstrated identification of standard proteins, ranging in mass from 8.5 to 29.0 kDa. [Figure not available: see fulltext.

  19. Manual of Standard Operating Procedures for Veterinary Drug Residue Analysis (Spanish Edition)

    International Nuclear Information System (INIS)

    2017-01-01

    Laboratories are crucial to national veterinary drug residue monitoring programmes. However, one of the main challenges laboratories encounter is obtaining access to relevant methods of analysis. Thus, in addition to training, providing technical advice and transferring technology, the Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture has resolved to develop clear and practical manuals to support Member State laboratories. The Coordinated Research Project (CRP) on Development of Radiometric and Allied Analytical Methods to Strengthen Residue Control Programs for Antibiotic and Anthelmintic Veterinary Drug Residues has developed a number of analytical methods as standard operating procedures (SOPs), which are now compiled here. This publication contains SOPs on chromatographic and spectrometric techniques, as well as radioimmunoassay and associated screening techniques, for various anthelmintic and antimicrobial veterinary drug residue analysis. Some analytical method validation protocols are also included. The publication is primarily aimed at food and environmental safety laboratories involved in testing veterinary drug residues, including under organized national residue monitoring programmes. It is expected to enhance laboratory capacity building and competence through the use of radiometric and complementary tools and techniques. The publication is also relevant for applied research on residues of veterinary drugs in food and environmental samples

  20. Manual of Standard Operating Procedures for Veterinary Drug Residue Analysis (French Edition)

    International Nuclear Information System (INIS)

    2017-01-01

    Laboratories are crucial to national veterinary drug residue monitoring programmes. However, one of the main challenges laboratories encounter is obtaining access to relevant methods of analysis. Thus, in addition to training, providing technical advice and transferring technology, the Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture has resolved to develop clear and practical manuals to support Member State laboratories. The Coordinated Research Project (CRP) on Development of Radiometric and Allied Analytical Methods to Strengthen Residue Control Programs for Antibiotic and Anthelmintic Veterinary Drug Residues has developed a number of analytical methods as standard operating procedures (SOPs), which are now compiled here. This publication contains SOPs on chromatographic and spectrometric techniques, as well as radioimmunoassay and associated screening techniques, for various anthelmintic and antimicrobial veterinary drug residue analysis. Some analytical method validation protocols are also included. The publication is primarily aimed at food and environmental safety laboratories involved in testing veterinary drug residues, including under organized national residue monitoring programmes. It is expected to enhance laboratory capacity building and competence through the use of radiometric and complementary tools and techniques. The publication is also relevant for applied research on residues of veterinary drugs in food and environmental samples

  1. Effect of conditioning by PAM polymers with different charges on the structural and characteristic evolutions of water treatment residuals.

    Science.gov (United States)

    Yan, W L; Wang, Y L; Chen, Y J

    2013-11-01

    Three types of polyacrylamide (PAM) flocculants with different charges (cationic PAM WD4960, nonionic PAM M351, and anionic PAM WDA110) were used for water treatment residuals (WTRs) conditioning, and the physicochemical, morphological and structural characteristics of raw and conditioned WTRs were investigated. Rheological methods were employed to analyze the internal structural transition between the raw and conditioned WTRs under a typical dosage of WD4960. Results showed that when the raw WTRs were conditioned with the polymers, the optimum dosage of WD4960 was 4.82 g/kg total suspended solid (TSS) while that of both M351 and WDA110 was 7.24 g/kg TSS. The residual PAM content in the supernatant of the WTR matrix conditioned at the optimum WD4960 dosage was 5.59 mg/L, which is the least among the supernatants obtained with the three types of PAM. Furthermore, the visible fulvic acid (FA) in the supernatant disappeared and the intensity of the ultraviolet FA decreased. The average diameter of irregularly shaped aggregates in the WTR suspensions increased from 35.73 μm to several hundred micrometers with increasing PAM dosage. The size of WTR aggregates conditioned at the optimum WD4960 dosage was much larger than that of aggregates obtained at the optimum M351 or WDA110 dosages. Two-dimensional fractal dimension (D2) values presented an increasing trend with increasing PAM dosage. D2 values of the conditioned WTR aggregates were 1.87, 1.76, and 1.83 at optimum WD4960, M351, and WDA110 dosages, respectively. The cationic PAM (CPAM) WD4960 thus appears to be a more ideal conditioner for WTRs. Consistent relationships were observed among the capillary suction time (CST), average particle size, and D2 values of the conditioned WTR aggregates at the optimum WD4960 dosage. Mass fractal dimensions (D(f)) indicated that both the raw and WD4960-conditioned WTRs behave like weak-link flocs/aggregates. D(f) values (log G'-log TSS) of the WTR aggregates before and after

  2. Reversal of negative charges on the surface of Escherichia coli thioredoxin: pockets versus protrusions.

    Science.gov (United States)

    Mancusso, Romina; Cruz, Eduardo; Cataldi, Marcela; Mendoza, Carla; Fuchs, James; Wang, Hsin; Yang, Xiaomin; Tasayco, María Luisa

    2004-04-06

    Recent studies of proteins with reversed charged residues have demonstrated that electrostatic interactions on the surface can contribute significantly to protein stability. We have used the approach of reversing negatively charged residues using Arg to evaluate the effect of the electrostatics context on the transition temperature (T(m)), the unfolding Gibbs free energy change (DeltaG), and the unfolding enthalpy change (DeltaH). We have reversed negatively charged residues at a pocket (Asp9) and protrusions (Asp10, Asp20, Glu85), all located in interconnecting segments between elements of secondary structure on the surface of Arg73Ala Escherichia coli thioredoxin. DSC measurements indicate that reversal of Asp in a pocket (Asp9Arg/Arg73Ala, DeltaT(m) = -7.3 degrees C) produces a larger effect in thermal stability than reversal at protrusions: Asp10Arg/Arg73Ala, DeltaT(m) = -3.1 degrees C, Asp20Arg/Arg73Ala, DeltaT(m) = 2.0 degrees C, Glu85Arg/Arg73Ala, DeltaT(m) = 3.9 degrees ). The 3D structure of thioredoxin indicates that Asp20 and Glu85 have no nearby charges within 8 A, while Asp9 does not only have Asp10 as sequential neighbor, but it also forms a 5-A long-range ion pair with the solvent-exposed Lys69. Further DSC measurements indicate that neutralization of the individual charges of the ion pair Asp9-Lys69 with nonpolar residues produces a significant decrease in stability in both cases: Asp9Ala/Arg73Ala, DeltaT(m) = -3.7 degrees C, Asp9Met/Arg73Ala, DeltaT(m) = -5.5 degrees C, Lys69Leu/Arg73Ala, DeltaT(m) = -5.1 degrees C. However, thermodynamic analysis shows that reversal or neutralization of Asp9 produces a 9-15% decrease in DeltaH, while both reversal of Asp at protrusions and neutralization of Lys69 produce negligible changes. These results correlate well with the NMR analysis, which demonstrates that only the substitution of Asp9 produces extensive conformational changes and these changes occur in the surroundings of Lys69. Our results led us to

  3. Coordinated Control Based on Bus-Signaling and Virtual Inertia for Islanded DC Microgrids

    DEFF Research Database (Denmark)

    Wu, Dan; Tang, Fen; Dragicevic, Tomislav

    2015-01-01

    A low-voltage DC islanded microgrid contains a number of renewable energy sources (RES), local loads, and energy storage systems (ESS). To avoid the over-charging and over-discharging situations of ESS, a coordinated control strategy should be used in DC islanded microgrids. In this paper, a nove...

  4. Pion-nucleus double charge exchange and the nuclear shell model

    International Nuclear Information System (INIS)

    Auerbach, N.; Gibbs, W.R.; Ginocchio, J.N.; Kaufmann, W.B.

    1988-01-01

    The pion-nucleus double charge exchange reaction is studied with special emphasis on nuclear structure. The reaction mechanism and nuclear structure aspects of the process are separated using both the plane-wave and distorted-wave impulse approximations. Predictions are made employing both the seniority model and a full shell model (with a single active orbit). Transitions to the double analog state and to the ground state of the residual nucleus are computed. The seniority model yields particularly simple relations among double charge exchange cross sections for nuclei within the same shell. Limitations of the seniority model and of the plane-wave impulse approximation are discussed as well as extensions to the generalized seniority scheme. Applications of the foregoing ideas to single charge exchange are also presented

  5. Coordination phenomena of cationic uranium(iv) complexes

    International Nuclear Information System (INIS)

    Rohwer, H.E.

    1974-12-01

    The coordination properties of the cationic uranium(IV) complexes UCl 3 + , UCl 2 2+ , UCl 3+ , and U 4+ were studied in a non-aqueous medium in the presence of perchlorate as counterion which, however, proved to coordinate to a much greater extent than expected. The strong neutral ligand, HMPA, could successively displace some of the perchlorates. An electrostatic model for the U(CIO 4 ) 4 -HMPA-acetone system compared favourably with the actual results. This emphasized the high ionic content in the bonding with actenoid cations, even with such a high charge as +4 . These conclusions are in agreement with studies 75 in which nitrate acts as counter ion. Correspondingly the uranium (IV) chemistry is characterized by the absence of typical 3d-organometallic chemistry, for example, strong bonding with CO, P(Phi) 3 etc, which strongly depends on covalent bonding. This stresses the fact that the d and f orbitals are not readily available for strong bond formation with the actenoids. 76

  6. Luminescence properties of copper(I), zinc(II) and cadmium(II) coordination compounds with picoline ligands

    Energy Technology Data Exchange (ETDEWEB)

    Małecki, Jan Grzegorz, E-mail: gmalecki@us.edu.pl; Maroń, Anna

    2017-06-15

    Mononuclear coordination compounds of copper(I) – [Cu(PPh{sub 3}){sub 2}(picoline)(NO{sub 3})], zinc(II) – [ZnCl{sub 2}(picoline){sub 2}] (picoline=3– and 4–methylpyridine) and polymeric cadmium(II) – [CdCl{sub 2}(β-picoline){sub 2}]{sub n} were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. Single crystal X-ray crystallography revealed distorted tetrahedral geometry around the central ions of the compounds. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. The emission of copper(I) compounds originated from metal-to-ligand charge transfer state combined with nitrato-to-picoline charge transfer state i.e. ({sup 1}(M+X)LCT). The presence of nitrato ligand in the coordination sphere of copper(I) compounds quenches the emission. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution). - Graphical abstract: Coordination compounds of copper(I), zinc(II) and polymeric cadmium(II) with picoline ligands were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. Emission of copper(I) compounds originated from {sup 1}(M+X)LCT state. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution).

  7. Carbaryl and monocrotophos residues in cottonseed products. Part of a coordinated programme on isotopic tracer-aided studies of chemical residues in cotton seed, feed, oil and related products

    International Nuclear Information System (INIS)

    Pablo, F.E.

    1981-03-01

    Cotton plants of Deltapine variety were treated with carbaryl (naphthyl-1- 14 C), (6.7 mg/plant) three times at two week intervals. Seeds were collected at maturity and 14 C-residues were determined in the oil and cake by standard procedures. 14 C-carbaryl and/or metabolite residues were 0.42 and 0.15 mg/kg in the crude oil and cake respectively. Parallel studies were conducted with spectrophotometric techniques using p-nitrobenzene diazonium fluoborate as chromogenic agent. Applications were made three times at a rate of 14 mg/plant. Residues in the crude oil and cake were found to be 0.83 and 0.04 mg/kg respectively. The higher residue level in the oil - compared to the radiometric technique - probably relates to higher application rates. Cotton plants of Deltapine variety were treated with (N-methyl- 14 C) monocrotophos (0.09 mg/plant) three times at two week intervals, as recommended for agricultural practice. Seeds were collected at maturity and standard procedures for extraction, clean-up and paper and thin-layer chromatography were adopted for the ultimate determination of residues in seed, oil and cake. Parallel experiments, using spectrophotometric techniques, were made for comparison. 14 C-residues of monocrotophos and/or metabolites in cottonseed, crude oil and cake were found to be 0.06, 0.12 and 0.05 mg/kg respectively. Corresponding data obtained by non-nuclear techniques were 0.18, 0.42 and 0.15 mg/kg respectively. The discrepancy between the two sets of results may be related to different rates of application: 0.3 mg and 0.09 mg/plant for non-nuclear and radiometric techniques respectively. Among the major metabolites identified in the cottonseed were dimethyl phosphate and O-desmethyl monocrotophos. N-demethylated monocrotophos and sugar conjugates were also identified

  8. Entrance channel dependent light-charged particle emission of the 156Er compound

    International Nuclear Information System (INIS)

    Liang, J.F.; Bierman, J.D.; Kelly, M.P.; Sonzogni, A.A.; Vandenbosch, R.; van Schagen, J.P.S.

    1996-01-01

    Light-charged particle decay from the 156 Er compound nucleus, populated by 12 C+ 144 Sm and 60 Ni+ 96 Zr at the same excitation energy, were measured in coincidence with the evaporation residues. The high energy slope of charged particle spectra for the 60 Ni-induced reaction is steeper than for the 12 C-induced reaction. Model calculations including particle evaporation during compound nucleus formation result in good agreement with the data. This suggests that the difference in the charged particle spectra between the two entrance channels is due to a longer formation time in the 60 Ni-induced reaction. 14 refs., 3 figs

  9. Synthesis, Structure and Properties of Two Novel 2D Zinc(II) Coordination Polymers based on Fluconazole and Benzene Carboxylic Acid

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Ganghong; Tang, Jingniu; Xu, Wenjia; Liang, Peng; Huang, Zhongjing [Guangxi University for Nationalities, Nanning (China)

    2013-12-15

    The design and synthesis of coordination polymers have aroused great interest owing to their intriguing aesthetic structures and potential applications in nonlinear optics, gas storage, ion exchange, luminescence, magnetism and catalysis. Self-assembly of bridging organic ligands (connectors) and multi-connected metal ions can give rise to various types of interesting coordination polymers. Since metal ion Zn(II) with d{sup 10} electronic configuration permits a variety of coordination numbers and geometries which are not dependent on ligand field stabilization but on ligand size and charge, it is well suited for the construction of various coordination polymers. Its borderline hardness allows the coordination of N, O and S donor atoms.

  10. Research within the coordinated programme on isotopic-tracer-aided studies of chemical residues in cotton seed, oil, feed and related products

    International Nuclear Information System (INIS)

    Qureshi, M.J.

    1981-06-01

    14 C-methyl and 14 C-ring-labelled carbaryl (1-naphthyl-N-methyl carbamate) were used to study the fate and magnitude of the insecticide in the plant and cotton seed products. Under conditions of actual agricultural practice, 0.08-0.09, 0.23-0.30 and 0.05 mg/kg of 14 C-residues were found in the seed, crude oil and cake respectively. In oil, the residue was resolved into 4 compounds, 2 identified as carbaryl and 1-naphthol. Residues from the soil did not exceed 0.3 mg/kg after the first week and declined to 0.1 mg/kg after 5 weeks. Parallel experiments were conducted under field conditions using 14 C-phenyl leptophos (4-bromo-2,5-dichlorophenyl methyl phenyl phosphorothioate). Leptophos residues were determined in the cotton seed products during 1975, 1976 and 1977, with mean values for leptophos residues in the cotton seed, crude oil and cake of 0.26, 1.10 and 0.07 mg/kg, respectively. Experiments with non-labelled monocrotophos [3-(dimethoxy phosphinyloxy)-N-methyl cis-crotonamide] gave residues of 0.30, 1.56 and 0.02 mg/kg in the seed, crude oil and cake, respectively. Carbaryl residues in two local maize varieties were determined by a colorimetric method. Cooking in aqueous, oil or aqueous-oil media led to 63-83% loss of carbaryl residues, after 30 minutes. Storage of corn oil for one year had essentially no effect on the concentration of carbaryl residues under laboratory conditions (presumably similar to regular storage conditions). An overall effect of simulated commercial processing procedures (saponification, deodorization and winterization) gave a loss of 70% of the original carbaryl in the oil. Commercial cooking procedures for national popular dishes resulted in near-complete elimination of carbaryl residues (up to 98%). Frying onions and potatoes in carbaryl-spiked corn oil for 3 min. up to 210 0 C resulted in 55-60% loss of the residue

  11. Agrochemical residue-biota interactions in soil and aquatic ecosystems

    International Nuclear Information System (INIS)

    1980-01-01

    Two FAO/IAEA coordinated research programmes are concerned with isotopic tracer-aided studies of agrochemical residue-biota interactions in soils and aquatic ecosystems. They currently involve 18 studies in 14 countries: Brazil, Canada, Egypt, F.R. Germany, Hungary, India, Indonesia, Iraq, Israel, Malaysia, Thailand, Turkey, USA and USSR. The aim was to develop, standardize and apply labelled substrate techniques for comparative assays of primary autotrophic and microheterotrophic production and decay, and complementary tracer techniques to determine the fate, persistence and bioconcentration of trace contaminants. Comparable data were studied concerning the current status of water bodies and likely changes due to contaminants. Soil capacity to decompose undesirable contaminants and residues, and to promote desirable transformations were studied. The techniques were also applied as a diagnostic and prognostic tool, with priority given to rice ecosystems

  12. Crystal structure of Helicobacter pylori neutrophil-activating protein with a di-nuclear ferroxidase center in a zinc or cadmium-bound form

    Energy Technology Data Exchange (ETDEWEB)

    Yokoyama, Hideshi, E-mail: h-yokoya@u-shizuoka-ken.ac.jp [School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526 (Japan); Tsuruta, Osamu; Akao, Naoya; Fujii, Satoshi [School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526 (Japan)

    2012-06-15

    Highlights: Black-Right-Pointing-Pointer Structures of a metal-bound Helicobacter pylori neutrophil-activating protein were determined. Black-Right-Pointing-Pointer Two zinc ions were tetrahedrally coordinated by ferroxidase center (FOC) residues. Black-Right-Pointing-Pointer Two cadmium ions were coordinated in a trigonal-bipyramidal and octahedral manner. Black-Right-Pointing-Pointer The second metal ion was more weakly coordinated than the first at the FOC. Black-Right-Pointing-Pointer A zinc ion was found in one negatively-charged pore suitable as an ion path. -- Abstract: Helicobacter pylori neutrophil-activating protein (HP-NAP) is a Dps-like iron storage protein forming a dodecameric shell, and promotes adhesion of neutrophils to endothelial cells. The crystal structure of HP-NAP in a Zn{sup 2+}- or Cd{sup 2+}-bound form reveals the binding of two zinc or two cadmium ions and their bridged water molecule at the ferroxidase center (FOC). The two zinc ions are coordinated in a tetrahedral manner to the conserved residues among HP-NAP and Dps proteins. The two cadmium ions are coordinated in a trigonal-bipyramidal and distorted octahedral manner. In both structures, the second ion is more weakly coordinated than the first. Another zinc ion is found inside of the negatively-charged threefold-related pore, which is suitable for metal ions to pass through.

  13. RANDOM FUNCTIONS AND INTERVAL METHOD FOR PREDICTING THE RESIDUAL RESOURCE OF BUILDING STRUCTURES

    Directory of Open Access Journals (Sweden)

    Shmelev Gennadiy Dmitrievich

    2017-11-01

    Full Text Available Subject: possibility of using random functions and interval prediction method for estimating the residual life of building structures in the currently used buildings. Research objectives: coordination of ranges of values to develop predictions and random functions that characterize the processes being predicted. Materials and methods: when performing this research, the method of random functions and the method of interval prediction were used. Results: in the course of this work, the basic properties of random functions, including the properties of families of random functions, are studied. The coordination of time-varying impacts and loads on building structures is considered from the viewpoint of their influence on structures and representation of the structures’ behavior in the form of random functions. Several models of random functions are proposed for predicting individual parameters of structures. For each of the proposed models, its scope of application is defined. The article notes that the considered approach of forecasting has been used many times at various sites. In addition, the available results allowed the authors to develop a methodology for assessing the technical condition and residual life of building structures for the currently used facilities. Conclusions: we studied the possibility of using random functions and processes for the purposes of forecasting the residual service lives of structures in buildings and engineering constructions. We considered the possibility of using an interval forecasting approach to estimate changes in defining parameters of building structures and their technical condition. A comprehensive technique for forecasting the residual life of building structures using the interval approach is proposed.

  14. Water Tree Influence on Space Charge Distribution and on the Residual Electric Field in Polyethylene Insulation

    Directory of Open Access Journals (Sweden)

    Cristina Stancu

    2009-10-01

    Full Text Available A computation method of the electricfield and ionic space charge density in planeinsulations with water trees (using a ComsolMultiphysics software and the thermal step currents(Im(t measured with Thermal Step Method ispresented. A parabolic spatial variation of volumecharge density, an exponential spatial variation ofthe electric permittivity ε and a linear dependency ofε and the temperature coefficient of permittivity αεwith the average water concentration in trees, areconsidered. For a water tree with a known length,different values of charge density are consideredand the electric field and the thermal step currentsIc(t are calculated. The currents Ic(t and Im(t arecompared and the volume of charge density andelectric field for which Ic(t is identical with Im(t arekept.

  15. Carbon Nanotubes Facilitate Oxidation of Cysteine Residues of Proteins.

    Science.gov (United States)

    Hirano, Atsushi; Kameda, Tomoshi; Wada, Momoyo; Tanaka, Takeshi; Kataura, Hiromichi

    2017-10-19

    The adsorption of proteins onto nanoparticles such as carbon nanotubes (CNTs) governs the early stages of nanoparticle uptake into biological systems. Previous studies regarding these adsorption processes have primarily focused on the physical interactions between proteins and nanoparticles. In this study, using reduced lysozyme and intact human serum albumin in aqueous solutions, we demonstrated that CNTs interact chemically with proteins. The CNTs induce the oxidation of cysteine residues of the proteins, which is accounted for by charge transfer from the sulfhydryl groups of the cysteine residues to the CNTs. The redox reaction simultaneously suppresses the intermolecular association of proteins via disulfide bonds. These results suggest that CNTs can affect the folding and oxidation degree of proteins in biological systems such as blood and cytosol.

  16. Extended hormone binding site of the human thyroid stimulating hormone receptor: distinctive acidic residues in the hinge region are involved in bovine thyroid stimulating hormone binding and receptor activation.

    Science.gov (United States)

    Mueller, Sandra; Kleinau, Gunnar; Jaeschke, Holger; Paschke, Ralf; Krause, Gerd

    2008-06-27

    The human thyroid stimulating hormone receptor (hTSHR) belongs to the glycoprotein hormone receptors that bind the hormones at their large extracellular domain. The extracellular hinge region of the TSHR connects the N-terminal leucine-rich repeat domain with the membrane-spanning serpentine domain. From previous studies we reasoned that apart from hormone binding at the leucine-rich repeat domain, additional multiple hormone contacts might exist at the hinge region of the TSHR by complementary charge-charge recognition. Here we investigated highly conserved charged residues in the hinge region of the TSHR by site-directed mutagenesis to identify amino acids interacting with bovine TSH (bTSH). Indeed, the residues Glu-297, Glu-303, and Asp-382 in the TSHR hinge region are essential for bTSH binding and partially for signal transduction. Side chain substitutions showed that the negative charge of Glu-297 and Asp-382 is necessary for recognition of bTSH by the hTSHR. Multiple combinations of alanine mutants of the identified positions revealed an increased negative effect on hormone binding. An assembled model suggests that the deciphered acidic residues form negatively charged patches at the hinge region resulting in an extended binding mode for bTSH on the hTSHR. Our data indicate that certain positively charged residues of bTSH might be involved in interaction with the identified negatively charged amino acids of the hTSHR hinge region. We demonstrate that the hinge region represents an extracellular intermediate connector for both hormone binding and signal transduction of the hTSHR.

  17. Radiotracer studies of fungicide residues in food plants

    International Nuclear Information System (INIS)

    1990-04-01

    Agricultural fungicides are chemicals used on seeds, crops and in soils throughout the growing season. Fungicide treatments may lead to various levels of chemical residues in food commodities. Primary emphasis has been placed on ethylenebisdithiocarbamates (EBDCs), an important group of agrofungicides used in preparations for spraying or dusting major crops such as apples, pears, broccoli, cabbages, egg plants, cauliflower, grapes, lettuce, peppers, celery, cucumbers and tomatoes. Treatments with EBDCs result in terminal residues containing ethylenthiourea (ETU). This is a toxicologically significant decomposition product which has attracted considerable attention in recent years due to indications of its potential goitrogenic and carcinogenic properties. In recognition of the need for a coordinated examination of ETU levels in food, particularly under tropical conditions, the program of radiotracer techniques as a tool for studying fungicide residue problems on food was initiated in 1984. In current studies, three EBDCs, maneb, zineb and mancozeb from different manufacturers in different countries were analysed. This report describes the model protocols (Annexes I, II and III) as they were set up for determination of residues in commodities and soil, using radiotracer and conventional chromatographic techniques . In the 16 papers presented in this report C 14 -labelled EBDCs are determined in plants, vegetables, and soils, before and after cooking, as a function of time and of other agricultural parameters. Refs, figs and tabs

  18. Au-HKUST-1 Composite Nanocapsules: Synthesis with a Coordination Replication Strategy and Catalysis on CO Oxidation.

    Science.gov (United States)

    Liu, Yongxin; Zhang, Jiali; Song, Lingxiao; Xu, Wenyuan; Guo, Zanru; Yang, Xiaomin; Wu, Xiaoxin; Chen, Xi

    2016-09-07

    A novel coordination replication of Cu2O redox-template strategy is reported to efficiently fabricate Au-HKUST-1 composite nanocapsule, with a HKUST-1 sandwich shell and an embedded Au nanoparticles layer. The novel synthesis procedure involves forming Au nanoparticles on the surface of Cu2O, transforming partial Cu2O into HKUST-1 shell via coordination replication, and removing the residual Cu2O by acid. The as-prepared Au-HKUST-1 composite nanocapsules displayed high catalytic activity on CO oxidation.

  19. Non-Faradaic Li + Migration and Chemical Coordination across Solid-State Battery Interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Gittleson, Forrest S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); El Gabaly, Farid [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2017-10-17

    Efficient and reversible charge transfer is essential to realizing high-performance solid-state batteries. Efforts to enhance charge transfer at critical electrode–electrolyte interfaces have proven successful, yet interfacial chemistry and its impact on cell function remains poorly understood. Using X-ray photoelectron spectroscopy combined with electrochemical techniques, we elucidate chemical coordination near the LiCoO2–LIPON interface, providing experimental validation of space-charge separation. Space-charge layers, defined by local enrichment and depletion of charges, have previously been theorized and modeled, but the unique chemistry of solid-state battery interfaces is now revealed. Here we highlight the non-Faradaic migration of Li+ ions from the electrode to the electrolyte, which reduces reversible cathodic capacity by ~15%. Inserting a thin, ion-conducting LiNbO3 interlayer between the electrode and electrolyte, however, can reduce space-charge separation, mitigate the loss of Li+ from LiCoO2, and return cathodic capacity to its theoretical value. This work illustrates the importance of interfacial chemistry in understanding and improving solid-state batteries.

  20. Residual nilpotence and residual solubility of groups

    International Nuclear Information System (INIS)

    Mikhailov, R V

    2005-01-01

    The properties of the residual nilpotence and the residual solubility of groups are studied. The main objects under investigation are the class of residually nilpotent groups such that each central extension of these groups is also residually nilpotent and the class of residually soluble groups such that each Abelian extension of these groups is residually soluble. Various examples of groups not belonging to these classes are constructed by homological methods and methods of the theory of modules over group rings. Several applications of the theory under consideration are presented and problems concerning the residual nilpotence of one-relator groups are considered.

  1. Bibliography of integral charged-particle nuclear data

    International Nuclear Information System (INIS)

    Burrows, T.W.; Wyant, G.

    1981-03-01

    This publication is the first supplement to the archival edition of the National Nuclear Data Center's charged-particle bibliography. This supplement contains citations to all references scanned since March 15, 1980, and all corrections and additions to previous citations, and indexes all data received in the international exchanged format (EXFOR). The primary goal of the bibliography has been to satisfy the need expressed by the Nuclear Reaction Data Center Network for a concise and comprehensive bibliography of integral charged-particle cross section data and to provide an index of data exchanged among the members. As a result of a recommendation by the recent Workshop on Intense High Energy Neutron Source and Their Characteristics, we have also undertaken to expand the coverage of charged-particle-induced neutron-source reactions to include differential data. This supplement is divided into two sections, References and Isotope Production. The References section contains all references satisfying the criteria noted. The Isotope Production section contains an abbreviated reference line for all entries which contain information on a definite residual nucleus, on particle production, or on mass, charge, or isotopic distributions. Entries in the References section are sequentially numbered. These sequence numbers serve as a link between the two sections

  2. Sensitive and Specific Guest Recognition through Pyridinium-Modification in Spindle-Like Coordination Containers.

    Science.gov (United States)

    Bhuvaneswari, Nagarajan; Dai, Feng-Rong; Chen, Zhong-Ning

    2018-05-02

    An elaborately designed pyridinium-functionalized octanuclear zinc(II) coordination container 1-Zn was prepared through the self-assembly of Zn 2+ , p-tert-butylsulfonylcalix[4]arene, and pyridinium-functionalized angular flexible dicarboxylate linker (H 2 BrL1). The structure was determined by a single-crystal X-ray diffractometer. 1-Zn displays highly sensitive and specific recognition to 2-picolylamine as revealed by drastic blueshifts of the absorption and emission spectra, ascribed to the decrease of intramolecular charge transfer (ICT) character of the container and the occurrence of intermolecular charge transfer between the host and guest molecules. The intramolecular charge transfer plays a key role in the modulation of the electronic properties and is tunable through endo-encapsulation of specific guest molecules. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Integration, Configuration and Coordination: from Project to Reality, at CERN

    CERN Document Server

    Barberan Marin, Maria; Bernardini, Marzia; Birtwistle, Thomas; Chemli, Samy; Corso, Jean-Pierre; Coupard, Julie; Foraz, Katy; Grillot, Serge; Muttoni, Yvon; Perrot, Anne-Laure

    2016-01-01

    The rigorous process in place at CERN to approve and follow-up the implementation of any modification of the LHC machine and its Injectors is presented in this paper. Our methodology implies the support of three teams, in charge of the configuration management, the scheduling and safety coordination, and the 3D integration studies. At each stage of the project the support of the three teams evolves, to provide the adequate support in the preparation phase and during the technical stops and long shutdowns. The formal roles and the processes used to govern the interaction of the Integration, Configuration and Coordination teams, and their relation to the project teams during the preparation and implementation phases, for activities to be performed in LHC and its injector chain are described and discussed.

  4. Low-energy particle production and residual nuclei production from high-energy hadron-nucleus collisions

    International Nuclear Information System (INIS)

    Alsmiller, F.S.; Alsmiller, R.G. Jr.; Hermann, O.W.

    1987-01-01

    The high-energy hadron-nucleus collision model, EVENTQ, has been modified to include a calculation of the excitation and kinetic energy of the residual compound nucleus. The specific purpose of the modification is to make it possible to use the model in the high-energy radiation transport code, HETC, which, in conjunction with MORSE, is used to transport the low energy particles. It is assumed that the nucleons in the nucleus move in a one-dimensional potential well and have the momentum distribution of a degenerate Fermi gas. The low energy particles produced by the deexcitation of the residual compound nucleus, and the final residual nucleus, are determined from an evaporation model. Comparisons of multiplicities and residual nuclei distributions with experimental data are given. The ''grey'' particles, i.e., charged particles with 0.25 < β < 0.7, are in good agreement with experimental data but the residual nuclei distributions are not. 12 refs., 3 figs

  5. Capacity Decline and Characteristics Changes of Lithium-ion Cells with Large Capacity during Trickle Charge at High Temperature

    Science.gov (United States)

    Matsushima, Toshio

    Large-scale 40-Ah Li-ion cells have been developed for use in industrial applications. To contribute to techniques for ascertaining the state of these cells and detecting deterioration during actual use, we produce a cell whose capacity is reduced by trickle charging at high temperature, and we determine the relationship between the cell's properties such as its capacity and charging/discharging characteristics when the capacity is reduced. When the capacity of a Li-ion cell is reduced, the discharge voltage also decreases. We show that the residual capacity is well correlated to the discharge voltage and to the duration of continuous discharge before reaching a fixed end-voltage. We also show that the constant-current constant-voltage charging characteristics are maintained even when the capacity is degraded, and that the constant-current charging time and discharge voltage are closely related to the residual capacity. We confirm that the reaction coefficient of the capacity degradation formula can be calculated from the capacity change characteristics at multiple temperatures, and that an 8°C change in temperature causes the lifetime to decrease by half.

  6. Impact of charged amino acid substitution in the transmembrane domain of L-alanine exporter, AlaE, of Escherichia coli on the L-alanine export.

    Science.gov (United States)

    Kim, Seryoung; Ihara, Kohei; Katsube, Satoshi; Ando, Tasuke; Isogai, Emiko; Yoneyama, Hiroshi

    2017-01-01

    The Escherichia coli alaE gene encodes the L-alanine exporter, AlaE, that catalyzes active export of L-alanine using proton electrochemical potential. The transporter comprises only 149 amino acid residues and four predicted transmembrane domains (TMs), which contain three charged amino acid residues. The AlaE-deficient L-alanine non-metabolizing cells (ΔalaE cells) appeared hypersusceptible to L-alanyl-L-alanine showing a minimum inhibitory concentration (MIC) of 2.5 µg/ml for the dipeptide due to a toxic accumulation of L-alanine. To elucidate the mechanism by which AlaE exports L-alanine, we replaced charged amino acid residues in the TMs, glutamic acid-30 (TM-I), arginine-45 (TM-II), and aspartic acid-84 (TM-III) with their respective charge-conserved amino acid or a net neutral cysteine. The ΔalaE cells producing R45K or R45C appeared hypersusceptible to the dipeptide, indicating that arginine-45 is essential for AlaE activity. MIC of the dipeptide in the ΔalaE cells expressing E30D and E30C was 156 µg/ml and >10,000 µg/ml, respectively, thereby suggesting that a negative charge at this position is not essential. The ΔalaE cells expressing D84E or D84C showed an MIC >10,000 and 78 µg/ml, respectively, implying that a negative charge is required at this position. These results were generally consistent with that of the L-alanine accumulation experiments in intact cells. We therefore concluded that charged amino acid residues (R45 and D84) in the AlaE transmembrane domain play a pivotal role in L-alanine export. Replacement of three cysteine residues at C22, C28 (both in TM-I), and C135 (C-terminal region) with alanine showed only a marginal effect on L-alanine export.

  7. Who's minding the charge description master?

    Science.gov (United States)

    Schaum, Kathleen D

    2011-11-01

    Just as it takes a team to manage chronic wounds, it takes a team to maintain the CDM. The technical staff from the wound care department should be represented on this team and should share the appropriate HCPCS codes and CPT codes, product descriptions, and costs for all procedures, services, supplies, drugs, and biologics used in their department. The billing department should ensure that the appropriate revenue codes for each payer are listed for each item on the CDM. Based on costs supplied by the wound care department, the finance department should consistently assign hospital charges to each line item on the CDM. The information technology department is responsible for making the specific changes to the CDM in the computer system. Most hospitals have a CDM coordinator. The technical staff from the wound care department should work closely with the CDM coordinator and should obtain from him/her the policies and procedures for maintaining the wound care department CDM. Most CDM coordinators will also provide a CDM Change Request Form. Use that form each year when the hospital is performing its annual CDM maintenance and throughout the year to add procedures, services, supplies, drugs, or biologics to your wound care offerings and/or when the cost for these offerings change.

  8. Charged particle cross-section database for medical radioisotope production: diagnostic radioisotopes and monitor reactions. Final report of a co-ordinated research project

    International Nuclear Information System (INIS)

    2001-05-01

    Medical applications of nuclear radiation are of considerable interest to the IAEA. Cyclotrons and accelerators, available in recent years in an increasing number of countries, are being used for the production of radioisotopes for both diagnostic and therapeutic purposes. The physical basis of this production is described through interaction of charged particles, such as protons, deuterons and alphas, with matter. These processes have to be well understood in order to produce radioisotopes in an efficient and clean manner. In addition to medical radioisotope production, reactions with low energy charged particles are of primary importance for two major applications. Techniques of ion beam analysis use many specific reactions to identify material properties, and in nuclear astrophysics there is interest in numerous reaction rates to understand nucleosynthesis in the Universe. A large number of medically oriented cyclotrons have been running in North America, western Europe and Japan for more than two decades. In recent years, 30-40 MeV cyclotrons and smaller cyclotrons (E p < 20 MeV) have been installed in several countries. Although the production methods are well established, there are no evaluated and recommended nuclear data sets available. The need for standardization was thus imminent. This was pointed out at three IAEA meetings. Based on the recommendations made at these meetings, the IAEA decided to undertake and organize the Co-ordinated Research Project (CRP) on Development of Reference Charged Particle Cross-Section Database for Medical Radioisotope Production. The project was initiated in 1995. It focused on radioisotopes for diagnostic purposes and on the related beam monitor reactions in order to meet current needs. It constituted the first major international effort dedicated to standardization of nuclear data for radioisotope production. It covered the following areas: Compilation of data on the most important reactions for monitoring light ion

  9. Search for fractional charge

    International Nuclear Information System (INIS)

    Turner, R.E.

    1984-01-01

    A search was made for fractional charges of the form Z plus two-thirds e, where Z is an integer. It was assumed that the charges exist in natural form bound with other fractional charges in neutral molecules. It was further assumed that these neutral molecules are present in air. Two concentration schemes were employed. One sample was derived from the waste gases from a xenon distillation plant. This assumes that high mass, low vapor pressure components of air are concentrated along with the xenon. The second sample involved ionizing air, allowing a brief recombination period, and then collecting residual ions on the surface of titanium discs. Both samples were analyzed at the University of Rochester in a system using a tandem Van de Graff to accelerate particles through an essentially electrostatic beam handling system. The detector system employed both a Time of Flight and an energy-sensitive gas ionization detector. In the most sensitive mode of analysis, a gas absorber was inserted in the beam path to block the intense background. The presence of an absorber limited the search to highly penetrating particles. Effectively, this limited the search to particles with low Z and masses greater than roughly fifty GeV. The final sensitivities attained were on the order of 1 x 10 -20 for the ionized air sample and 1 x 10 -21 for the gas sample. A discussion of the caveats that could reduce the actual level of sensitivity is included

  10. Explicit symplectic algorithms based on generating functions for charged particle dynamics

    Science.gov (United States)

    Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

    2016-07-01

    Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.

  11. Radiotracer studies of pesticide residues in edible oil seeds and related products

    International Nuclear Information System (INIS)

    1979-01-01

    Ten papers were presented in which chemical pollution due to insecticides was examined in edible oil seeds and their products. They include hexachlorocyclohexane residues in groundnut; carbaryl in groundnut; maize and cotton seed products, and in lactating goats; propoxur in cocoa beans; and leptophos residues in cotton seed and its products and in lactating goats. Eight of these papers constitute separate INIS entries. Egypt, Ghana, India, Korea, Lebanon, Pakistan, the Philippines, Poland, and the Sudan participated under the coordinated research programme. The progress of the programme is reviewed, and problems and priorities for future development of the programme are identified. A number of recommendations are addressed to the Joint FAO/IAEA Secretariat

  12. Nature of the Charged-Group Effect on the Stability of the C-Peptide Helix

    Science.gov (United States)

    Shoemaker, Kevin R.; Kim, Peter S.; Brems, David N.; Marqusee, Susan; York, Eunice J.; Chaiken, Irwin M.; Stewart, John M.; Baldwin, Robert L.

    1985-04-01

    The residues responsible for the pH-dependent stability of the helix formed by the isolated C-peptide (residues 1-13 of ribonuclease A) have been identified by chemical synthesis of analogues and measurement of their helix-forming properties. Each of the residues ionizing between pH 2 and pH 8 has been replaced separately by an uncharged residue. Protonation of Glu-2- is responsible for the sharp decrease in helix stability between pH 5 and pH 2, and deprotonation of His-12+ causes a similar decrease between pH 5 and pH 8. Glu-9- is not needed for helix stability. The results cannot be explained by the Zimm-Bragg model and host-guest data for α -helix formation, which predict that the stability of the C-peptide helix should increase when Glu-2- is protonated or when His-12+ is deprotonated. Moreover, histidine+ is a strong helix-breaker in host-guest studies. In proteins, acidic and basic residues tend to occur at opposite ends of α -helices: acidic residues occur preferentially near the NH2-terminal end and basic residues near the COOH-terminal end. A possible explanation, based on a helix dipole model, has been given [Blagdon, D. E. & Goodman, M. (1975) Biopolymers 14, 241-245]. Our results are consistent with the helix dipole model and they support the suggestion that the distribution of charged residues in protein helices reflects the helix-stabilizing propensity of those residues. Because Glu-9 is not needed for helix stability, a possible Glu-9-\\cdots His-12+ salt bridge does not contribute significantly to helix stability. The role of a possible Glu-2-\\cdots Arg-10+ salt bridge has not yet been evaluated. A charged-group effect on α -helix stability in water has also been observed in a different peptide system [Ihara, S., Ooi, T. & Takahashi, S. (1982) Biopolymers 21, 131-145]: block copolymers containing (Ala)20 and (Glu)20 show partial helix formation at low temperatures, pH 7.5, where the glutamic acid residues are ionized. (Glu)20(Ala)20Phe forms a

  13. Study of a nickel-copper filter for the future conditioning of insoluble residues

    Energy Technology Data Exchange (ETDEWEB)

    Massoni, Nicolas, E-mail: nicolas.massoni@cea.fr

    2016-10-15

    This paper deals with the feasibility of a separate conditioning for insoluble residues coming from spent nuclear fuel reprocessing. The two possible conditioning routes considered for insoluble residues were (i) added with cladding hulls with the considered filter (route #1) or (ii) melted with a nickel copper alloy already studied (route #2). Only route #2 was dealt with in this study. In France, the current practice is to store insoluble residues in a water suspension. For the two conditioning routes described here, dry insoluble residues are required for safety with melted metals. A nickel-copper filter was developed that can serve for the two types of conditioning. A filtration test performed with molybdenum particles as insoluble residue surrogates was done. The particle-charged filter was sintered, and Mo particles were kept inside the filter. Thus an integrated flowsheet for the filtration and immobilization of insoluble residues was demonstrated. - Highlights: • The basics for an integrated flowsheet for the filtration and immobilization of insoluble residues were demonstrated. • The filter can serve as an immobilization matrix or can be added in another metal waste. • A theoretical calculation has shown that the conception of the filter should be done to avoid an excessive heat-up.

  14. Committee on Interagency Radiation Research and Policy Coordination second annual report, July 1, 1985--June 30, 1986

    Energy Technology Data Exchange (ETDEWEB)

    Young, A.L.

    1996-06-30

    This is the second annual report of the Committee on Interagency Radiation Research and Policy Coordination (CIRRPC). CIRRPC was established on April 9, 1984, to replace the Committee on Interagency Radiation Policy and was assigned responsibilities of the former Interagency Radiation Research Committee and former Radiation Policy Council. CIRRPC is chartered under the Federal Coordinating Council for Science, Engineering and Technology (FCCSET) and reports to the Office of Science and Technology Policy (OSTP), Executive Office of the President. Its overall charge is to coordinate radiation matters between agencies, evaluate radiation research, and provide advice on the formulation of radiation policy. During CIRRPC`s second year, the member agencies have called upon this interagency resource to assist in coordinating science and policy issues and to provide a vehicle to accomplish multiagency tasks.

  15. Committee on Interagency Radiation Research and Policy Coordination second annual report, July 1, 1985--June 30, 1986

    International Nuclear Information System (INIS)

    Young, A.L.

    1996-01-01

    This is the second annual report of the Committee on Interagency Radiation Research and Policy Coordination (CIRRPC). CIRRPC was established on April 9, 1984, to replace the Committee on Interagency Radiation Policy and was assigned responsibilities of the former Interagency Radiation Research Committee and former Radiation Policy Council. CIRRPC is chartered under the Federal Coordinating Council for Science, Engineering and Technology (FCCSET) and reports to the Office of Science and Technology Policy (OSTP), Executive Office of the President. Its overall charge is to coordinate radiation matters between agencies, evaluate radiation research, and provide advice on the formulation of radiation policy. During CIRRPC's second year, the member agencies have called upon this interagency resource to assist in coordinating science and policy issues and to provide a vehicle to accomplish multiagency tasks

  16. Reactive Power Support of Electrical Vehicle Charging Station Upgraded with Flywheel Energy Storage System

    DEFF Research Database (Denmark)

    SUN, BO; Dragicevic, Tomislav; Savaghebi, Mehdi

    2015-01-01

    Electrical vehicles (EVs) are presenting increasingly potential to replace the conventional fossil fuel based vehicles due to environmental friendly characteristic. Accordingly, Charging Stations (CS), as an intermediate between grid and large numbers of EVs, are supposed to have more critical...... influence on future smart transportation network. This paper explores an off-board charging station upgraded with flywheel energy storage system that could provide a reactive power support to the grid utility. A supervisory control scheme based on distributed bus signaling is proposed to coordinate...... the operation of each component in the system. As a result, the charging station could supply the reactive power support to the utility grid without compromising the charging algorithm and preserve the battery’s lifetime. Finally, the real-time simulation results based on dSPACE1006 verifies the proposed...

  17. Efficiency of Livestock Residue Treatment in Geomembrane Digesters

    Directory of Open Access Journals (Sweden)

    Yanet Pérez González

    2017-09-01

    Full Text Available The efficiency of twelve 10 m3 geomembrane biodigesters to treat swine and cattle residuals was assessed. The study took place at the Cooperative of Credits and Services (CCS of the municipality of Cumanayagua, Cienfuegos, Cuba. Its goal was to evaluate feasibility of technology implementation in Cuba. The effluent physical and chemical indicators were determined at entry and exit from biodigesters. The biodigesters charged with pig manure were able to remove 75.88% COD, and up to 66-44% SS. Besides, 64.79% of the contaminating organic load was converted into volatile products during biofermentation. Meanwhile, the biodigesters charged with cattle manure removed 60.42% of COD, and up to 67.67% of SS; 61.51% of the organic contaminating load was converted in volatile products. It was concluded that the biodigesters had acceptable efficiency values, and that the technology can be applied in Cuba.

  18. Propoxur (2-iso propoxy-phenyl-N-methylcarbamate) residues in cocoa beans. Part of a coordinated programme on isotopic-tracer aided studies of chemical residues in cotton seed, feed, oil and related products

    International Nuclear Information System (INIS)

    Adomako, D.

    1982-05-01

    Pod-bearing Amazon and Amelonado cocoa plants were sprayed with Unden 20% (propoxur, arprocarb, baygon) at the recommended rate of 210 g a.i./ha and twice the recommended rate at monthly intervals from July to October 1976, and cured beans from the ripe pods analysed for propoxur residues by gas chromatography. In a radiotracer study with 14 C-labelled propoxur, the effect of processing methods on residues and systemic uptake of propoxur from insecticide deposits on pod surfaces were also investigated. Residues did not exceed 0.03 mg/kg. There was no relationship between residues and harvesting time, cocoa type or rate of application. Contamination of beans with insecticide deposits on the pod surface during processing, and systemic uptake of insecticide from pod surfaces were negligible. Experiments were also designed to provide data on 14 C-propoxur residues in cocoa beans, uptake of the chemical from pod surfaces and persistence on the leaves and in the soil. Leaves were picked from the lowest five branches of the cocoa trees, 13 months after the application of 14 C-propoxur, dried at 80 0 for 4 days, stored and analysed for their 14 C-activity. Soil samples were collected at 15 cm and 30 cm distances from the trunk base of treated trees, dried, stored and analysed. The analytical procedure involved extraction and clean-up steps after a standard method using acetone, chloroform and a coagulating agent. Propoxur residues in cocoa leaves collected 13 months after the insecticide application ranged from 0.01 to 0.04 mg/kg. Residues in shells from cocoa pods treated with 14 C-propoxur 2 months prior to harvest did not exceed 0.02 mg/kg. Propoxur residues in soil samples collected at 6, 16, and 19 months following application ranged from 0.01 to 0.03 mg/kg. These low levels are probably related to volatilization and heavy rains. Possible binding to soil cannot be precluded. The low levels of propoxur are unlikely to present any toxicological hazard to humans

  19. Presence of fucosyl residues on the oligosaccharide antennae of membrane glycopeptides of human neuroblastoma cells

    International Nuclear Information System (INIS)

    Santer, U.V.; Glick, M.C.

    1983-01-01

    Fucosyl residues linked alpha 1 leads to 3 or 4 to N-acetylglucosamine were found in large amounts on glycopeptides from the membranes of human tumor cells of neurectodermal origin but not on membrane glycopeptides from human fibroblasts. The fucosyl residues were detected by release of radioactive fucose from the glycopeptides with an almond alpha-L-fucosidase specific for fucosyl alpha 1 leads to 3(4)-N-acetylglucosamine. In other studies, the linkage was shown to be alpha 1 leads to 3 by nuclear magnetic resonance analysis. Glycopeptides containing these fucosyl residues from four human neuroblastoma cell lines were defined by binding to immobilized lectins. In addition, the glycopeptides from one human neuroblastoma cell line, CHP-134, were further characterized by enzyme degradation and columns calibrated for size and charge. The antennary position of fucosyl alpha 1 leads to 3-N-acetylglucosamine on the glycopeptides was demonstrated by the use of exoglycosidases and endoglycosidase D, since complete degradation to yield fucosyl-N-acetylglucosaminylasparagine was obtained only after treatment with almond alpha-L-fucosidase prior to the sequential degradation. Fucosyl alpha 1 leads to 3-N-acetylglucosamine was present on most size and charge classes of membrane glycopeptides and therefore was not limited to a few glycoproteins. Since the almond alpha-L-fucosidase cleaves fucosyl residues from glycoproteins, the physiological effects of the increased specific fucosylation on human tumors of neurectodermal origin can be examined

  20. The conserved residue Arg46 in the N-terminal heptad repeat domain of HIV-1 gp41 is critical for viral fusion and entry.

    Directory of Open Access Journals (Sweden)

    Xiaoyi Wang

    Full Text Available During the process of HIV-1 fusion with the target cell, the N-terminal heptad repeat (NHR of gp41 interacts with the C-terminal heptad repeat (CHR to form fusogenic six-helix bundle (6-HB core. We previously identified a crucial residue for 6-HB formation and virus entry--Lys63 (K63 in the C-terminal region of NHR (aa 54-70, which forms a hydrophobic cavity. It can form an important salt bridge with Asp121 (D121 in gp41 CHR. Here, we found another important conserved residue for virus fusion and entry, Arg46 (R46, in the N-terminal region of NHR (aa 35-53, which forms a hydrogen bond with a polar residue, Asn43 (N43, in NHR, as a part of the hydrogen-bond network. R46 can also form a salt bridge with a negatively charged residue, Glu137 (E137, in gp41 CHR. Substitution of R46 with the hydrophobic residue Ala (R46A or the negatively charged residue Glu (R46E resulted in disruption of the hydrogen bond network, breakage of the salt bridge and reduction of 6-HB's stability, leading to impairment of viral fusion and decreased inhibition of N36, an NHR peptide. Similarly, CHR peptide C34 with substitution of E137 for Ala (E137A or Arg (E137R also exhibited reduced inhibitory activity against HIV-1 infection and HIV-1-mediated cell-to-cell fusion. These results suggest that the positively charged residue R46 and its hydrogen bond network, together with the salt bridge between R46 and E137, are important for viral fusion and entry and may therefore serve as a target for designing novel HIV fusion/entry inhibitors.

  1. Quadratic residues and non-residues selected topics

    CERN Document Server

    Wright, Steve

    2016-01-01

    This book offers an account of the classical theory of quadratic residues and non-residues with the goal of using that theory as a lens through which to view the development of some of the fundamental methods employed in modern elementary, algebraic, and analytic number theory. The first three chapters present some basic facts and the history of quadratic residues and non-residues and discuss various proofs of the Law of Quadratic Reciprosity in depth, with an emphasis on the six proofs that Gauss published. The remaining seven chapters explore some interesting applications of the Law of Quadratic Reciprocity, prove some results concerning the distribution and arithmetic structure of quadratic residues and non-residues, provide a detailed proof of Dirichlet’s Class-Number Formula, and discuss the question of whether quadratic residues are randomly distributed. The text is a valuable resource for graduate and advanced undergraduate students as well as for mathematicians interested in number theory.

  2. Prediction of Active Site and Distal Residues in E. coli DNA Polymerase III alpha Polymerase Activity.

    Science.gov (United States)

    Parasuram, Ramya; Coulther, Timothy A; Hollander, Judith M; Keston-Smith, Elise; Ondrechen, Mary Jo; Beuning, Penny J

    2018-02-20

    The process of DNA replication is carried out with high efficiency and accuracy by DNA polymerases. The replicative polymerase in E. coli is DNA Pol III, which is a complex of 10 different subunits that coordinates simultaneous replication on the leading and lagging strands. The 1160-residue Pol III alpha subunit is responsible for the polymerase activity and copies DNA accurately, making one error per 10 5 nucleotide incorporations. The goal of this research is to determine the residues that contribute to the activity of the polymerase subunit. Homology modeling and the computational methods of THEMATICS and POOL were used to predict functionally important amino acid residues through their computed chemical properties. Site-directed mutagenesis and biochemical assays were used to validate these predictions. Primer extension, steady-state single-nucleotide incorporation kinetics, and thermal denaturation assays were performed to understand the contribution of these residues to the function of the polymerase. This work shows that the top 15 residues predicted by POOL, a set that includes the three previously known catalytic aspartate residues, seven remote residues, plus five previously unexplored first-layer residues, are important for function. Six previously unidentified residues, R362, D405, K553, Y686, E688, and H760, are each essential to Pol III activity; three additional residues, Y340, R390, and K758, play important roles in activity.

  3. Incentive-based coordinated charging control of plug-in electric vehicles at the distribution-transformer level

    NARCIS (Netherlands)

    Hermans, R.M.; Almassalkhi, M.R.; Hiskens, I.A.

    2012-01-01

    Distribution utilities are becoming increasingly aware that their networks may struggle to accommodate large numbers of plug-in electric vehicles (PEVs). In particular, uncoordinated overnight charging is expected to be problematic, as the corresponding aggregated power demand exceeds the capacity

  4. Crystal Structures and Physical Properties of Ag(I) Coordination Polymers with Unsymmetrical Dipyridyl Ligand

    International Nuclear Information System (INIS)

    Lee, Eunji; Ryu, Hyunsoo; Park, Kimin

    2013-01-01

    Three Ag(I) coordination polymers with the formula [Ag(L)]·(X)·(DMSO) n (X = ClO 4 (1), BF 4 (2), and PF 6 (3), and L = dipyridyl ligand) were prepared and characterized fully their structures. All three compounds are isostructures and stable 2-D honeycomb type coordination polymers, in which 1-D zigzag chains with -(Ag-L)- motif are linked by the argentophilic interactions and the π···π stacking interactions between pyridine rings. The investigation on photophysical properties of all compounds shows that the nature of emission can be attributed to the metal-to-ligand charge transfer as well as the formation of the polymeric structures with restriction of the flexibility of the free ligand. Based on the present solid state results, further investigation on the development and characterization of new coordination polymers using flexible unsymmetrical ligand is in progress. During last two decades, silver coordination polymers based on dipyridyl type ligands have attracted particular interest because of the various intriguing architectures caused by a variety of coordination geometry of Ag(I) ion as well as their potential applications as functional materials

  5. Coordinating Group report

    International Nuclear Information System (INIS)

    1994-01-01

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

  6. Elemental quantification of large gunshot residues

    Energy Technology Data Exchange (ETDEWEB)

    Duarte, A. [Ion Implantation Laboratory, Institute of Physics, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, P.O. Box 15051, CEP 91501-970 Porto Alegre, RS (Brazil); Graduate Program on Materials Science, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, CEP 91540-000 Porto Alegre, RS (Brazil); Silva, L.M. [Ion Implantation Laboratory, Institute of Physics, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, P.O. Box 15051, CEP 91501-970 Porto Alegre, RS (Brazil); Graduate Program on Materials Science, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, CEP 91540-000 Porto Alegre, RS (Brazil); Forensic Institute of Porto Alegre, Av. Princesa Isabel 1056, CEP 90230-010 Porto Alegre, RS (Brazil); Souza, C.T. de; Stori, E.M. [Ion Implantation Laboratory, Institute of Physics, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, P.O. Box 15051, CEP 91501-970 Porto Alegre, RS (Brazil); Boufleur, L.A. [Ion Implantation Laboratory, Institute of Physics, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, P.O. Box 15051, CEP 91501-970 Porto Alegre, RS (Brazil); Graduate Program on Materials Science, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, CEP 91540-000 Porto Alegre, RS (Brazil); Amaral, L. [Ion Implantation Laboratory, Institute of Physics, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, P.O. Box 15051, CEP 91501-970 Porto Alegre, RS (Brazil); and others

    2015-04-01

    In the present work we embarked on the evaluation of the Sb/Pb, Ba/Pb and Sb/Ba elemental ratios found in relatively large particles (of the order of 50–150 μm across) ejected in the forward direction when a gun is fired. These particles are commonly referred to as gunshot residues (GSR). The aim of this work is to compare the elemental ratios of the GSR with those found in the primer of pristine cartridges in order to check for possible correlations. To that end, the elemental concentration of gunshot residues and the respective ammunition were investigated through PIXE (Particle-Induced X-ray Emission) and micro-PIXE techniques. The ammunition consisted of a .38 SPL caliber (ogival lead type) charged in a Taurus revolver. Pristine cartridges were taken apart for the PIXE measurements. The shooting sessions were carried out in a restricted area at the Forensic Institute at Porto Alegre. Residues ejected at forward directions were collected on a microporous tape. The PIXE experiments were carried out employing 2.0 MeV proton beams with a beam spot size of 1 mm{sup 2}. For the micro-PIXE experiments, the samples were irradiated with 2.2 MeV proton beams of 2 × 2 μm{sup 2}. The results found for the ratios of Sb/Pb, Ba/Pb and Sb/Ba do not correlate with those stemming from the analysis of the primer.

  7. Elemental quantification of large gunshot residues

    International Nuclear Information System (INIS)

    Duarte, A.; Silva, L.M.; Souza, C.T. de; Stori, E.M.; Boufleur, L.A.; Amaral, L.

    2015-01-01

    In the present work we embarked on the evaluation of the Sb/Pb, Ba/Pb and Sb/Ba elemental ratios found in relatively large particles (of the order of 50–150 μm across) ejected in the forward direction when a gun is fired. These particles are commonly referred to as gunshot residues (GSR). The aim of this work is to compare the elemental ratios of the GSR with those found in the primer of pristine cartridges in order to check for possible correlations. To that end, the elemental concentration of gunshot residues and the respective ammunition were investigated through PIXE (Particle-Induced X-ray Emission) and micro-PIXE techniques. The ammunition consisted of a .38 SPL caliber (ogival lead type) charged in a Taurus revolver. Pristine cartridges were taken apart for the PIXE measurements. The shooting sessions were carried out in a restricted area at the Forensic Institute at Porto Alegre. Residues ejected at forward directions were collected on a microporous tape. The PIXE experiments were carried out employing 2.0 MeV proton beams with a beam spot size of 1 mm 2 . For the micro-PIXE experiments, the samples were irradiated with 2.2 MeV proton beams of 2 × 2 μm 2 . The results found for the ratios of Sb/Pb, Ba/Pb and Sb/Ba do not correlate with those stemming from the analysis of the primer

  8. Residual stress measurement of EB-welded plates with contour method. Part 2: FEM analysis of contour profiles

    International Nuclear Information System (INIS)

    Romppanen, A.-J.; Immonen, E.

    2013-12-01

    The residual stresses formed as a result of Electronic Beam welding (EB-welding) in copper are investigated by Posiva. In the present study, residual stresses of EB-welded copper plates were studied with contour method. In the method eleven copper plates (X436 - X440 and X453 - X458) were cut in half with wire electric discharge machining (EDM) after which the deformation due to stress relaxation was measured with coordinate measurement system. The measured data was then used as boundary displacement data for the FEM analyses, in which the corresponding residual stresses were calculated. Before giving the corresponding displacement boundary conditions to the FE models, the deformation data was processed and smoothed appropriately. The residual stress levels of the copper plates were found to be around 40 - 55 MPa at maximum. This corresponds to other reported residual stress measurements and current state of knowledge with this material in Posiva. (orig.)

  9. Charge division in a small proportional chamber constructed with aluminized mylar tubes

    International Nuclear Information System (INIS)

    Biino, C.; Mussa, R.; Palestini, S.; Pastrone, N.; Pesando, L.

    1988-01-01

    A tracking detector composed of aluminized mylar drift tubes is under development for the Fermilab experiment 760. A prototype chamber has been constructed. Results on the longitudinal coordinate determined by charge division are given. Spatial resolution values below 2 mm (rms) were found, corresponding to <1% of the chamber length. Results on chamber ageing are also discussed. (orig.)

  10. Charge division in a small proportional chamber constructed with aluminized mylar tubes

    Science.gov (United States)

    Biino, C.; Mussa, R.; Palestini, S.; Pastrone, N.; Pesando, L.

    1988-09-01

    A tracking detector composed of aluminized mylar drift tubes is under development for the Fermilab experiment 760. A prototype chamber has been constructed. Results on the longitudinal coordinate determined by charge division are given. Spatial resolution values below 2 mm (rms) were found, corresponding to <1% of the chamber length. Results on chamber ageing are also discussed.

  11. Surface charges for gravity and electromagnetism in the first order formalism

    Science.gov (United States)

    Frodden, Ernesto; Hidalgo, Diego

    2018-02-01

    A new derivation of surface charges for 3  +  1 gravity coupled to electromagnetism is obtained. Gravity theory is written in the tetrad-connection variables. The general derivation starts from the Lagrangian, and uses the covariant symplectic formalism in the language of forms. For gauge theories, surface charges disentangle physical from gauge symmetries through the use of Noether identities and the exactness symmetry condition. The surface charges are quasilocal, explicitly coordinate independent, gauge invariant and background independent. For a black hole family solution, the surface charge conservation implies the first law of black hole mechanics. As a check, we show the first law for an electrically charged, rotating black hole with an asymptotically constant curvature (the Kerr–Newman (anti-)de Sitter family). The charges, including the would-be mass term appearing in the first law, are quasilocal. No reference to the asymptotic structure of the spacetime nor the boundary conditions is required and therefore topological terms do not play a rôle. Finally, surface charge formulae for Lovelock gravity coupled to electromagnetism are exhibited, generalizing the one derived in a recent work by Barnich et al Proc. Workshop ‘ About Various Kinds of Interactions’ in honour of Philippe Spindel (4–5 June 2015, Mons, Belgium) C15-06-04 (2016 (arXiv:1611.01777 [gr-qc])). The two different symplectic methods to define surface charges are compared and shown equivalent.

  12. Poisson Coordinates.

    Science.gov (United States)

    Li, Xian-Ying; Hu, Shi-Min

    2013-02-01

    Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

  13. Solar Wind Charge Exchange During Geomagnetic Storms

    Science.gov (United States)

    Robertson, Ina P.; Cravens, Thomas E.; Sibeck, David G.; Collier, Michael R.; Kuntz, K. D.

    2012-01-01

    On March 31st. 2001, a coronal mass ejection pushed the subsolar magnetopause to the vicinity of geosynchronous orbit at 6.6 RE. The NASA/GSFC Community Coordinated Modeling Center (CCMe) employed a global magnetohydrodynamic (MHD) model to simulate the solar wind-magnetosphere interaction during the peak of this geomagnetic storm. Robertson et aL then modeled the expected 50ft X-ray emission due to solar wind charge exchange with geocoronal neutrals in the dayside cusp and magnetosheath. The locations of the bow shock, magnetopause and cusps were clearly evident in their simulations. Another geomagnetic storm took place on July 14, 2000 (Bastille Day). We again modeled X-ray emission due to solar wind charge exchange, but this time as observed from a moving spacecraft. This paper discusses the impact of spacecraft location on observed X-ray emission and the degree to which the locations of the bow shock and magnetopause can be detected in images.

  14. Charging of dust grains in a plasma with negative ions

    Science.gov (United States)

    Kim, Su-Hyun; Merlino, Robert L.

    2006-05-01

    The effect of negative ions on the charging of dust particles in a plasma is investigated experimentally. A plasma containing a very low percentage of electrons is formed in a single-ended SF6 is admitted into the vacuum system. The relatively cold (Te≈0.2eV ) readily attach to SF6 molecules to form SF6- negative ions. Calculations of the dust charge indicate that for electrons, negative ions, and positive ions of comparable temperatures, the charge (or surface potential) of the dust can be positive if the positive ion mass is smaller than the negative ion mass and if ɛ, the ratio of the electron to positive ion density, is sufficiently small. The K+ positive ions (mass 39amu) and SF6- negative ions (mass 146amu), and also utilizes a rotating cylinder to dispense dust into the plasma column. Analysis of the current-voltage characteristics of a Langmuir probe in the dusty plasma shows evidence for the reduction in the (magnitude) of the negative dust charge and the transition to positively charged dust as the relative concentration of the residual electrons is reduced. Some remarks are offered concerning experiments that could become possible in a dusty plasma with positive grains.

  15. Characterization and correction of charge-induced pixel shifts in DECam

    Energy Technology Data Exchange (ETDEWEB)

    Gruen, D.; Bernstein, G. M.; Jarvis, M.; Rowe, B.; Vikram, V.; Plazas, A. A.; Seitz, S.

    2015-05-01

    Interaction of charges in CCDs with the already accumulated charge distribution causes both a flux dependence of the point-spread function (an increase of observed size with flux, also known as the brighter/fatter effect) and pixel-to-pixel correlations of the {Poissonian} noise in flat fields. We describe these effects in the Dark Energy Camera (DECam) with charge dependent shifts of effective pixel borders, i.e. the Antilogus et al. (2014) model, which we fit to measurements of flat-field {Poissonian} noise correlations. The latter fall off approximately as a power-law r(-)(2.5) with pixel separation r, are isotropic except for an asymmetry in the direct neighbors along rows and columns, are stable in time, and are weakly dependent on wavelength. They show variations from chip to chip at the 20% level that correlate with the silicon resistivity. The charge shifts predicted by the model cause biased shape measurements, primarily due to their effect on bright stars, at levels exceeding weak lensing science requirements. We measure the flux dependence of star images and show that the effect can be mitigated by applying the reverse charge shifts at the pixel level during image processing. Differences in stellar size, however, remain significant due to residuals at larger distance from the centroid.

  16. Dust grain charges in a nuclear-track plasma and the formation of dynamic vortex dust structures

    International Nuclear Information System (INIS)

    Rykov, V.A.; Khudyakov, A.V.; Filinov, V.S.; Vladimirov, V.I.; Deputatova, L.V.; Krutov, D.V.; Nefedov, A.P.; Fortov, V.E.

    2002-01-01

    Results are presented from Monte Carlo calculations of the electric charge of dust grains in a plasma produced during the slowing down of the radioactive decay products of californium nuclei in neon. The dust grain charging is explained for the first time as being due to the drift of electrons and ions in an external electric field. It is shown that the charges of the grains depend on their coordinates and strongly fluctuate with time. The time-averaged grain charges agree with the experimental data obtained on ordered liquidlike dust structures in a nuclear-track plasma. The time-averaged dust grain charges are used to carry out computer modeling of the formation of dynamic vortex structures observed in experiments. Evidence is obtained of the fact that the electrostatic forces experienced by the dust grains are potential in character

  17. Heuristic Storage System Sizing for Optimal Operation of Electric Vehicles Powered by Photovoltaic Charging Station

    Directory of Open Access Journals (Sweden)

    Erik Blasius

    2016-01-01

    Full Text Available This paper discusses the utilisation of PV systems for electric vehicles charging for transportation requirements of smart cities. The gap between PV power output and vehicles charging demand is highly variable. Therefore, there is a need for additional support from a public distribution grid or a storage device in order to handle the residual power. Long term measurement data retrieved from a charging station for 15 vehicles equipped with a PV system were used in the research. Low and high irradiation seasons influenced the PV output. The charging demand of electric vehicles varied over the course of a year and was correlated to weather conditions. Therefore, the sizing and performance of a supportive storage device should be evaluated in a statistical manner using long period observations.

  18. Net charge fluctuations and local charge compensation

    International Nuclear Information System (INIS)

    Fu Jinghua

    2006-01-01

    We propose net charge fluctuation as a measure of local charge correlation length. It is demonstrated that, in terms of a schematic multiperipheral model, net charge fluctuation satisfies the same Quigg-Thomas relation as satisfied by charge transfer fluctuation. Net charge fluctuations measured in finite rapidity windows depend on both the local charge correlation length and the size of the observation window. When the observation window is larger than the local charge correlation length, the net charge fluctuation only depends on the local charge correlation length, while forward-backward charge fluctuations always have strong dependence on the observation window size. Net charge fluctuations and forward-backward charge fluctuations measured in the present heavy ion experiments show characteristic features similar to those from multiperipheral models. But the data cannot all be understood within this simple model

  19. Charge exchange induced X-ray transitions of hollow ions in laser field ionized plasmas

    International Nuclear Information System (INIS)

    Rosmej, F.B.; Hoffmann, D.H.H.; Faenov, A. Ya.; Pikuz, T.A.; Magunov, A.I.; Skobelev, I.Yu.; Auguste, T.; D'Oliveira, P.; Hulin, S.; Monot, P.

    2000-01-01

    Double electron charge exchange is proposed for the formation of hollow He-like ions when laser field ionized nuclei penetrate into the residual gas. Using transitions from different configurations in hollow ions a method for the determination of the electron temperature in the long lasting recombination phase is developed

  20. The load shift potential of plug-in electric vehicles with different amounts of charging infrastructure

    Science.gov (United States)

    Gnann, Till; Klingler, Anna-Lena; Kühnbach, Matthias

    2018-06-01

    Plug-in electric vehicles are the currently favoured option to decarbonize the passenger car sector. However, a decarbonisation is only possible with electricity from renewable energies and plug-in electric vehicles might cause peak loads if they started to charge at the same time. Both these issues could be solved with coordinated load shifting (demand response). Previous studies analyzed this research question by focusing on private vehicles with domestic and work charging infrastructure. This study additionally includes the important early adopter group of commercial fleet vehicles and reflects the impact of domestic, commercial, work and public charging. For this purpose, two models are combined. In a comparison of three scenarios, we find that charging of commercial vehicles does not inflict evening load peaks in the same magnitude as purely domestic charging of private cars does. Also for private cars, charging at work occurs during the day and may reduce the necessity of load shifting while public charging plays a less important role in total charging demand as well as load shifting potential. Nonetheless, demand response reduces the system load by about 2.2 GW or 2.8% when domestic and work charging are considered compared to a scenario with only domestic charging.

  1. Charge-exchange-induced formation of hollow atoms in high-intensity laser-produced plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Rosmej, F.B. [TU-Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Faenov, A.Ya.; Pikuz, T.A.; Magunov, A.I.; Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo (Russian Federation); Auguste, T.; D' Oliveira, P.; Hulin, S.; Monot, P. [Commissariat a lEnergie Atomique DSM/DRECAM/SPAM, Gif-Sur-Yvette Cedex (France); Andreev, N.E.; Chegotov, M.V.; Veisman, M.E. [High Energy Density Research Centre, Institute of High Temperatures of Russian Academy of Sciences, Moscow (Russian Federation)

    1999-03-14

    For the first time registration of high-resolution soft x-ray emission and atomic data calculations of hollow-atom dielectronic satellite spectra of highly charged nitrogen have been performed. Double-electron charge-exchange processes from excited states are proposed for the formation of autoionizing levels nln'l' in high-intensity laser-produced plasmas, when field-ionized ions penetrate into the residual gas. Good agreement is found between theory and experiment. Plasma spectroscopy with hollow ions is proposed and a temperature diagnostic for laser-produced plasmas in the long-lasting recombining regime is developed. (author). Letter-to-the-editor.

  2. Coordination chemistry with phosphine and phosphine oxide-substituted hydroxyferrocenes.

    Science.gov (United States)

    Atkinson, Robert C J; Gibson, Vernon C; Long, Nicholas J; White, Andrew J P

    2010-08-28

    New unsymmetrical hydroxyferrocenes were synthesised from dibromoferrocene. The oxygen heteroatom was introduced via lithiation and quenching with bis-trimethylsilylperoxide followed by hydrolysis to unmask the hydroxyl functionality. The coordination chemistry of 1'-(diphenylphosphino)-1-hydroxyferrocene 2 was explored with palladium and rhodium precursors. A dinuclear palladium methyl complex with bridging ferrocenyloxo groups was obtained from the reaction between 2 and (cyclooctadiene)methylchloropalladium(II). With tetracarbonyldichlorodirhodium(I), two complexes were isolated. The major product was a bis ligand cis phosphine ligated complex with one ligand bound in a chelating mode and one with a pendant hydroxyl group. A minor product was crystallographically characterised as a dinuclear ferrocenyloxo-bridged rhodium carbonyl complex. The coordination chemistry of 2 and the corresponding phosphine oxide 3 was examined with group 4 metals and the resulting complexes examined as ethylene polymerisation catalysts. The ligands were found to bind in either a chelating fashion or with pendant phosphine donors. In all cases, low to moderately active ethylene polymerisation catalysts were found. The catalysts were very unstable and catalyst residues were observed in the isolated polymer indicating a short catalyst lifetime.

  3. Monitoring of a Wind Turbine Rotor using a Multi-blade Coordinate Framework

    OpenAIRE

    Henriksen, Lars Christian; Niemann, Hans Henrik; Poulsen, Niels Kjølstad

    2012-01-01

    In this paper a method to detect asymmetric faults in a wind turbine rotor is presented. The paper describes how fault diagnosis using an observer-based residual generator approach is able to distinguish between the nominal and faulty case by the injection of e.g. a sinusoidal excitation signal into the system. In the case of a wind turbine, an excitation signal is automatically generated by the rotation of the rotor in a turbulent wind eld. Using the multi-blade coordinate transformation, th...

  4. Power transmission charges based on nodal pricing which considers restriction on power transmission; Soden setsuyaku wo koryoshita nodaru pricing ni motozuku soden ryokin

    Energy Technology Data Exchange (ETDEWEB)

    Okada, K.; Asano, H. [Central Research Institute of Electric Power Industry, Tokyo (Japan); Matsukawa, I. [Musashi University, Tokyo (Japan)

    1997-01-30

    Power transmission charges were derived by using nodal pricing, and a discussion was given on what effects are given on system conditions, nodal price and consignment charge by how coordination points of independent power producers (IPP) and power demand are handled. A test model having six nodes (busbars) and eleven branches (transmission lines) was used. Since demands of the same kind are hypothesized to be coordinated in this simulation, the total nodal price becomes an equivalent value if there is no restrictions in transmission line current. If the transmission restrictions are taken into consideration, demand amounts at each node are so adjusted that excess current in a transmission line exceeding the transmission capacity will be eliminated. Thus, the demand-supply balancing amount in the entire system becomes smaller than when restrictions are not considered. As a result of the analysis, the IPP coordination points have possibilities to cause congestion (overload current) in the system, raise nodal price at each point, and sharply raise the consignment charge. It was found that an effect may also occur to a node depending on position of demand generation. 6 refs., 3 figs., 7 tabs.

  5. Development of highly accurate approximate scheme for computing the charge transfer integral

    Energy Technology Data Exchange (ETDEWEB)

    Pershin, Anton; Szalay, Péter G. [Laboratory for Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest (Hungary)

    2015-08-21

    The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.

  6. Pair Distribution Function Analysis of Structural Disorder by Nb5+ Inclusion in Ceria: Evidence for Enhanced Oxygen Storage Capacity from Under-Coordinated Oxide.

    Science.gov (United States)

    Hiley, Craig I; Playford, Helen Y; Fisher, Janet M; Felix, Noelia Cortes; Thompsett, David; Kashtiban, Reza J; Walton, Richard I

    2018-02-07

    Partial substitution of Ce 4+ by Nb 5+ is possible in CeO 2 by coinclusion of Na + to balance the charge, via hydrothermal synthesis in sodium hydroxide solution. Pair distribution function analysis using reverse Monte Carlo refinement reveals that the small pentavalent substituent resides in irregular coordination positions in an average fluorite lattice, displaced away from the ideal cubic coordination toward four oxygens. This results in under-coordinated oxygen, which explains significantly enhanced oxygen storage capacity of the materials of relevance to redox catalysis used in energy and environmental applications.

  7. Residues of PCDDs and PCDFs in human milk samples in Ahmedabad, India

    Energy Technology Data Exchange (ETDEWEB)

    Kashyap, R.; Bhatnagar, V.; Sadhu, H.; Jhamb, N.; Karanjkar, R.; Saiyed, H. [National Inst. of Occupational Health, Ahmedabad (India)

    2004-09-15

    Polychlorinated dibenzo-p-dioxins (PCDDs) and Polychlorinated dibenzo furans (PCDFs) represent a class of organic environmental pollutants. They are unwanted byproduct of incineration, uncontrolled burning and certain industrial processes. They are persistent in nature and bioaccumulates through food chain. These are hazardous to human health and environment. The residues of these toxicants have been detected in human adipose tissue, blood and milk. WHO has coordinated two rounds of follow up studies on levels of PCDD/Fs and PCBs in human milk and the data shows a decreasing trend during the last 30 years. However, in India there is no data available on the exposure and residues of these contaminants. This study presents first time the levels of dioxin and furans in human milk samples collected from the Ahmedabad city in India.

  8. Hamiltonian thermodynamics of charged three-dimensional dilatonic black holes

    International Nuclear Information System (INIS)

    Dias, Goncalo A. S.; Lemos, Jose P. S.

    2008-01-01

    The action for a class of three-dimensional dilaton-gravity theories, with an electromagnetic Maxwell field and a cosmological constant, can be recast in a Brans-Dicke-Maxwell type action, with its free ω parameter. For a negative cosmological constant, these theories have static, electrically charged, and spherically symmetric black hole solutions. Those theories with well formulated asymptotics are studied through a Hamiltonian formalism, and their thermodynamical properties are found out. The theories studied are general relativity (ω→±∞), a dimensionally reduced cylindrical four-dimensional general relativity theory (ω=0), and a theory representing a class of theories (ω=-3), all with a Maxwell term. The Hamiltonian formalism is set up in three dimensions through foliations on the right region of the Carter-Penrose diagram, with the bifurcation 1-sphere as the left boundary, and anti-de Sitter infinity as the right boundary. The metric functions on the foliated hypersurfaces and the radial component of the vector potential one-form are the canonical coordinates. The Hamiltonian action is written, the Hamiltonian being a sum of constraints. One finds a new action which yields an unconstrained theory with two pairs of canonical coordinates (M,P M ;Q,P Q ), where M is the mass parameter, which for ω M is the conjugate momenta of M, Q is the charge parameter, and P Q is its conjugate momentum. The resulting Hamiltonian is a sum of boundary terms only. A quantization of the theory is performed. The Schroedinger evolution operator is constructed, the trace is taken, and the partition function of the grand canonical ensemble is obtained, where the chemical potential is the scalar electric field φ. Like the uncharged cases studied previously, the charged black hole entropies differ, in general, from the usual quarter of the horizon area due to the dilaton.

  9. Self-assembled via axial coordination magnesium porphyrin-imidazole appended fullerene dyad: spectroscopic, electrochemical, computational, and photochemical studies.

    Science.gov (United States)

    D'Souza, Francis; El-Khouly, Mohamed E; Gadde, Suresh; McCarty, Amy L; Karr, Paul A; Zandler, Melvin E; Araki, Yasuyaki; Ito, Osamu

    2005-05-26

    Spectroscopic, redox, and electron transfer reactions of a self-assembled donor-acceptor dyad formed by axial coordination of magnesium meso-tetraphenylporphyrin (MgTPP) and fulleropyrrolidine appended with an imidazole coordinating ligand (C(60)Im) were investigated. Spectroscopic studies revealed the formation of a 1:1 C(60)Im:MgTPP supramolecular complex, and the anticipated 1:2 complex could not be observed because of the needed large amounts of the axial coordinating ligand. The formation constant, K(1), for the 1:1 complex was found to be (1.5 +/- 0.3) x 10(4) M(-1), suggesting fairly stable complex formation. The geometric and electronic structures of the dyads were probed by ab initio B3LYP/3-21G() methods. The majority of the highest occupied frontier molecular orbital (HOMO) was found to be located on the MgTPP entity, while the lowest unoccupied molecular orbital (LUMO) was on the fullerene entity, suggesting that the charge-separated state of the supramolecular complex is C(60)Im(*-):MgTPP(*+). Redox titrations involving MgTPP and C(60)Im allowed accurate determination of the oxidation and reduction potentials of the donor and acceptor entities in the supramolecular complex. These studies revealed more difficult oxidation, by about 100 mV, for MgTPP in the pentacoordinated C(60)Im:MgTPP compared to pristine MgTPP in o-dichlorobenzene. A total of six one-electron redox processes corresponding to the oxidation and reduction of the zinc porphyrin ring and the reduction of fullerene entities was observed within the accessible potential window of the solvent. The excited state events were monitored by both steady state and time-resolved emission as well as transient absorption techniques. In o-dichlorobenzene, upon coordination of C(60)Im to MgTPP, the main quenching pathway involved electron transfer from the singlet excited MgTPP to the C(60)Im moiety. The rate of forward electron transfer, k(CS), calculated from the picosecond time-resolved emission

  10. Lattice Issues of the CERN PSB with H- Charge exchange injection hardware

    CERN Document Server

    Aiba, M; Chanel, M; Goddard, B; Martini, M; Weterings, W

    2010-01-01

    The motivation for the construction of CERN Linac4 is to improve the performance of the PSB by raising the injection energy and implementing a new H- charge exchange multiturn injection scheme. Lattice perturbations introduced by the new injection hardware are described. Strategies to mitigate the consequences, first by minimizing the additional focusing introduced and, by compensating the residual perturbation, are reported.

  11. Divergence in intense ion beams caused by incomplete charge neutralization

    International Nuclear Information System (INIS)

    Olson, C.L.; Poukey, J.W.

    1993-01-01

    Space charge neutralization for light ion fusion (LIF) ion beam transport is usually assumed to be perfect in the open-quotes charge-neutralclose quotes region of the diode and in the gas transport cell. However, small charge clumps in the beam will not be totally charge-neutralized, and the residual net space charge may contribute to the beam microdivergence θ μ . If the net potential of the clump is limited only by electron trapping, the minimum potential will be eφ ∼ 1/2 m e v i 2 where m e is the electron mass and v i is the ion velocity. For proton beams this leads to θ μ ∼ (m e /M p ) 1/2 ∼ 23 mrad, where M p is the proton rest mass. For non-protonic beams, different results occur. The mechanism predicts (1) no dependence of θ μ on diode voltage, (2) non-protonic θ μ greater than proton θ μ for proton-contaminated beams, and (3) axial energy spread Δε parallel /ε parallel ∼ ±2 θ μ , which are all consistent with present data. Results of analytic studies and computer simulations of this mechanism are presented. Plasma shielding reduces the effects of this mechanism but collisions and magnetic fields reduce the plasma shielding effects. 2-D PIC MAGIC simulations show that this mechanism contributes to θ μ both in the open-quotes charge-neutralclose quotes region and in the gas transport region. It is concluded that this mechanism is especially important in the open-quotes charge-neutralclose quotes region

  12. Seventeen-coordinate actinide helium complexes

    Energy Technology Data Exchange (ETDEWEB)

    Kaltsoyannis, Nikolas [School of Chemistry, The University of Manchester (United Kingdom)

    2017-06-12

    The geometries and electronic structures of molecular ions featuring He atoms complexed to actinide cations are explored computationally using density functional and coupled cluster theories. A new record coordination number is established, as AcHe{sub 17}{sup 3+}, ThHe{sub 17}{sup 4+}, and PaHe{sub 17}{sup 4+} are all found to be true geometric minima, with the He atoms clearly located in the first shell around the actinide. Analysis of AcHe{sub n}{sup 3+} (n=1-17) using the quantum theory of atoms in molecules (QTAIM) confirms these systems as having closed shell, charge-induced dipole bonding. Excellent correlations (R{sup 2}>0.95) are found between QTAIM metrics (bond critical point electron densities and delocalization indices) and the average Ac-He distances, and also with the incremental He binding energies. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Ferrochelatase from Rhodopseudomonas sphaeroides: substrate specificity and role of sulfhydryl and arginyl residues

    International Nuclear Information System (INIS)

    Dailey, H.A.; Fleming, J.E.; Harbin, B.M.

    1986-01-01

    Purified ferrochelatase from the bacterium Rhodopseudomonas sphaeroides was examined to determine the roles of cationic and sulfhydryl residues in substrate binding. Reaction of the enzyme sulfhydryl residues with N-ethylmaleimide or monobromobimane resulted in a rapid loss of enzyme activity. Ferrous iron, but not porphyrin substrate, had a protective effect against inactivation by these two reagents. Quantitation with 3 H-labeled N-ethylmaleimide revealed that inactivation required one to two sulfhydryl groups to be modified. Modification of arginyl residues with either 2,3-butanedione or camphorquinone 10-sulfonate resulted in a loss of ferrochelatase activity. A kinetic analysis of the modified enzyme showed that the K/sub m/ for ferrous iron was not altered but that the K/sub m/ for the prophyrin substrate was increased. These data suggested that arginyl residues may be involved in porphyrin binding, possibly via charge pair interactions between the arginyl residue and the anionic porphyrin propionate side chain. Modification of lysyl residues had no effect on enzyme activity. The authors also examined the ability of bacterial ferrochelatase to use various 2,4-disubstituted porphyrins as substrates. The authors found that 2,4-bis-acetal- and 2,4-disulfonate deuteroporphyrins were effective substrates for the purified bacterial enzyme and that N-methylprotoporphyrin was an effective inhibitor of the enzyme. Data for the ferrochelatase of R. sphaeroides are compared with previously published data for the eucaryotic enzyme

  14. Classification of the ejection mechanisms of charged macromolecules from liquid droplets.

    Science.gov (United States)

    Consta, Styliani; Malevanets, Anatoly

    2013-01-28

    The relation between the charge state of a macromolecule and its ejection mechanism from droplets is one of the important questions in electrospray ionization methods. In this article, effects of solvent-solute interaction on the manifestation of the charge induced instability in a droplet are examined. We studied the instabilities in a prototype system of a droplet comprised of charged poly(ethylene glycol) and methanol, acetonitrile, and water solvents. We observed instances of three, previously only conjectured, [S. Consta, J. Phys. Chem. B 114, 5263 (2010)] mechanisms of macroion ejection. The mechanism of ejection of charged macroion in methanol is reminiscent of "pearl" model in polymer physics. In acetonitrile droplets, the instability manifests through formation of solvent spines around the solvated macroion. In water, we find that the macroion is ejected from the droplet through contiguous extrusion of a part of the chain. The difference in the morphology of the instabilities is attributed to the interplay between forces arising from the macroion solvation energy and the surface energy of the droplet interface. For the contiguous extrusion of a charged macromolecule from a droplet, we demonstrate that the proposed mechanism leads to ejection of the macromolecule from droplets with sizes well below the Rayleigh limit. The ejected macromolecule may hold charge significantly higher than that suggested by prevailing theories. The simulations reveal new mechanisms of macroion evaporation that differ from conventional charge residue model and ion evaporation mechanisms.

  15. Time-domain numerical computations of electromagnetic fields in cylindrical co-ordinates using the transmission line matrix: evaluation of radiaion losses from a charge bunch passing through a pill-box resonator

    International Nuclear Information System (INIS)

    Sarma, J.; Robson, P.N.

    1979-01-01

    The two dimensional transmission line matrix (TLM) numerical method has been adapted to compute electromagnetic field distributions in cylindrical co-ordinates and it is applied to evaluate the radiation loss from a charge bunch passing through a 'pill-box' resonator. The computer program has been developed to calculate not only the total energy loss to the resonator but also that component of it which exists in the TM 010 mode. The numerically computed results are shown to agree very well with the analytically derived values as found in the literature which, therefore, established the degree of accuracy that is obtained with the TLM method. The particular features of computational simplicity, numerical stability and the inherently time-domain solutions produced by the TLM method are cited as additional, attractive reasons for using this numerical procedure in solving such problems. (Auth.)

  16. Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 2. Assessing Charge Site Location and Isotope Scrambling

    Science.gov (United States)

    Khakinejad, Mahdiar; Ghassabi Kondalaji, Samaneh; Donohoe, Gregory C.; Valentine, Stephen J.

    2016-03-01

    Ion mobility spectrometry (IMS) coupled with gas-phase hydrogen deuterium exchange (HDX)-mass spectrometry (MS) and molecular dynamic simulations (MDS) has been used for structural investigation of anions produced by electrospraying a sample containing a synthetic peptide having the sequence KKDDDDDIIKIIK. In these experiments the potential of the analytical method for locating charge sites on ions as well as for utilizing collision-induced dissociation (CID) to reveal the degree of deuterium uptake within specific amino acid residues has been assessed. For diffuse (i.e., more elongated) [M - 2H]2- ions, decreased deuterium content along with MDS data suggest that the D4 and D6 residues are charge sites, whereas for the more diffuse [M - 3H]3- ions, the data suggest that the D4, D7, and the C-terminus are deprotonated. Fragmentation of mobility-selected, diffuse [M - 2H]2- ions to determine deuterium uptake at individual amino acid residues reveals a degree of deuterium retention at incorporation sites. Although the diffuse [M - 3H]3- ions may show more HD scrambling, it is not possible to clearly distinguish HD scrambling from the expected deuterium uptake based on a hydrogen accessibility model. The capability of the IMS-HDX-MS/MS approach to provide relevant details about ion structure is discussed. Additionally, the ability to extend the approach for locating protonation sites on positively-charged ions is presented.

  17. The effect of errors in charged particle beams

    International Nuclear Information System (INIS)

    Carey, D.C.

    1987-01-01

    Residual errors in a charged particle optical system determine how well the performance of the system conforms to the theory on which it is based. Mathematically possible optical modes can sometimes be eliminated as requiring precisions not attainable. Other plans may require introduction of means of correction for the occurrence of various errors. Error types include misalignments, magnet fabrication precision limitations, and magnet current regulation errors. A thorough analysis of a beam optical system requires computer simulation of all these effects. A unified scheme for the simulation of errors and their correction is discussed

  18. Summary report of consultants' meeting on nuclear data of charged-particle interactions for medical therapy applications

    International Nuclear Information System (INIS)

    Capote Noy, R.; Vatnitskiy, S.

    2007-01-01

    A summary is given of a Consultants' Meeting assembled to assess the viability of a new IAEA Co-ordinated Research Project (CRP) on Charged-Particle Interaction Data for Radiotherapy. The need for a programme to compile and evaluate charged-particle nuclear data for therapeutic applications was strongly agreed. Both the technical discussions and the expected outcomes of such a project are described, along with detailed recommendations for implementation. The meeting was jointly organized by NAPC/Nuclear Data Section and NAHU/Dosimetry and Medical Radiation Physics Section. (author)

  19. Origin of the pKa shift of the catalytic lysine in acetoacetate decarboxylase.

    OpenAIRE

    Ishikita, Hiroshi

    2010-01-01

    The pKa value of Lys115, the catalytic residue in acetoacetate decarboxylate, was calculated using atomic coordinates of the X-ray crystal structure with consideration of the protonation states of all titratable sites in the protein. The calculated pKa value of Lys115 (pKa(Lys115)) was unusually low (approximately 6) in agreement with the experimentally measured value. Although charged residues impact pKa(Lys115) considerably in the native protein, the significant pKa(Lys115) downshift in the...

  20. First LHC Shutdown: Coordination and Schedule Issues

    CERN Document Server

    Coupard, J; Grillot, S

    2010-01-01

    The first LHC shutdown started in fall 2008, just after the incident on the 19th of September 2008. In addition to the typical work of a shutdown, a large number of interventions, related to the “consolidation after the incident” were performed in the LHC loop. Moreover the amount of work increased during the shutdown, following the recommendations and conclusions of the different working groups in charge of the safety of the personnel and of the machine. This paper will give an overview of the work performed, the organization of the coordination, emphasizing the new safety risks (electrical and cryogenic), and how the interventions were implemented in order to ensure both the safety of personnel and a minimized time window.

  1. Scanned beams of high-energy charged particles and features of their collimation

    International Nuclear Information System (INIS)

    Zor'ko, K.I.; Kudoyarov, M.F.; Matyukov, A.V.; Mukhin, S.A.; Patrova, M.Ya.

    2007-01-01

    The coordinate distributions of the accelerated charged particle flux density that are simultaneously formed by sinusoidal scanning and collimation are analyzed. Under certain formation conditions, the edge portions of these distributions are shown to take a two-humped shape. The experimental data obtained are in good agreement with the calculation. Recommendations are made about practical use of these beams in view of the above effects [ru

  2. CHARACTERIZATION OF AGROINDUSTRIAL RESIDUES WITH A VIEW TO ITS EXPLOITATION

    Directory of Open Access Journals (Sweden)

    Emir Cabrera Rodríguez

    2016-10-01

    Full Text Available Agroindustrial residues are considered one of the most important renewable resources to obtain products of economic and social interest. This study assesses the potential use of coconut husk, sugar cane straw and sugar cane bagasse marrow through their chemical characterization. For this, the total solid contents, the ash, lignin, holocellulose and extractive contents are determined, as well as the zero charge Ph and the total acid and basic groups of materials. Results show a large lignin percentage in coconut husk composition (42.3 ± 1.03%, which is significantly higher than that of the other residues. That is why this material is a promising feedstock to obtain high-added value chemical products like phenolic compounds, which can replace those derived from crude oil. Straw and marrow have high holocellulose percentages of 61.1 ± 1.0% and 60.3 ± 1.3%, respectively, deserving attention as feedstock for biofuels production and chemical compound synthesis. On the other hand, all residues have higher number of acid sites with a predominance of carboxyl and hydroxyl groups according to infrared spectroscopy (FTIR. Therefore, all materials display potentialities for heavy metals and dissolving colorants biosorption.

  3. Study of consumer fireworks post-blast residues by ATR-FTIR.

    Science.gov (United States)

    Martín-Alberca, Carlos; Zapata, Félix; Carrascosa, Héctor; Ortega-Ojeda, Fernando E; García-Ruiz, Carmen

    2016-03-01

    Specific analytical procedures are requested for the forensic analysis of pre- and post-blast consumer firework samples, which present significant challenges. Up to date, vibrational spectroscopic techniques such as Fourier transform infrared spectroscopy (FTIR) have not been tested for the analysis of post-blast residues in spite of their interesting strengths for the forensic field. Therefore, this work proposes a simple and fast procedure for the sampling and analysis of consumer firework post-blast residues by a portable FTIR instrument with an Attenuated Total Reflection (ATR) accessory. In addition, the post-blast residues spectra of several consumer fireworks were studied in order to achieve the identification of their original chemical compositions. Hence, this work analysed 22 standard reagents usually employed to make consumer fireworks, or because they are related to their combustion products. Then, 5 different consumer fireworks were exploded, and their residues were sampled with dry cotton swabs and directly analysed by ATR-FTIR. In addition, their pre-blast fuses and charges were also analysed in order to stablish a proper comparison. As a result, the identification of the original chemical compositions of the post-blast samples was obtained. Some of the compounds found were potassium chlorate, barium nitrate, potassium nitrate, potassium perchlorate or charcoal. An additional study involving chemometric tools found that the results might greatly depend on the swab head type used for the sampling, and its sampling efficiency. The proposed procedure could be used as a complementary technique for the analysis of consumer fireworks post-blast residues. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Charging of dust grains in a plasma with negative ions

    International Nuclear Information System (INIS)

    Kim, Su-Hyun; Merlino, Robert L.

    2006-01-01

    The effect of negative ions on the charging of dust particles in a plasma is investigated experimentally. A plasma containing a very low percentage of electrons is formed in a single-ended Q machine when SF 6 is admitted into the vacuum system. The relatively cold Q machine electrons (T e ≅0.2 eV) readily attach to SF 6 molecules to form SF 6 - negative ions. Calculations of the dust charge indicate that for electrons, negative ions, and positive ions of comparable temperatures, the charge (or surface potential) of the dust can be positive if the positive ion mass is smaller than the negative ion mass and if ε, the ratio of the electron to positive ion density, is sufficiently small. The Q machine plasma is operated with K + positive ions (mass 39 amu) and SF 6 - negative ions (mass 146 amu), and also utilizes a rotating cylinder to dispense dust into the plasma column. Analysis of the current-voltage characteristics of a Langmuir probe in the dusty plasma shows evidence for the reduction in the (magnitude) of the negative dust charge and the transition to positively charged dust as the relative concentration of the residual electrons is reduced. Some remarks are offered concerning experiments that could become possible in a dusty plasma with positive grains

  5. 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.

  6. Equilibrium phase-space distributions and space charge limits in linacs

    International Nuclear Information System (INIS)

    Lysenko, W.P.

    1977-10-01

    Limits on beam current and emittance in proton and heavy ion linear accelerators resulting from space charge forces are calculated. The method involves determining equilibrium distributions in phase space using a continuous focusing, no acceleration, model in two degrees of freedom using the coordinates r and z. A nonlinear Poisson equation must be solved numerically. This procedure is a matching between the longitudinal and transverse directions to minimize the effect of longitudinal-transverse coupling which is believed to be the main problem in emittance growth due to space charge in linacs. Limits on the Clinton P. Anderson Meson Physics Facility (LAMPF) accelerator performance are calculated as an example. The beam physics is described by a few space charge parameters so that accelerators with different physical parameters can be compared in a natural way. The main result of this parameter study is that the requirement of a high-intensity beam is best fulfilled with a low-frequency accelerator whereas the requirement of a high-brightness beam is best fulfilled with a high-frequency accelerator

  7. The impact of irradiation induced specimen charging on microanalysis in a scanning electron microscope

    International Nuclear Information System (INIS)

    Stevens-Kalceff, M.A.

    2003-01-01

    Full text: It is necessary to assess and characterize the perturbing influences of experimental probes on the specimens under investigation. The significant influence of electron beam irradiation on poorly conducting materials has been assessed by a combination of specialized analytical scanning electron and scanning probe microscopy techniques including Cathodoluminescence Microanalysis and Kelvin Probe Microscopy. These techniques enable the defect structure and the residual charging of materials to be characterized at high spatial resolution. Cathodoluminescence is the non-incandescent emission of light resulting from the electron irradiation. CL microscopy and spectroscopy in a Scanning Electron Microscope (SEM) enables high spatial resolution and high sensitivity detection of defects in poorly conducting materials. Local variations in the distribution of defects can be non-destructively characterized with high spatial (lateral and depth) resolution by adjusting electron beam parameters to select the specimen micro-volume of interest. Kelvin Probe Microscopy (KPM) is a Scanning Probe Microscopy technique in which long-range Coulomb forces between a conductive atomic force probe and the specimen enable the surface potential to be characterized with high spatial resolution. A combination of Kelvin Probe Microscopy (KPM) and Cathodoluminescence (CL) microanalysis has been used to characterize ultra pure silicon dioxide exposed to electron irradiation in a Scanning Electron Microscope. Silicon dioxide is an excellent model specimen with which to investigate charging induced effects. It is a very poor electrical conductor, homogeneous and electron irradiation produces easily identifiable surface modification which enables irradiated regions to be easily and unambiguously located. A conductive grounded coating is typically applied to poorly conducting specimens prior to investigation in an SEM to prevent deflection of the electron beam and surface charging, however

  8. White-emissive tandem-type hybrid organic/polymer diodes with (0.33, 0.33) chromaticity coordinates.

    Science.gov (United States)

    Guo, Tzung-Fang; Wen, Ten-Chin; Huang, Yi-Shun; Lin, Ming-Wei; Tsou, Chuan-Cheng; Chung, Chia-Tin

    2009-11-09

    This study reports fabrication of white-emissive, tandem-type, hybrid organic/polymer light-emitting diodes (O/PLED). The tandem devices are made by stacking a blue-emissive OLED on a yellow-emissive phenyl-substituted poly(para-phenylene vinylene) copolymer-based PLED and applying an organic oxide/Al/molybdenum oxide (MoO(3)) complex structure as a connecting structure or charge-generation layer (CGL). The organic oxide/Al/MoO(3) CGL functions as an effective junction interface for the transport and injection of opposite charge carriers through the stacked configuration. The electroluminescence (EL) spectra of the tandem-type devices can be tuned by varying the intensity of the emission in each emissive component to yield the visible-range spectra from 400 to 750 nm, with Commission Internationale de l'Eclairage chromaticity coordinates of (0.33, 0.33) and a high color rendering capacity as used for illumination. The EL spectra also exhibit good color stability under various bias conditions. The tandem-type device of emission with chromaticity coordinates, (0.30, 0.31), has maximum brightness and luminous efficiency over 25,000 cd/m(2) and approximately 4.2 cd/A, respectively.

  9. Water-Energy Nexus in Shared River Basins: How Hydropower Shapes Cooperation and Coordination

    Directory of Open Access Journals (Sweden)

    Kouangpalath Phimthong

    2015-01-01

    Full Text Available The construction of hydropower plants on transboundary rivers is seldom done with equal benefits to all riparians, and therefore presents coordination and cooperation challenges. Without a supra-national authority in charge of transboundary river basins, coordination between sectors (water, energy and environment and cooperation between countries largely depends on willingness of the individual nation states and the power relations between these countries. This paper discusses how the interests and relative power positions of actors in transboundary water management shape the outcomes, and what roles are played by River Basin Organisations and foreign investors (especially in hydropower development. These issues are illustrated with examples from the Mekong river in Southeast Asia (Laos, Thailand, Cambodia and Vietnam, the Euphrates-Tigris (Turkey, Syria, Iraq, Iran and Kuwait and the Çoruh in Turkey and Georgia.

  10. Theoretical research on charge exchange of uranum ions at thermal energies

    International Nuclear Information System (INIS)

    Bardsley, J.N.

    1975-01-01

    The cross section for resonant charge transfer in U + -U collisions is calculated as a function of the energy in the center-of-mass coordinate frame. The computed value decreases monotonically from approximately 300 A 2 at 0.025 eV to 100 A 2 at 50 eV. The latter value would be appropriate for ions of energy 100 eV moving through a gas of neutral atoms at thermal velocities

  11. Measurement and prediction of residual stress in a bead-on-plate weld benchmark specimen

    International Nuclear Information System (INIS)

    Ficquet, X.; Smith, D.J.; Truman, C.E.; Kingston, E.J.; Dennis, R.J.

    2009-01-01

    This paper presents measurements and predictions of the residual stresses generated by laying a single weld bead on a flat, austenitic stainless steel plate. The residual stress field that is created is strongly three-dimensional and is considered representative of that found in a repair weld. Through-thickness measurements are made using the deep hole drilling technique, and near-surface measurements are made using incremental centre hole drilling. Measurements are compared to predictions at the same locations made using finite element analysis incorporating an advanced, non-linear kinematic hardening model. The work was conducted as part of an European round robin exercise, coordinated as part of the NeT network. Overall, there was broad agreement between measurements and predictions, but there were notable differences

  12. A charged residue at the subunit interface of PCNA promotes trimer formation by destabilizing alternate subunit interactions

    International Nuclear Information System (INIS)

    Freudenthal, Bret D.; Gakhar, Lokesh; Ramaswamy, S.; Washington, M. Todd

    2009-01-01

    Eukaryotic proliferating cell nuclear antigen (PCNA), an essential accessory factor in DNA replication and repair, is a ring-shaped homotrimer. A novel nontrimeric structure of E113G-mutant PCNA protein is reported, which shows that this protein forms alternate subunit interactions. It is concluded that the charged side chain of Glu113 promotes normal trimer formation by destabilizing these alternate subunit interactions. Eukaryotic proliferating cell nuclear antigen (PCNA) is an essential replication accessory factor that interacts with a variety of proteins involved in DNA replication and repair. Each monomer of PCNA has an N-terminal domain A and a C-terminal domain B. In the structure of the wild-type PCNA protein, domain A of one monomer interacts with domain B of a neighboring monomer to form a ring-shaped trimer. Glu113 is a conserved residue at the subunit interface in domain A. Two distinct X-ray crystal structures have been determined of a mutant form of PCNA with a substitution at this position (E113G) that has previously been studied because of its effect on translesion synthesis. The first structure was the expected ring-shaped trimer. The second structure was an unanticipated nontrimeric form of the protein. In this nontrimeric form, domain A of one PCNA monomer interacts with domain A of a neighboring monomer, while domain B of this monomer interacts with domain B of a different neighboring monomer. The B–B interface is stabilized by an antiparallel β-sheet and appears to be structurally similar to the A–B interface observed in the trimeric form of PCNA. The A–A interface, in contrast, is primarily stabilized by hydrophobic interactions. Because the E113G substitution is located on this hydrophobic surface, the A–A interface should be less favorable in the case of the wild-type protein. This suggests that the side chain of Glu113 promotes trimer formation by destabilizing these possible alternate subunit interactions

  13. Review of the incineration of 500 tonnes of radio-active residues

    International Nuclear Information System (INIS)

    Rodier, J.; Seyfried, P.; Charbonneaux, M.

    1969-01-01

    During its first five years operation, the incinerator at the Marcoule Centre has burnt almost 500 tonnes of radio-active residues. Improvements in some of the details of the process have been made during this period; they concern the nature of the materials involved. The technical and radiological results for the installation are very favorable, and have made it possible to maintain a high charge factor.Although the overall economic results are not advantageous in the case of ungraded solid residues this method represents nevertheless the best available for eliminating oils, solvents, wood and dead animals. It can also be of use furthermore each time that a dilution in the atmosphere can advantageously be used as a method of disposing of certain radio elements such as tritium or carbon 14 in the form of gases or vapours. (author) [fr

  14. Efficient mixing scheme for self-consistent all-electron charge density

    Science.gov (United States)

    Shishidou, Tatsuya; Weinert, Michael

    2015-03-01

    In standard ab initio density-functional theory calculations, the charge density ρ is gradually updated using the ``input'' and ``output'' densities of the current and previous iteration steps. To accelerate the convergence, Pulay mixing has been widely used with great success. It expresses an ``optimal'' input density ρopt and its ``residual'' Ropt by a linear combination of the densities of the iteration sequences. In large-scale metallic systems, however, the long range nature of Coulomb interaction often causes the ``charge sloshing'' phenomenon and significantly impacts the convergence. Two treatments, represented in reciprocal space, are known to suppress the sloshing: (i) the inverse Kerker metric for Pulay optimization and (ii) Kerker-type preconditioning in mixing Ropt. In all-electron methods, where the charge density does not have a converging Fourier representation, treatments equivalent or similar to (i) and (ii) have not been described so far. In this work, we show that, by going through the calculation of Hartree potential, one can accomplish the procedures (i) and (ii) without entering the reciprocal space. Test calculations are done with a FLAPW method.

  15. Determination of effective charges and ionic mobilities of polycationic antimicrobial peptides by capillary isotachophoresis and capillary zone electrophoresis.

    Science.gov (United States)

    Tůmová, Tereza; Monincová, Lenka; Nešuta, Ondřej; Čeřovský, Václav; Kašička, Václav

    2017-08-01

    Capillary ITP (CITP) and CZE were applied to the determination of effective charges and ionic mobilities of polycationic antimicrobial peptides (AMPs). Twelve AMPs (deca- to hexadecapeptides) containing three to seven basic amino acid residues (His, Lys, Arg) at variable positions of peptide chain were investigated. Effective charges of the AMPs were determined from the lengths of their ITP zones, ionic mobilities, and molar concentrations, and from the same parameters of the reference compounds. Lengths of the ITP zones of AMPs and reference compounds were obtained from their CITP analyses in cationic mode using leading electrolyte (LE) composed of 10 mM NH 4 OH, 40 mM AcOH (acetic acid), pH 4.1, and terminating electrolyte (TE) containing 40 mM AcOH, pH 3.2. Ionic mobilities of AMPs and singly charged reference compounds (ammediol or arginine) were determined by their CZE analyses in the BGE of the same composition as the LE. The effective charges numbers of AMPs were found to be in the range 1.65-5.04, i.e. significantly reduced as compared to the theoretical charge numbers (2.86-6.99) calculated from the acidity constants of the analyzed AMPs. This reduction of effective charge due to tightly bound acetate counterions (counterion condensation) was in the range 17-47% depending on the number and type of the basic amino acid residues in the AMPs molecules. Ionic mobilities of AMPs achieved values (26.5-38.6) × 10 -9  m 2 V -1 s -1 and in most cases were in a good agreement with the ratio of their effective charges and relative molecular masses. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Analysis of martensitic transformation and residual tension in an 304L stainless steel; Analise da transformacao martensitica e tensao residual em um aco inoxidavel 304L

    Energy Technology Data Exchange (ETDEWEB)

    Alves, Juciane Maria

    2014-07-01

    The relationship between plastic deformation and the strain induced phase transformation, that provides a practical route to the development of new engineering materials with excellent mechanical properties, characterize the TRIP effect 'Transformation Induced Plasticity'. Among the stainless steels, the metastable 304 L austenitic steel is susceptible to transformation of austenite-martensite phase from tensile tests at room temperature by increments of plastic deformation. It is of great technological and scientific interest the knowledge of the evolution of phase transformation and residual stress from different levels and rates of plastic deformation imposed to the material. It is also important to evaluate the interference of metallographic preparation in quantitative analyzes of this steel. The main techniques used in this study consisted of X-rays diffraction and Ferritoscopy for the quantitation phase, and XRD to residual stress analysis also. As observed, the phase transformation quantification has not suffered significant influence of the metallographic preparation and evolved from increments of plastic deformation due to different stop charges and strain rates, leading to a further strengthening of the austenite matrix. The evaluation of residual stress resulting from the martensitic transformation was susceptible to the metallographic preparation and increased its value on comparison to sample without metallographic preparation. It was also observed that the residual stress decreased with the increase of the fraction of transformed martensite. (author)

  17. Residual stresses

    International Nuclear Information System (INIS)

    Sahotra, I.M.

    2006-01-01

    The principal effect of unloading a material strained into the plastic range is to create a permanent set (plastic deformation), which if restricted somehow, gives rise to a system of self-balancing within the same member or reaction balanced by other members of the structure., known as residual stresses. These stresses stay there as locked-in stresses, in the body or a part of it in the absence of any external loading. Residual stresses are induced during hot-rolling and welding differential cooling, cold-forming and extruding: cold straightening and spot heating, fabrication and forced fitting of components constraining the structure to a particular geometry. The areas which cool more quickly develop residual compressive stresses, while the slower cooling areas develop residual tensile stresses, and a self-balancing or reaction balanced system of residual stresses is formed. The phenomenon of residual stresses is the most challenging in its application in surface modification techniques determining endurance mechanism against fracture and fatigue failures. This paper discusses the mechanism of residual stresses, that how the residual stresses are fanned and what their behavior is under the action of external forces. Such as in the case of a circular bar under limit torque, rectangular beam under limt moment, reclaiming of shafts welds and peening etc. (author)

  18. Charge collection in silicon strip detectors

    International Nuclear Information System (INIS)

    Kraner, H.W.; Beuttenmuller, R.; Ludlam, T.; Hanson, A.L.; Jones, K.W.; Radeka, V.; Heijne, E.H.M.

    1982-11-01

    The use of position sensitive silicon detectors as very high resolution tracking devices in high energy physics experiments has been a subject of intense development over the past few years. Typical applications call for the detection of minimum ionizing particles with position measurement accuracy of 10 μm in each detector plane. The most straightforward detector geometry is that in which one of the collecting electrodes is subdivided into closely spaced strips, giving a high degree of segmentation in one coordinate. Each strip may be read out as a separate detection element, or, alternatively, resistive and/or capacitive coupling between adjacent strips may be exploited to interpolate the position via charge division measrurements. With readout techniques that couple several strips, the numer of readout channels can, in principle, be reduced by large factors without sacrificing the intrinsic position accuracy. The testing of individual strip properties and charge division between strips has been carried out with minimum ionizing particles or beams for the most part except in one case which used alphs particless scans. This paper describes the use of a highly collimated MeV proton beam for studies of the position sensing properties of representative one dimensional strip detectors

  19. Geometrical charged-particle optics. 2. ed.

    International Nuclear Information System (INIS)

    Rose, Harald

    2013-01-01

    Provides a unique theoretical treatment of charged-particle optics. Displays novel unpublished results on several topics. Provides insight into the properties of charged-particle devices. Treats wave optical properties of the electron. Presents the resolution limit of electron microscopes and novel theoretical treatment of the Stern-Gerlach effect. This second edition is an extended version of the first edition of Geometrical Charged-Particle Optics. The updated reference monograph is intended as a guide for researchers and graduate students who are seeking a comprehensive treatment of the design of instruments and beam-guiding systems of charged particles and their propagation in electromagnetic fields. Wave aspects are included in this edition for explaining electron holography, the Aharanov-Bohm effect and the resolution of electron microscopes limited by diffraction. Several methods for calculating the electromagnetic field are presented and procedures are outlined for calculating the properties of systems with arbitrarily curved axis. Detailed methods are presented for designing and optimizing special components such as aberration correctors, spectrometers, energy filters monochromators, ion traps, electron mirrors and cathode lenses. In particular, the optics of rotationally symmetric lenses, quadrupoles, and systems composed of these elements are discussed extensively. Beam properties such as emittance, brightness, transmissivity and the formation of caustics are outlined. Relativistic motion and spin precession of the electron are treated in a covariant way by introducing the Lorentz-invariant universal time and by extending Hamilton's principle from three to four spatial dimensions where the laboratory time is considered as the fourth pseudo-spatial coordinate. Using this procedure and introducing the self action of the electron, its accompanying electromagnetic field and its radiation field are calculated for arbitrary motion. In addition, the Stern

  20. Conserved residues of the human mitochondrial holocytochrome c synthase mediate interactions with heme.

    Science.gov (United States)

    Babbitt, Shalon E; San Francisco, Brian; Bretsnyder, Eric C; Kranz, Robert G

    2014-08-19

    C-type cytochromes are distinguished by the covalent attachment of a heme cofactor, a modification that is typically required for its subsequent folding, stability, and function. Heme attachment takes place in the mitochondrial intermembrane space and, in most eukaryotes, is mediated by holocytochrome c synthase (HCCS). HCCS is the primary component of the eukaryotic cytochrome c biogenesis pathway, known as System III. The catalytic function of HCCS depends on its ability to coordinate interactions between its substrates: heme and cytochrome c. Recent advancements in the recombinant expression and purification of HCCS have facilitated comprehensive analyses of the roles of conserved residues in HCCS, as demonstrated in this study. Previously, we proposed a four-step model describing HCCS-mediated cytochrome c assembly, identifying a conserved histidine residue (His154) as an axial ligand to the heme iron. In this study, we performed a systematic mutational analysis of 17 conserved residues in HCCS, and we provide evidence that the enzyme contains two heme-binding domains. Our data indicate that heme contacts mediated by residues within these domains modulate the dynamics of heme binding and contribute to the stability of the HCCS-heme-cytochrome c steady state ternary complex. While some residues are essential for initial heme binding (step 1), others impact the subsequent release of the holocytochrome c product (step 4). Certain HCCS mutants that were defective in heme binding were corrected for function by exogenous aminolevulinic acid (ALA, the precursor to heme). This chemical "correction" supports the proposed role of heme binding for the corresponding residues.

  1. Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers

    Energy Technology Data Exchange (ETDEWEB)

    Thangavelu, Sonia G. [Department; Butcher, Ray J. [Department; Cahill, Christopher L. [Department

    2015-06-09

    Thiophene 2,5-dicarboxylic acid (TDC) was reacted with uranyl acetate dihydrate and one (or none) of six N-donor chelating ligands (2,2'-bipyridine (BPY), 4,4'-dimethyl-2,2'-bipyridine (4-MeBPY), 5,5'-dimethyl-2,2'-bipyridine (5-MeBPY), 6,6'-dimethyl-2,2'-bipyridine (6-MeBPY), 4,4',6,6'-tetramethyl-2,2'-bipyridine (4,6-MeBPY), and tetrakis(2-pyridyl)pyrazine (TPPZ) to result in the crystallization of seven uranyl coordination polymers, which were characterized by their crystal structures and luminescence properties. The seven coordination polymers, Na2[(UO2)2(C6H2O4S)3]·4H2O (1), [(UO2)4(C6H2O4S)5(C10H8N2)2]·C10H10N2·3H2O (2), [(UO2)(C6H2O4S)(C12H12N3)] (3), [(UO2)(C6H2O4S)(C12H12N3)]·H2O (4), [(UO2)2(C6H2O4S)3]·(C12H14N2)·5H2O (5), [(UO2)3(CH3CO2)(C6H2O4S)4](C14H17N2)3·(C14H16N2)·H2O (6), and [(UO2)2(C6H2O4S)3](C24H18N6) (7), consist of either uranyl hexagonal bipyramidal or pentagonal bipyramidal coordination geometries. In all structures, structural variations in the local and global structures of 1–7 are influenced by the positions (or number) of methyl groups or pyridyl rings on the N-donor species, thus resulting in a wide diversity of structures ranging from single chains, double chains, or 2-D sheets. Direct coordination of N-donor ligands to uranyl centers is observed in the chain structures of 2–4 using BPY, 4-MeBPY, and 5-MeBPY, whereas the N-donor species participate as guests (as either neutral or charge balancing species) in the chain and sheet structures of 5–7 using 6-MeBPY, 4,6-MeBPY, and TPPZ, respectively. Compound 1 is the only structure that does not contain any N-donor ligands and thus crystallizes as a 2-D interpenetrating sheet. The luminescent properties of 1–7 are influenced by the direct coordination or noncoordination of N-donor species to uranyl centers. Compounds 2–4 exhibit typical UO22+ emission upon direct coordination of N-donors, but its absence is observed in 1

  2. Decentralized Coordinated Control Strategy of Islanded Microgrids

    DEFF Research Database (Denmark)

    Wu, Dan

    as grid voltage/frequency regulation. In order to enhance the reliability of overall islanded Microgrid operation, basic functions of coordinated control which taking into account the state of charge (SoC) limitation and power availability of renewable energy sources is implemented in a distributed level...... control strategies in this thesis, in order to promote the decentralization of the overall system. Especially the consensus algorithm based secondary level is investigated in the thesis in order to simplify the communication configuration which only flood information through the neighboring units......Facing the challenges brought by the traditional large power system concerning the environmental and economic issues, along recent years distributed generation is considered as an alternative solution to provide clean energy in a local manner. In this context, Microgrid which performing as a local...

  3. Residual stresses

    International Nuclear Information System (INIS)

    Macherauch, E.

    1978-01-01

    Residual stresses are stresses which exist in a material without the influence of external powers and moments. They come into existence when the volume of a material constantly changes its form as a consequence of mechanical, thermal, and/or chemical processes and is hindered by neighbouring volumes. Bodies with residual stress are in mechanical balance. These residual stresses can be manifested by means of all mechanical interventions disturbing this balance. Acoustical, optical, radiological, and magnetical methods involving material changes caused by residual stress can also serve for determining residual stress. Residual stresses have an ambivalent character. In technical practice, they are feared and liked at the same time. They cause trouble because they can be the cause for unexpected behaviour of construction elements. They are feared since they can cause failure, in the worst case with catastrophical consequences. They are appreciated, on the other hand, because, in many cases, they can contribute to improvements of the material behaviour under certain circumstances. But they are especially liked for their giving convenient and (this is most important) mostly uncontrollable explanations. For only in very few cases we have enough knowledge and possibilities for the objective evaluation of residual stresses. (orig.) [de

  4. Matrix-operator method for calculation of dynamics of intense beams of charged particles

    International Nuclear Information System (INIS)

    Kapchinskij, M.I.; Korenev, I.L.; Rinskij, L.A.

    1989-01-01

    Calculation algorithm for particle dynamics in high-current cyclic and linear accelerators is suggested. Particle movement in six-dimensional phase space is divided into coherent and incoherent components. Incoherent movement is described by envelope method; particle cluster is considered to be even-charged by tri-axial ellipsoid. Coherent movement is described in para-axial approximation; each structure element of the accelerator transport channel is characterized by six-dimensional matrix of phase coordinate transformation of cluster centre and by shift vector resulting from deviation of focusing element parameters from calculated values. Effect of space charge reflected forces is taken into account in the element matrix. Algorithm software is realized using well-known TRANSPORT program

  5. Energy Coordinative Optimization of Wind-Storage-Load Microgrids Based on Short-Term Prediction

    Directory of Open Access Journals (Sweden)

    Changbin Hu

    2015-02-01

    Full Text Available According to the topological structure of wind-storage-load complementation microgrids, this paper proposes a method for energy coordinative optimization which focuses on improvement of the economic benefits of microgrids in the prediction framework. First of all, the external characteristic mathematical model of distributed generation (DG units including wind turbines and storage batteries are established according to the requirements of the actual constraints. Meanwhile, using the minimum consumption costs from the external grid as the objective function, a grey prediction model with residual modification is introduced to output the predictive wind turbine power and load at specific periods. Second, based on the basic framework of receding horizon optimization, an intelligent genetic algorithm (GA is applied to figure out the optimum solution in the predictive horizon for the complex non-linear coordination control model of microgrids. The optimum results of the GA are compared with the receding solution of mixed integer linear programming (MILP. The obtained results show that the method is a viable approach for energy coordinative optimization of microgrid systems for energy flow and reasonable schedule. The effectiveness and feasibility of the proposed method is verified by examples.

  6. Design of a Software for Calculating Isoelectric Point of a Polypeptide According to Their Net Charge Using the Graphical Programming Language LabVIEW

    Science.gov (United States)

    Tovar, Glomen

    2018-01-01

    A software to calculate the net charge and to predict the isoelectric point (pI) of a polypeptide is developed in this work using the graphical programming language LabVIEW. Through this instrument the net charges of the ionizable residues of the chains of the proteins are calculated at different pH values, tabulated, pI is predicted and an Excel…

  7. Morphology and composition of pyrotechnic residues formed at different levels of confinement.

    Science.gov (United States)

    Vermeij, Erwin; Duvalois, Willem; Webb, Rutger; Koeberg, Mattijs

    2009-04-15

    Post explosion residues (PER) are residues from pyrotechnic compositions or explosives that are generated during an explosion. In the recent past SEM/EDX was used several times to analyze PER from pyrotechnic compositions. The results from these studies suggest that there might be a difference in morphology and composition of pyrotechnic residues formed at different levels of confinement. Also because of general thermodynamic principles it is believed that at higher levels of confinement the final pressure and temperature during the explosion is probably (but not necessarily) higher, eventually resulting in smaller and more spherical particles and a more homogeneous elemental composition. If there is a relation between morphology and composition of pyrotechnic residues and the level of confinement at which these are formed, it would be possible to draw conclusions about the conditions at which pyrotechnic residues were formed and the kind and construction of the device used. This may aid forensic scientists not only in the determination of the original explosive composition, but also of the explosive device. To perform controlled experiments with pyrotechnic charges at, at least, two pre-set levels of confinement a test vessel was built by TNO Defence, Security and Safety. For this study, three different flash powder compositions and black powder were selected. The generated residues were sampled on collecting plates and Nucleopore filters connected to a pump system in the immediate vicinity of the venting area for further analyses by SEM/EDX and XRD. From the results it follows that in the pressure range studied, the level of confinement seems to have a minor effect on the features of the generated residue particles. Because passive sampling by means of collector plates seemed doubtful and because the number of experiments had to be limited it is impossible to draw definitive conclusions. In addition to the level of confinement several other variables may affect

  8. Evaluation of residue-residue contact predictions in CASP9

    KAUST Repository

    Monastyrskyy, Bohdan

    2011-01-01

    This work presents the results of the assessment of the intramolecular residue-residue contact predictions submitted to CASP9. The methodology for the assessment does not differ from that used in previous CASPs, with two basic evaluation measures being the precision in recognizing contacts and the difference between the distribution of distances in the subset of predicted contact pairs versus all pairs of residues in the structure. The emphasis is placed on the prediction of long-range contacts (i.e., contacts between residues separated by at least 24 residues along sequence) in target proteins that cannot be easily modeled by homology. Although there is considerable activity in the field, the current analysis reports no discernable progress since CASP8.

  9. Charge orders in organic charge-transfer salts

    International Nuclear Information System (INIS)

    Kaneko, Ryui; Valentí, Roser; Tocchio, Luca F; Becca, Federico

    2017-01-01

    Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ -(BEDT-TTF) 2 Cu[N(CN) 2 ]Cl, we investigate magnetic and charge-ordered phases that emerge in an extended two-orbital Hubbard model on the anisotropic triangular lattice at 3/4 filling. This model takes into account the presence of two organic BEDT-TTF molecules, which form a dimer on each site of the lattice, and includes short-range intramolecular and intermolecular interactions and hoppings. By using variational wave functions and quantum Monte Carlo techniques, we find two polar states with charge disproportionation inside the dimer, hinting to ferroelectricity. These charge-ordered insulating phases are stabilized in the strongly correlated limit and their actual charge pattern is determined by the relative strength of intradimer to interdimer couplings. Our results suggest that ferroelectricity is not driven by magnetism, since these polar phases can be stabilized also without antiferromagnetic order and provide a possible microscopic explanation of the experimental observations. In addition, a conventional dimer-Mott state (with uniform density and antiferromagnetic order) and a nonpolar charge-ordered state (with charge-rich and charge-poor dimers forming a checkerboard pattern) can be stabilized in the strong-coupling regime. Finally, when electron–electron interactions are weak, metallic states appear, with either uniform charge distribution or a peculiar 12-site periodicity that generates honeycomb-like charge order. (paper)

  10. Analysis of carboxylate coordination function of the isomeric lanthanide pyridinedicarboxylates by means of vibration spectroscopy

    International Nuclear Information System (INIS)

    Puntus, L.; Zolin, V.; Kudryashova, V.

    2004-01-01

    The investigation of IR spectra of salts of six isomers of pyridinedicarboxylic acid (PDA): 2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-pyridinedicarboxylic acids, have demonstrated that properties of these salts are dependent on the bonding manner of carboxylate groups and on coordination of heterocyclic nitrogen atom. The most prominent differences in properties and spectra of 2,6- and 3,4-PDA salts are conditioned correspondingly by monodentate and bidentate coordination functions of the carboxylate groups in these compounds. The correlation of the breathing vibration frequency, reflecting the rigidity of the heterocyclic ring, with position of the carboxylate substituents, conditioning intramolecular charge transfer (CT), was postulated and proved by shifts of the breathing vibration frequency dependent on the structure of isomeric ligand

  11. Coordinated Secondary Control for Balanced Discharge Rate of Energy Storage System in Islanded Microgrids

    DEFF Research Database (Denmark)

    Guan, Yajuan; Guerrero, Josep M.; Quintero, Juan Carlos Vasquez

    2015-01-01

    current and unintentional outage of DGs. Thus, the stability and reliability of islanded MG can be improved. The eigenvalues and root locus with the proposed controller are presented to design the parameters as well as analyzing the system stability. Simulation results based on Matlab......A coordinated secondary control based on a novel autonomous currents sharing control strategy for balanced discharge rate of energy storage systems in islanded microgrid (MG) is proposed in this paper. The coordinated secondary controller is able to regulate the output power of distributed...... generating (DG) systems according to their state-of-charge by adjusting the virtual resistances of their voltage controlled inverters. This controller can not only provide the faster response and accurate output current sharing control, but also avoid the potential operation failure resulting from the over...

  12. Evaluation of the mercaptobenzothiazole degradation by combined adsorption process and Fenton reaction using iron mining residue.

    Science.gov (United States)

    Martins, Adriana Lau da Silva; Teixeira, Luís Alberto César; da Fonseca, Fabiana Valéria; Yokoyama, Lídia

    2017-08-01

    The present study investigated the degradation of mercaptobenzothiazole (MBT), evaluating homogeneous and heterogeneous systems. An iron mineral residue from the desliming step of iron mining was used as a source in the Fenton-like reaction (advanced oxidation process). A granulometric analysis of the residue was performed and yielded fractions with high hematite (Fe 2 O 3 ) and low quartz content in sieves from 74 to below 44 mm. In this particle size range, the hematite content from 58.9% to 67.4% and the Brunauer-Emmett-Teller area from 0.1345 to 1.3137 m 2  g -1 were obtained. The zeta potential curves as a function of pH were obtained for the residue, the MBT solution and mixtures thereof. The adsorption of MBT in the residue and its degradation through the Fenton-like reaction were investigated. Adsorption tests and the Fenton-like reaction were carried out, where the MBT species and the residue are oppositely charged, yielding, respectively, 10% MBT adsorption on the surface of the residue and 100% MBT degradation by the Fenton-like reaction at pH 3, hydrogen peroxide concentration of 25 mg L -1 , residue concentration of 3 g L -1 , 200 rpm and 25°C, from a 100 mg L -1 MBT solution. MBT degradation was found to occur mainly by the heterogeneous Fenton-like process.

  13. q-deformed charged fermion coherent states and SU(3) charged, Hyper-charged fermion coherent states

    International Nuclear Information System (INIS)

    Hao Sanru; Li Guanghua; Long Junyan

    1994-01-01

    By virtue of the algebra of the q-deformed fermion oscillators, the q-deformed charged fermion coherent states and SU(3) charged, hyper-charged fermion coherent states are discussed. The explicit forms of the two kinds of coherent states mentioned above are obtained by making use of the completeness of base vectors in the q-fermion Fock space. By comparing the q-deformed results with the ordinary results, it is found that the q-deformed charged fermion coherent states and SU(3) charged, hyper-charged fermion coherent states are automatically reduced to the ordinary charged fermion coherent states and SU(3) charged hyper-charged fermion coherent states if the deformed parameter q→1

  14. Two stacked tandem white organic light-emitting diodes employing WO3 as a charge generation layer

    Science.gov (United States)

    Bin, Jong-Kwan; Lee, Na Yeon; Lee, SeungJae; Seo, Bomin; Yang, JoongHwan; Kim, Jinook; Yoon, Soo Young; Kang, InByeong

    2016-09-01

    Recently, many studies have been conducted to improve the electroluminescence (EL) performance of organic lightemitting diodes (OLEDs) by using appropriate organic or inorganic materials as charge generation layer (CGL) for their application such as full color displays, backlight units, and general lighting source. In a stacked tandem white organic light-emitting diodes (WOLEDs), a few emitting units are electrically interconnected by a CGL, which plays the role of generating charge carriers, and then facilitate the injection of it into adjacent emitting units. In the present study, twostacked WOLEDs were fabricated by using tungsten oxide (WO3) as inorganic charge generation layer and 1,4,5,8,9,11- hexaazatriphenylene hexacarbonitrile (HAT-CN) as organic charge generation layer (P-CGL). Organic P-CGL materials were used due to their ease of use in OLED fabrication as compared to their inorganic counterparts. To obtain high efficiency, we demonstrate two-stacked tandem WOLEDs as follows: ITO/HIL/HTL/HTL'/B-EML/ETL/N-CGL/P-CGL (WO3 or HAT-CN)/HTL″/YG-EML/ETL/LiF/Al. The tandem devices with blue- and yellow-green emitting layers were sensitive to the thickness of an adjacent layer, hole transporting layer for the YG emitting layer. The WOLEDs containing the WO3 as charge generation layer reach a higher power efficiency of 19.1 lm/W and the current efficiency of 51.2 cd/A with the white color coordinate of (0.316, 0.318) than the power efficiency of 13.9 lm/W, and the current efficiency of 43.7 cd/A for organic CGL, HAT-CN at 10 mA/cm2, respectively. This performance with inserting WO3 as CGL exhibited the highest performance with excellent CIE color coordinates in the two-stacked tandem OLEDs.

  15. A Regional Time-of-Use Electricity Price Based Optimal Charging Strategy for Electrical Vehicles

    Directory of Open Access Journals (Sweden)

    Jun Yang

    2016-08-01

    Full Text Available With the popularization of electric vehicles (EVs, the out-of-order charging behaviors of large numbers of EVs will bring new challenges to the safe and economic operation of power systems. This paper studies an optimal charging strategy for EVs. For that a typical urban zone is divided into four regions, a regional time-of-use (RTOU electricity price model is proposed to guide EVs when and where to charge considering spatial and temporal characteristics. In light of the elastic coefficient, the user response to the RTOU electricity price is analyzed, and also a bilayer optimization charging strategy including regional-layer and node-layer models is suggested to schedule the EVs. On the one hand, the regional layer model is designed to coordinate the EVs located in different time and space. On the other hand, the node layer model is built to schedule the EVs to charge in certain nodes. According to the simulations of an IEEE 33-bus distribution network, the performance of the proposed optimal charging strategy is verified. The results demonstrate that the proposed bilayer optimization strategy can effectively decrease the charging cost of users, mitigate the peak-valley load difference and the network loss. Besides, the RTOU electricity price shows better performance than the time-of-use (TOU electricity price.

  16. Finding the bearings of a source of high-energy charged particles

    International Nuclear Information System (INIS)

    Lotyshev, E.V.; Suprunov, V.I.

    1993-01-01

    Different methods are now used to find the direction of a radiation source. One method is based on the analysis information provided by the detection block that includes a system of six two-dimensional coordinate-sensitive semiconductor detectors (CSSDs) forming a cube filled with a special absorber. The CSSD numbers, the coordinates measured by them, and the order of crossing the cube edges bear all the information necessary to find the bearings of a radiation source. However, in this method the efficiency of detection depends on the relative orientation of the detection block and the radiation flux. In addition, the size of the detection block is limited by the condition of direct passage which, in combination with the demand of an unchanging shape, make it impossible to mount it with other devices. In this work the authors address the problem of finding the bearings of a source of charged particles that is fast and allows the detection block to be mounted with the components of other devices. It is shown that the bearings of a source of charged particles can be found by analyzing signals from NN s detector elements located on N s symmetric surfaces inserted into each other and separated by an absorber. The method is fast and makes it possible structurally to combine the detector block with other components. 5 refs., 2 figs

  17. Degradation of bifenthrin and pirimiphos-methyl residues in stored wheat grains (Triticum aestivum L.) by ozonation.

    Science.gov (United States)

    Savi, Geovana D; Piacentini, Karim C; Bortolotto, Tiago; Scussel, Vildes M

    2016-07-15

    Pesticide insecticides are used on wheat grains in storage units but their efficiency is hindered by persistent residues in the grains. Therefore, this study aims to evaluate the effectiveness of ozone (O3) gas treatment on the degradation of residual bifenthrin and pirimiphos-methyl insecticides commonly used in storage wheat grains, as well as to evaluate degradation of their by-products. The residues of bifenthrin decreased after 180 min of exposure in a concentration of 60 μmol/mol (a 37.5 ± 7.4% reduction) with 20% moisture content and 0.9 water activity. On the other hand, under the same experimental conditions, the pirimiphos-methyl residues significantly decreased in the wheat grains (71.1 ± 8.6%) after 30 min of exposure. After O3 gas treatment, three by-products of pirimiphos-methyl (m/z=306.1) containing different molecular mass to charge ratios (m/z=278.1, 301.1 and 319.2) were identified by LC-MS. O3 is a strong oxidizer that has shown the potential to reduce pesticide residues in stored grain in order to ensure food quality and safety. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Salt effects on hydrophobic interaction and charge screening in the folding of a negatively charged peptide to a coiled coil (leucine zipper).

    Science.gov (United States)

    Jelesarov, I; Dürr, E; Thomas, R M; Bosshard, H R

    1998-05-19

    The stability of a coiled coil or leucine zipper is controlled by hydrophobic interactions and electrostatic forces between the constituent helices. We have designed a 30-residue peptide with the repeating seven-residue pattern of a coiled coil, (abcdefg)n, and with Glu in positions e and g of each heptad. The glutamate side chains prevented folding at pH values above 6 because of electrostatic repulsion across the helix dimer interface as well as within the individual helices. Protonation of the carboxylates changed the conformation from a random coil monomer to a coiled coil dimer. Folding at alkaline pH where the peptide had a net charge of -7e was promoted by the addition of salts. The nature of the charge screening cation was less important than that of the anion. The high salt concentrations (>1 M) necessary to induce folding indicated that the salt-induced folding resulted from alterations in the protein-water interaction. Folding was promoted by the kosmotropic anions sulfate and fluoride and to a lesser extent by the weak kosmotrope formate, whereas chloride and the strong chaotrope perchlorate were ineffective. Kosmotropes are excluded from the protein surface, which is preferentially hydrated, and this promotes folding by strengthening hydrophobic interactions at the coiled coil interface. Although charge neutralization also contributed to folding, it was effective only when the screening cation was partnered by a good kosmotropic anion. Folding conformed to a two-state transition from random coil monomer to coiled coil dimer and was enthalpy driven and characterized by a change in the heat capacity of unfolding of 3.9 +/- 1.2 kJ mol-1 K-1. The rate of folding was analyzed by fluorescence stopped-flow measurements. Folding occurred in a biphasic reaction in which the rapid formation of an initial dimer (kf = 2 x 10(7) M-1 s-1) was followed by an equally rapid concentration-independent rearrangement to the folded dimer (k > 100 s-1).

  19. Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Plapp, Bryce V.; Savarimuthu, Baskar Raj; Ferraro, Daniel J.; Rubach, Jon K.; Brown, Eric N.; Ramaswamy, S. (Iowa)

    2017-07-07

    During catalysis by liver alcohol dehydrogenase (ADH), a water bound to the catalytic zinc is replaced by the oxygen of the substrates. The mechanism might involve a pentacoordinated zinc or a double-displacement reaction with participation by a nearby glutamate residue, as suggested by studies of human ADH3, yeast ADH1, and some other tetrameric ADHs. Zinc coordination and participation of water in the enzyme mechanism were investigated by X-ray crystallography. The apoenzyme and its complex with adenosine 5'-diphosphoribose have an open protein conformation with the catalytic zinc in one position, tetracoordinated by Cys-46, His-67, Cys-174, and a water molecule. The bidentate chelators 2,2'-bipyridine and 1,10-phenanthroline displace the water and form a pentacoordinated zinc. The enzyme–NADH complex has a closed conformation similar to that of ternary complexes with coenzyme and substrate analogues; the coordination of the catalytic zinc is similar to that found in the apoenzyme, except that a minor, alternative position for the catalytic zinc is ~1.3 Å from the major position and closer to Glu-68, which could form the alternative coordination to the catalytic zinc. Complexes with NADH and N-1-methylhexylformamide or N-benzylformamide (or with NAD+ and fluoro alcohols) have the classical tetracoordinated zinc, and no water is bound to the zinc or the nicotinamide rings. The major forms of the enzyme in the mechanism have a tetracoordinated zinc, where the carboxylate group of Glu-68 could participate in the exchange of water and substrates on the zinc. Hydride transfer in the Michaelis complexes does not involve a nearby water.

  20. Coordinate measuring machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo

    This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceabilit...... and uncertainty during coordinate measurements, 3) Digitalisation and Reverse Engineering. This document contains a short description of each step in the exercise and schemes with room for taking notes of the results.......This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceability...

  1. Roles of s3 site residues of nattokinase on its activity and substrate specificity.

    Science.gov (United States)

    Wu, Shuming; Feng, Chi; Zhong, Jin; Huan, Liandong

    2007-09-01

    Nattokinase (Subtilisin NAT, NK) is a bacterial serine protease with high fibrinolytic activity. To probe their roles on protease activity and substrate specificity, three residues of S3 site (Gly(100), Ser(101) and Leu(126)) were mutated by site-directed mutagenesis. Kinetics parameters of 20 mutants were measured using tetrapeptides as substrates, and their fibrinolytic activities were determined by fibrin plate method. Results of mutation analysis showed that Gly(100) and Ser(101) had reverse steric and electrostatic effects. Residues with bulky or positively charged side chains at position 100 decreased the substrate binding and catalytic activity drastically, while residues with the same characters at position 101 could obviously enhance protease and fibrinolytic activity of NK. Mutation of Leu(126) might impair the structure of the active cleft and drastically decreased the activity of NK. Kinetics studies of the mutants showed that S3 residues were crucial to keep protease activity while they moderately affected substrate specificity of NK. The present study provided some original insight into the P3-S3 interaction in NK and other subtilisins, as well as showed successful protein engineering cases to improve NK as a potential therapeutic agent.

  2. Effect of ion compensation of the beam space charge on gyrotron operation

    Energy Technology Data Exchange (ETDEWEB)

    Fokin, A. P.; Glyavin, M. Yu. [Institute of Applied Physics, Russian Academy of Sciences, Nizhny Novgorod 603950 (Russian Federation); Nusinovich, G. S. [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742-3511 (United States)

    2015-04-15

    In gyrotrons, the coherent radiation of electromagnetic waves takes place when the cyclotron resonance condition between the wave frequency and the electron cyclotron frequency or its harmonic holds. The voltage depression caused by the beam space charge field changes the relativistic cyclotron frequency and, hence, can play an important role in the beam-wave interaction process. In long pulse and continuous-wave regimes, the beam space charge field can be partially compensated by the ions, which appear due to the beam impact ionization of neutral molecules of residual gases in the interaction space. In the present paper, the role of this ion compensation of the beam space charge on the interaction efficiency is analyzed. We also analyze the effect of the electron velocity spread on the limiting currents and discuss some effects restricting the ion-to-beam electron density ratio in the saturation stage. It is shown that the effect of the ion compensation on the voltage depression caused by the beam space charge field can cause significant changes in the efficiency of gyrotron operation and, in some cases, even result in the break of oscillations.

  3. Charge Segregation and Low Hydrophobicity Are Key Features of Ribosomal Proteins from Different Organisms*

    Science.gov (United States)

    Fedyukina, Daria V.; Jennaro, Theodore S.; Cavagnero, Silvia

    2014-01-01

    Ribosomes are large and highly charged macromolecular complexes consisting of RNA and proteins. Here, we address the electrostatic and nonpolar properties of ribosomal proteins that are important for ribosome assembly and interaction with other cellular components and may influence protein folding on the ribosome. We examined 50 S ribosomal subunits from 10 species and found a clear distinction between the net charge of ribosomal proteins from halophilic and non-halophilic organisms. We found that ∼67% ribosomal proteins from halophiles are negatively charged, whereas only up to ∼15% of ribosomal proteins from non-halophiles share this property. Conversely, hydrophobicity tends to be lower for ribosomal proteins from halophiles than for the corresponding proteins from non-halophiles. Importantly, the surface electrostatic potential of ribosomal proteins from all organisms, especially halophiles, has distinct positive and negative regions across all the examined species. Positively and negatively charged residues of ribosomal proteins tend to be clustered in buried and solvent-exposed regions, respectively. Hence, the majority of ribosomal proteins is characterized by a significant degree of intramolecular charge segregation, regardless of the organism of origin. This key property enables the ribosome to accommodate proteins within its complex scaffold regardless of their overall net charge. PMID:24398678

  4. Radiotracer studies on the fate and transformation of pesticide residues in the environment and food chains. Part of a coordinated programme on isotopic-tracer-aided studies of chemical residues in cotton seed, feed, oil and related products

    International Nuclear Information System (INIS)

    Lee, S.R.

    1980-10-01

    The magnitude and fate of some pesticide chemicals in Korean foods were studied with particular reference to oil-bearing crops and related products. Application of the chemicals was made under conditions of actual agricultural practice. Analytical methodologies included nuclear activation, gas chromatographic, spectrophotometric and radiotracer techniques. Residues of benzene hexachloride, heptachlor, heptachlor epoxide, aldrin, dieldrin, endrin and DDT found in refined vegetable oil samples were below or within the tolerance limits set by international organizations and as such, these are unlikely to present any toxicological hazard to the consumer. Also, residues of the herbicides nitrogen, alachlor and butachlor applied to oil-bearing crops were not detected in the seeds. Studies on 14 C-BHC residues in rice revealed that polishing and washing play an important role in removing a considerable portion of the residue. Data on the arsenic-containing neoasozine residues suggest that the products consumed by the human (grain and oil) contained residues below the tolerance limit and are unlikely to present any toxicological hazard to the consumer. On the other hand, relatively high arsenic concentrations (2.2 mg/kg) were found in the cake (serving as animal feed) and should be carefully evaluated in the light of toxicological data

  5. Occurrence of C-Terminal Residue Exclusion in Peptide Fragmentation by ESI and MALDI Tandem Mass Spectrometry

    Science.gov (United States)

    Dupré, Mathieu; Cantel, Sonia; Martinez, Jean; Enjalbal, Christine

    2012-02-01

    By screening a data set of 392 synthetic peptides MS/MS spectra, we found that a known C-terminal rearrangement was unexpectedly frequently occurring from monoprotonated molecular ions in both ESI and MALDI tandem mass spectrometry upon low and high energy collision activated dissociations with QqTOF and TOF/TOF mass analyzer configuration, respectively. Any residue localized at the C-terminal carboxylic acid end, even a basic one, was lost, provided that a basic amino acid such arginine and to a lesser extent histidine and lysine was present in the sequence leading to a fragment ion, usually depicted as (bn-1 + H2O) ion, corresponding to a shortened non-scrambled peptide chain. Far from being an epiphenomenon, such a residue exclusion from the peptide chain C-terminal extremity gave a fragment ion that was the base peak of the MS/MS spectrum in certain cases. Within the frame of the mobile proton model, the ionizing proton being sequestered onto the basic amino acid side chain, it is known that the charge directed fragmentation mechanism involved the C-terminal carboxylic acid function forming an anhydride intermediate structure. The same mechanism was also demonstrated from cationized peptides. To confirm such assessment, we have prepared some of the peptides that displayed such C-terminal residue exclusion as a C-terminal backbone amide. As expected in this peptide amide series, the production of truncated chains was completely suppressed. Besides, multiply charged molecular ions of all peptides recorded in ESI mass spectrometry did not undergo such fragmentation validating that any mobile ionizing proton will prevent such a competitive C-terminal backbone rearrangement. Among all well-known nondirect sequence fragment ions issued from non specific loss of neutral molecules (mainly H2O and NH3) and multiple backbone amide ruptures (b-type internal ions), the described C-terminal residue exclusion is highly identifiable giving raise to a single fragment ion in

  6. Optimization of Residual Stress of High Temperature Treatment Using Genetic Algorithm and Neural Network

    Directory of Open Access Journals (Sweden)

    M. Susmikanti

    2015-12-01

    Full Text Available In a nuclear industry area, high temperature treatment of materials is a factor which requires special attention. Assessment needs to be conducted on the properties of the materials used, including the strength of the materials. The measurement of material properties under thermal processes may reflect residual stresses. The use of Genetic Algorithm (GA to determine the optimal residual stress is one way to determine the strength of a material. In residual stress modeling with several parameters, it is sometimes difficult to solve for the optimal value through analytical or numerical calculations. Here, GA is an efficient algorithm which can generate the optimal values, both minima and maxima. The purposes of this research are to obtain the optimization of variable in residual stress models using GA and to predict the center of residual stress distribution, using fuzzy neural network (FNN while the artificial neural network (ANN used for modeling. In this work a single-material 316/316L stainless steel bar is modeled. The minimal residual stresses of the material at high temperatures were obtained with GA and analytical calculations. At a temperature of 6500C, the GA optimal residual stress estimation converged at –711.3689 MPa at adistance of 0.002934 mm from center point, whereas the analytical calculation result at that temperature and position is -975.556 MPa . At a temperature of 8500C, the GA result was -969.868 MPa at 0.002757 mm from the center point, while with analytical result was -1061.13 MPa. The difference in residual stress between GA and analytical results at a temperatureof6500C is about 27 %, while at 8500C it is 8.67 %. The distribution of residual stress showed a grouping concentrated around a coordinate of (-76; 76 MPa. The residuals stress model is a degree-two polynomial with coefficients of 50.33, -76.54, and -55.2, respectively, with a standard deviation of 7.874.

  7. Screening of the field of a static charge in an anisotropic magnetized plasma

    International Nuclear Information System (INIS)

    Arsenin, V.V.; Puzitskii, M.L.

    1991-01-01

    The field of a static charge placed in an equilibrium plasma is screened at a distance of the order of the Debye radius. Debye screening occurs both with and without an external magnetic field. This property also persists when the plasma is not an equilibrium plasma but the velocity distribution function of the particles is isotropic (the screening radius in this case contains the characteristic value of the energy instead of the temperature). The situation can change if the distribution is anisotropic. First, the drop in the field can become non-Debye. In particular, in an unmagnetized plasma some distribution functions are characterized by a power-law decrease of the field. Second, a static test charge induces a magnetic as well as an electrostatic field in an anisotropic plasma. In this communication the authors describe the anomalies of screening of the field of a static charge in a magnetized plasma. For definiteness they consider a situation (typical, e.g., of magnetic mirror systems) when the ionic component is anisotropic. The simplifications for the sake of computations are limited to the case of a charge which extends along the magnetic field and only harmonics much longer than the Debye length are significant in the Fourier expansion of the density of this charge in the longitudinal coordinate

  8. FAO/IAEA model protocol for the determination of bound residues in soil

    International Nuclear Information System (INIS)

    1986-01-01

    A protocol for determining bound pesticide residue content in soils was developed and collaboratively tested by 11 members of the FAO/IAEA Research Co-ordination Committee. The method assumes prior incubation of soil with a radioactive pesticide or related organic compound. The major process steps of the protocol include: (a) Soxhlet extraction of air-dry soil with methanol for 24 h; (b) determination of radioactivity in unextracted soil, in methanol-extracted soil (yielding bound residue content), and in the methanol extract (yielding extractable residue content); and (c) use of triplicate samples per analysis. The participants received lysimeter soils treated six to seven years earlier with 14 C-allyl alcohol (Soil A) or 14 C-hexachloro-benzene (Soil H). The inter-laboratory results first indicated non-homogeneity of Soil A sub-samples, since the initial and bound radioactivity for four laboratories was about half of that found by the remaining seven laboratories. Intra-laboratory (in one laboratory) analyses of sub-subsamples from six 'high-group' laboratories, two 'low-group' laboratories and two additional laboratories confirmed the homogeneity of Soil A and implicated error in the combustion methods at 'low-group' laboratories. The intra- and inter-laboratory coefficients of variation for initial 14 C-content were 4.7% and 7.0%, respectively. Of the residual 14 C in Soil A, 95% was bound; in contrast, only 15% of 14 C in Soil H was bound. The coefficients of variation among ten laboratories, for Soil H, were 8.4% and 18.1% for percentage extractable residue and percentage bound residue, respectively. Some limited testing of alternative protocols, using other solvents or batch extraction, confirmed that the IAEA protocol was most efficient in the extraction of non-bound radioactivity; pre-wetting Soil A may, however, improve extraction. (author)

  9. Reference Cross Sections for Charged-particle Monitor Reactions

    Science.gov (United States)

    Hermanne, A.; Ignatyuk, A. V.; Capote, R.; Carlson, B. V.; Engle, J. W.; Kellett, M. A.; Kibédi, T.; Kim, G.; Kondev, F. G.; Hussain, M.; Lebeda, O.; Luca, A.; Nagai, Y.; Naik, H.; Nichols, A. L.; Nortier, F. M.; Suryanarayana, S. V.; Takács, S.; Tárkányi, F. T.; Verpelli, M.

    2018-02-01

    Evaluated cross sections of beam-monitor reactions are expected to become the de-facto standard for cross-section measurements that are performed over a very broad energy range in accelerators in order to produce particular radionuclides for industrial and medical applications. The requirements for such data need to be addressed in a timely manner, and therefore an IAEA coordinated research project was launched in December 2012 to establish or improve the nuclear data required to characterise charged-particle monitor reactions. An international team was assembled to recommend more accurate cross-section data over a wide range of targets and projectiles, undertaken in conjunction with a limited number of measurements and more extensive evaluations of the decay data of specific radionuclides. Least-square evaluations of monitor-reaction cross sections including uncertainty quantification have been undertaken for charged-particle beams of protons, deuterons, 3He- and 4He-particles. Recommended beam monitor reaction data with their uncertainties are available at the IAEA-NDS medical portal http://www-nds.iaea.org/medical/monitor_reactions.html.

  10. Monitoring of a Wind Turbine Rotor using a Multi-blade Coordinate Framework

    DEFF Research Database (Denmark)

    Henriksen, Lars Christian; Niemann, Hans Henrik; Poulsen, Niels Kjølstad

    2012-01-01

    into the system. In the case of a wind turbine, an excitation signal is automatically generated by the rotation of the rotor in a turbulent wind eld. Using the multi-blade coordinate transformation, the detection of asymmetries in the rotor of the wind turbine is greatly improved.......In this paper a method to detect asymmetric faults in a wind turbine rotor is presented. The paper describes how fault diagnosis using an observer-based residual generator approach is able to distinguish between the nominal and faulty case by the injection of e.g. a sinusoidal excitation signal...

  11. Control of Flywheel Energy Storage Systems in Electrical Vehicle Charging Stations

    DEFF Research Database (Denmark)

    Sun, Bo

    energy storage system (FESS). The proposed PhD project supports a corresponding smart control strategy that could be termed “charging station to grid (CS2G)”. It explores the possibility of using a dedicated energy storage system (FESS) within the charging station to alleviate grid and market conditions...... converters is built and analyzed. |Based on modeling analysis, centralized and distributed control methods are both explored to realize the coordination control of each components in the system. Specially, this project proposes a “dc voltage vs speed” droop strategy for FESS control based on distributed bus...... function method when the system switches its operation behavior between two modes. Finally, a downscaled FCS prototype with FESS is built in the intelligent MG lab, and experiments and hardware-in-loop simulation results are conducted to verify the effectiveness and feasibility with the proposed FCS...

  12. Coordinated School Health and the Contribution of a District Wellness Coordinator

    Science.gov (United States)

    Westrich, Lisa; Sanchez, Monika; Strobel, Karen

    2015-01-01

    Background: A San Francisco Bay Area school health initiative was established in fall 2010 to improve wellness programs in 4 local school districts using the Coordinated School Health (CSH) model. This study examines the role of district-wide wellness coordinators and the ways in which they contribute to intentional coordination of health and…

  13. State-of-Charge Balance Using Adaptive Droop Control for Distributed Energy Storage Systems in DC MicroGrid Applications

    DEFF Research Database (Denmark)

    Lu, Xiaonan; Sun, Kai; Guerrero, Josep M.

    2014-01-01

    This paper presents the coordinated control of distributed energy storage systems (DESSs) in DC micro-grids. In order to balance the state-of-charge (SoC) of each energy storage unit (ESU), an SoC-based adaptive droop control method is proposed. In this decentralized control method, the droop...

  14. Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm.

    Science.gov (United States)

    Zhang, Qing; Beard, Daniel A; Schlick, Tamar

    2003-12-01

    Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK

  15. Crystal structure of the gamma-2 herpesvirus LANA DNA binding domain identifies charged surface residues which impact viral latency.

    Directory of Open Access Journals (Sweden)

    Bruno Correia

    Full Text Available Latency-associated nuclear antigen (LANA mediates γ2-herpesvirus genome persistence and regulates transcription. We describe the crystal structure of the murine gammaherpesvirus-68 LANA C-terminal domain at 2.2 Å resolution. The structure reveals an alpha-beta fold that assembles as a dimer, reminiscent of Epstein-Barr virus EBNA1. A predicted DNA binding surface is present and opposite this interface is a positive electrostatic patch. Targeted DNA recognition substitutions eliminated DNA binding, while certain charged patch mutations reduced bromodomain protein, BRD4, binding. Virus containing LANA abolished for DNA binding was incapable of viable latent infection in mice. Virus with mutations at the charged patch periphery exhibited substantial deficiency in expansion of latent infection, while central region substitutions had little effect. This deficiency was independent of BRD4. These results elucidate the LANA DNA binding domain structure and reveal a unique charged region that exerts a critical role in viral latent infection, likely acting through a host cell protein(s.

  16. Flanking signal and mature peptide residues influence signal peptide cleavage

    Directory of Open Access Journals (Sweden)

    Ranganathan Shoba

    2008-12-01

    Full Text Available Abstract Background Signal peptides (SPs mediate the targeting of secretory precursor proteins to the correct subcellular compartments in prokaryotes and eukaryotes. Identifying these transient peptides is crucial to the medical, food and beverage and biotechnology industries yet our understanding of these peptides remains limited. This paper examines the most common type of signal peptides cleavable by the endoprotease signal peptidase I (SPase I, and the residues flanking the cleavage sites of three groups of signal peptide sequences, namely (i eukaryotes (Euk (ii Gram-positive (Gram+ bacteria, and (iii Gram-negative (Gram- bacteria. Results In this study, 2352 secretory peptide sequences from a variety of organisms with amino-terminal SPs are extracted from the manually curated SPdb database for analysis based on physicochemical properties such as pI, aliphatic index, GRAVY score, hydrophobicity, net charge and position-specific residue preferences. Our findings show that the three groups share several similarities in general, but they display distinctive features upon examination in terms of their amino acid compositions and frequencies, and various physico-chemical properties. Thus, analysis or prediction of their sequences should be separated and treated as distinct groups. Conclusion We conclude that the peptide segment recognized by SPase I extends to the start of the mature protein to a limited extent, upon our survey of the amino acid residues surrounding the cleavage processing site. These flanking residues possibly influence the cleavage processing and contribute to non-canonical cleavage sites. Our findings are applicable in defining more accurate prediction tools for recognition and identification of cleavage site of SPs.

  17. National and subnational HIV/AIDS coordination: are global health initiatives closing the gap between intent and practice?

    Directory of Open Access Journals (Sweden)

    Rukhadze Natia

    2010-03-01

    Full Text Available Abstract Background A coordinated response to HIV/AIDS remains one of the 'grand challenges' facing policymakers today. Global health initiatives (GHIs have the potential both to facilitate and exacerbate coordination at the national and subnational level. Evidence of the effects of GHIs on coordination is beginning to emerge but has hitherto been limited to single-country studies and broad-brush reviews. To date, no study has provided a focused synthesis of the effects of GHIs on national and subnational health systems across multiple countries. To address this deficit, we review primary data from seven country studies on the effects of three GHIs on coordination of HIV/AIDS programmes: the Global Fund to Fight AIDS, Tuberculosis and Malaria, the President's Emergency Plan for AIDS Relief (PEPFAR, and the World Bank's HIV/AIDS programmes including the Multi-country AIDS Programme (MAP. Methods In-depth interviews were conducted at national and subnational levels (179 and 218 respectively in seven countries in Europe, Asia, Africa and South America, between 2006 and 2008. Studies explored the development and functioning of national and subnational HIV coordination structures, and the extent to which coordination efforts around HIV/AIDS are aligned with and strengthen country health systems. Results Positive effects of GHIs included the creation of opportunities for multisectoral participation, greater political commitment and increased transparency among most partners. However, the quality of participation was often limited, and some GHIs bypassed coordination mechanisms, especially at the subnational level, weakening their effectiveness. Conclusions The paper identifies residual national and subnational obstacles to effective coordination and optimal use of funds by focal GHIs, which these GHIs, other donors and country partners need to collectively address.

  18. Effect of solvent on the charging mechanisms of poly(ethylene glycol) in droplets

    Science.gov (United States)

    Soltani, Sepideh; Oh, Myong In; Consta, Styliani

    2015-03-01

    We examine the effect of solvent on the charging mechanisms of a macromolecule in a droplet by using molecular dynamics simulations. The droplet contains excess charge that is carried by sodium ions. To investigate the principles of the charging mechanisms of a macromolecule in a droplet, we simulate aqueous and methanol droplets that contain a poly(ethylene glycol) (PEG) molecule. We find that the solvent plays a critical role in the charging mechanism and in the manner that the sodiated PEG emerges from a droplet. In the aqueous droplets, the sodiated PEG is released from the droplet while it is being charged at a droplet charge state below the Rayleigh limit. The charging of PEG occurs on the surface of the droplet. In contrast to the aqueous droplets, in the methanol droplet, the sodiated PEG resides in the interior of the droplet and it may become charged at any location in the droplet, interior or surface. The sodiated PEG emerges from the droplet by drying-out of the solvent. Even though these two mechanisms appear to be phenomenologically similar to the widely accepted ion-evaporation and charge-residue mechanisms, they have fundamental differences from those. An integral part of the mechanism that the macromolecular ions emerge from droplets is the droplet morphology. Droplet morphologies give rise to different solvation interactions between the solvent and the macromolecule. In the water-sodiated PEG system, we find the extrusion of the PEG morphology, while in methanol-sodiated droplet, we find the "pearl-on-the-necklace" morphology and the extrusion of the sodiated PEG in the last stage of the desolvation process. These findings provide insight into the mechanisms that macromolecules acquire their charge in droplets produced in electrospray ionization experiments.

  19. Autonomous Control of Distributed Generation and Storage to Coordinate P/Q Sharing in Islanded Microgrids

    DEFF Research Database (Denmark)

    Wu, Dan; Tang, Fen; Guerrero, Josep M.

    2014-01-01

    In this paper, a decentralized control for coordinate both active and reactive powers is proposed for islanded microgrids. Compared with the conventional droop control strategies, the proposed control realizes decentralized power distribution among renewable energy sources (RES) and energy storage...... systems (ESS) according to the local source conditions. Based on bus-signaling method, the ESS is able to limit charging power by decreasing RES power generation automatically. As well, the reactive power coordinated control makes the RES units able to support reactive power in a decentralized way, which...... allows ESS providing for more active power availability. Moreover, the reactive power is distributed according to the apparent power capacity of each unit. The control strategy principle is simple and easy to implement without extra communication requirements. Real time hardware-in-the-loop results...

  20. Spin distribution of evaporation residues formed in complete and incomplete fusion in 16O+154Sm system

    Science.gov (United States)

    Singh, D.; Linda, Sneha B.; Giri, Pankaj K.; Mahato, Amritraj; Tripathi, R.; Kumar, Harish; Afzal Ansari, M.; Sathik, N. P. M.; Ali, Rahbar; Kumar, Rakesh; Muralithar, S.; Singh, R. P.

    2017-11-01

    Spin distributions for several evaporation residues populated in the 16O+154Sm system have been measured at projectile energy ≈ 6.2 MeV/A by using the charged particle-γ-coincidence technique. The measured spin distributions of the evaporation residues populated through incomplete fusion associated with 'fast' α and 2α-emission channels are found to be entirely different from fusion-evaporation channels. It is observed that the mean input angular momentum for the evaporation residues formed in incomplete fusion channel is relatively higher than that observed for evaporation residues in complete fusion channels. The feeding intensity profile of evaporation residues populated through complete fusion and incomplete fusion have also been studied. The incomplete fusion channels are found to have narrow range feeding only for high spin states, while complete fusion channels are strongly fed over a broad spin range and widely populated. Comparison of present results with earlier data suggests that the mean input angular momentum values are relatively smaller for spherical target than that of deformed target using the same projectile and incident energy highlighting the role of target deformation in incomplete fusion dynamics.

  1. Spin distribution of evaporation residues formed in complete and incomplete fusion in 16O+154Sm system

    Directory of Open Access Journals (Sweden)

    D. Singh

    2017-11-01

    Full Text Available Spin distributions for several evaporation residues populated in the 16O+154Sm system have been measured at projectile energy ≈ 6.2 MeV/A by using the charged particle–γ-coincidence technique. The measured spin distributions of the evaporation residues populated through incomplete fusion associated with ‘fast’ α and 2α-emission channels are found to be entirely different from fusion–evaporation channels. It is observed that the mean input angular momentum for the evaporation residues formed in incomplete fusion channel is relatively higher than that observed for evaporation residues in complete fusion channels. The feeding intensity profile of evaporation residues populated through complete fusion and incomplete fusion have also been studied. The incomplete fusion channels are found to have narrow range feeding only for high spin states, while complete fusion channels are strongly fed over a broad spin range and widely populated. Comparison of present results with earlier data suggests that the mean input angular momentum values are relatively smaller for spherical target than that of deformed target using the same projectile and incident energy highlighting the role of target deformation in incomplete fusion dynamics.

  2. Simulations of space charge neutralization in a magnetized electron cooler

    Energy Technology Data Exchange (ETDEWEB)

    Gerity, James [Texas A-M; McIntyre, Peter M. [Texas A-M; Bruhwiler, David Leslie [RadiaSoft, Boulder; Hall, Christopher [RadiaSoft, Boulder; Moens, Vince Jan [Ecole Polytechnique, Lausanne; Park, Chong Shik [Fermilab; Stancari, Giulio [Fermilab

    2017-02-02

    Magnetized electron cooling at relativistic energies and Ampere scale current is essential to achieve the proposed ion luminosities in a future electron-ion collider (EIC). Neutralization of the space charge in such a cooler can significantly increase the magnetized dynamic friction and, hence, the cooling rate. The Warp framework is being used to simulate magnetized electron beam dynamics during and after the build-up of neutralizing ions, via ionization of residual gas in the cooler. The design follows previous experiments at Fermilab as a verification case. We also discuss the relevance to EIC designs.

  3. Variationally optimal selection of slow coordinates and reaction coordinates in macromolecular systems

    Science.gov (United States)

    Noe, Frank

    To efficiently simulate and generate understanding from simulations of complex macromolecular systems, the concept of slow collective coordinates or reaction coordinates is of fundamental importance. Here we will introduce variational approaches to approximate the slow coordinates and the reaction coordinates between selected end-states given MD simulations of the macromolecular system and a (possibly large) basis set of candidate coordinates. We will then discuss how to select physically intuitive order paremeters that are good surrogates of this variationally optimal result. These result can be used in order to construct Markov state models or other models of the stationary and kinetics properties, in order to parametrize low-dimensional / coarse-grained model of the dynamics. Deutsche Forschungsgemeinschaft, European Research Council.

  4. Near-Horizon Geodesics for Astrophysical and Idealised Black Holes: Coordinate Velocity and Coordinate Acceleration

    Directory of Open Access Journals (Sweden)

    Petarpa Boonserm

    2018-05-01

    Full Text Available Geodesics (by definition have an intrinsic 4-acceleration zero. However, when expressed in terms of coordinates, the coordinate acceleration d 2 x i / d t 2 can very easily be non-zero, and the coordinate velocity d x i / d t can behave unexpectedly. The situation becomes extremely delicate in the near-horizon limit—for both astrophysical and idealised black holes—where an inappropriate choice of coordinates can quite easily lead to significant confusion. We shall carefully explore the relative merits of horizon-penetrating versus horizon-non-penetrating coordinates, arguing that in the near-horizon limit the coordinate acceleration d 2 x i / d t 2 is best interpreted in terms of horizon-penetrating coordinates.

  5. The production of residual nuclides in Pb irradiated by 400 MeV/u carbon ions

    Energy Technology Data Exchange (ETDEWEB)

    Ge, H.L. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Ma, F., E-mail: mf@impcas.ac.cn [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhang, X.Y.; Ju, Y.Q.; Zhang, H.B.; Chen, L.; Luo, P. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Zhou, B. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Zhang, Y.B.; Li, J.Y.; Xu, J.K. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Liang, T.J. [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Wang, S.L. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Yang, Y.W.; Yang, L. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2014-10-15

    The experiment was performed by irradiating a Pb foil with 400 MeV/u carbon beam at the HIRFL-CSR in Lanzhou, China. The experimental data was acquired by the off-line γ-spectroscopy method. 32 radioactive residual nuclides had been observed and their cross sections were determined. The measured results were compared with the results simulated by Monte Carlo code MCNPX2.7.0. The comparison shows that the simulated cross sections were underestimated for the fragments from A = 20 to 41 and A = 110 to 175. By fitting the measured and simulated cross sections to Rudstams semi-empirical formula, it was found that the charge distribution of products was asymmetric for the residual nuclides with a high mass number.

  6. Systematics of pion double charge exchange

    International Nuclear Information System (INIS)

    Gilman, R.A.

    1985-10-01

    Differential cross sections have been measured for pion-induced double-charge-exchange (DCX) reactions leading to double-isobaric-analog states (DIAS) and low-lying nonanalog states in the residual nuclei. A description of the experimental details and data analysis is presented. The experimentally observed systematics of reactions leading to DIAS, to nonanalog ground states, and to low-lying 2 + states are described. Lowest-order optical-model calculations of DIAS DCX are compared to the data. Efforts to understand the anomalies by invoking additional reaction-mechanism amplitudes and a higher-order optical potential are described. Calculations of nonanalog DCX reactions leading to J/sup π/ = 0 + states were performed within a distorted-wave impulse-approximation framework. The sensitivities of these calculations to input parameters are discussed. 58 refs., 41 figs., 16 tabs

  7. Demonstration of AC and DC charge control for the LISA test masses

    Science.gov (United States)

    Olatunde, Taiwo Janet

    2018-01-01

    Taiwo Olatunde, Stephen Apple, Andrew Chilton, Samantha Parry, Peter Wass, Guido Mueller, John W. Conklin The residual test mass acceleration in LISA must be below 3 fm/s2/√Hz at all frequencies between 0.1 and 3 mHz. Test mass charge coupled with stray electrical potentials and external electromagnetic fields is a well-known source of acceleration noise. LISA Pathfinder uses Hg lamps emitting mostly around 254 nm to discharge the test masses via photoemission, but a future LISA mission launched around 2030 will likely replace the lamps with newer UV LEDs with lower mass, better power efficiency, smaller size and higher bandwidth. This presentation will discuss charge control demonstrated on the torsion pendulum in AC and DC modes at the University of Florida using latest generation UV LEDs producing light at 240 nm with energy above the work function of pure Au. Initial results of Au quantum efficiency measurements (number of emitted electrons per incident photons) which is critical for bi-polar charge control will also be presented.

  8. Space charge compensation on the low energy beam transport of Linac4

    CERN Document Server

    AUTHOR|(SzGeCERN)733270; Scrivens, Richard; Jesus Castillo, Santos

    Part of the upgrade program in the injector chains of the CERN accelerator complex is the replacement of the the proton accelerator Linac2 for the brand new Linac4 which will accelerate H$^-$ and its main goal is to increase the beam intensity in the next sections of the LHC accelerator chain. The Linac4 is now under commissioning and will use several ion sources to produce high intensity unbunched H$^-$ beams with different properties, and the low energy beam transport (LEBT) is the system in charge of match all these different beams to the Radio frequency quadrupole (RFQ). The space charge forces that spread the beam ions apart of each other and cause emittance growth limits the maximum intensity that can be transported in the LEBT, but the space charge of intense unbunched ion beams can be compensated by the generated ions by the impact ionization of the residual gas, which creates a source of secondary particles inside the beam pipe. For negative ion beams, the effect of the beam electric field is to ex...

  9. Coordination, non-coordination and semi-coordination of perchlorates in the lanthanide adducts Ln (CLO4)3. 6dmba

    International Nuclear Information System (INIS)

    Tfouni, E.; Giesbrecht, E.

    1983-01-01

    The coordination or not of the perchlorate anions in the previously reported Ln(CLO 4 ) 3 .6 dmba is discussed. The analysis of the infrared spectral data and molar conductance data indicate that they may be formulated as [Ln(dmba) 6 (CLO 4 )n] (CLO 4 ) sub(3-n), n=0,1,2. The individual compounds may be a mixture of species with different n values and/or pure compounds with semi-coordinated and non-coordinated perchlorates. (Author) [pt

  10. Cytidine deaminases from B. subtilis and E. coli: compensating effects of changing zinc coordination and quaternary structure.

    Science.gov (United States)

    Carlow, D C; Carter, C W; Mejlhede, N; Neuhard, J; Wolfenden, R

    1999-09-21

    Cytidine deaminase from E. coli is a dimer of identical subunits (M(r) = 31 540), each containing a single zinc atom. Cytidine deaminase from B. subtilis is a tetramer of identical subunits (M(r) = 14 800). After purification from an overexpressing strain, the enzyme from B. subtilis is found to contain a single atom of zinc per enzyme subunit by flame atomic absorption spectroscopy. Fluorescence titration indicates that each of the four subunits contains a binding site for the transition state analogue inhibitor 5-fluoro-3,4-dihydrouridine. A region of amino acid sequence homology, containing residues that are involved in zinc coordination in the enzyme from E. coli, strongly suggests that in the enzyme from B. subtilis, zinc is coordinated by the thiolate side chains of three cysteine residues (Cys-53, Cys-86, and Cys-89) [Song, B. H., and Neuhard, J. (1989) Mol. Gen. Genet. 216, 462-468]. This pattern of zinc coordination appears to be novel for a hydrolytic enzyme, and might be expected to reduce the reactivity of the active site substantially compared with that of the enzyme from E. coli (His-102, Cys-129, and Cys-132). Instead, the B. subtilis and E. coli enzymes are found to be similar in their activities, and also in their relative binding affinities for a series of structurally related inhibitors with binding affinities that span a range of 6 orders of magnitude. In addition, the apparent pK(a) value of the active site is shifted upward by less than 1 unit. Sequence alignments, together with model building, suggest one possible mechanism of compensation.

  11. Motor coordination uses external spatial coordinates independent of developmental vision.

    Science.gov (United States)

    Heed, Tobias; Röder, Brigitte

    2014-07-01

    The constraints that guide bimanual movement coordination are informative about the processing principles underlying movement planning in humans. For example, symmetry relative to the body midline benefits finger and hand movements independent of hand posture. This symmetry constraint has been interpreted to indicate that movement coordination is guided by a perceptual code. Although it has been assumed implicitly that the perceptual system at the heart of this constraint is vision, this relationship has not been tested. Here, congenitally blind and sighted participants made symmetrical and non-symmetrical (that is, parallel) bimanual tapping and finger oscillation movements. For both groups, symmetrical movements were executed more correctly than parallel movements, independent of anatomical constraints like finger homology and hand posture. For the blind, the reliance on external spatial factors in movement coordination stands in stark contrast to their use of an anatomical reference frame in perceptual processing. Thus, the externally coded symmetry constraint evident in bimanual coordination can develop in the absence of the visual system, suggesting that the visual system is not critical for the establishment of an external-spatial reference frame in movement coordination. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Coordination Environments of Highly Charged Cations (Ti, Cr, and Light REE's) in Borosilicate Glass/Melts to 1120C

    Energy Technology Data Exchange (ETDEWEB)

    Farges, Francois; /Museum Natl. Hist. Natur. /Stanford U., Geo. Environ. Sci.; Brown, Gordon E., Jr.; /Stanford U., Geo. Environ Sci. /SLAC, SSRL

    2007-01-02

    The local environments around Ti, Cr, and several light rare-earth elements (La, Ce, and Nd) were investigated by in-situ XANES spectroscopy in a number of complex borosilicate glasses and melts (to 1120 C) that are used for nuclear waste storage. Examination of the high-resolution XANES spectra at the Ti K-edge shows that the average coordination of Ti changes from {approx}5 to {approx}4.5. Cr is dominantly trivalent in the melts studied. However, its average coordination is probably lower in the melt (tetrahedral ?) as revealed by the more intense Cr-K pre-edge feature. Ce also changes its average valence from dominantly +4 to +3.5 upon glass melting. These changes are reversible at T{sub g}, the glass transition temperature ({approx}500-550 C for these glasses). In contrast, the local environments of Nd, Pr, and La are unaffected by melting. Therefore, structural reorganization of these borosilicate glass/melts above T{sub g} is variable, not only in terms of valence (as for Ce) but also speciation (Ti and Cr). Both the ability of B to adopt various coordination geometries (triangular and tetrahedral) and the chemical complexity of the glass/melts explain these changes.

  13. A survey of residual analysis and a new test of residual trend.

    Science.gov (United States)

    McDowell, J J; Calvin, Olivia L; Klapes, Bryan

    2016-05-01

    A survey of residual analysis in behavior-analytic research reveals that existing methods are problematic in one way or another. A new test for residual trends is proposed that avoids the problematic features of the existing methods. It entails fitting cubic polynomials to sets of residuals and comparing their effect sizes to those that would be expected if the sets of residuals were random. To this end, sampling distributions of effect sizes for fits of a cubic polynomial to random data were obtained by generating sets of random standardized residuals of various sizes, n. A cubic polynomial was then fitted to each set of residuals and its effect size was calculated. This yielded a sampling distribution of effect sizes for each n. To test for a residual trend in experimental data, the median effect size of cubic-polynomial fits to sets of experimental residuals can be compared to the median of the corresponding sampling distribution of effect sizes for random residuals using a sign test. An example from the literature, which entailed comparing mathematical and computational models of continuous choice, is used to illustrate the utility of the test. © 2016 Society for the Experimental Analysis of Behavior.

  14. Ionic interaction of myosin loop 2 with residues located beyond the N-terminal part of actin probed by chemical cross-linking.

    Science.gov (United States)

    Pliszka, Barbara; Martin, Brian M; Karczewska, Emilia

    2008-02-01

    To probe ionic contacts of skeletal muscle myosin with negatively charged residues located beyond the N-terminal part of actin, myosin subfragment 1 (S1) and actin split by ECP32 protease (ECP-actin) were cross-linked with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC). We have found that unmodified S1 can be cross-linked not only to the N-terminal part, but also to the C-terminal 36 kDa fragment of ECP-actin. Subsequent experiments performed on S1 cleaved by elastase or trypsin indicate that the cross-linking site in S1 is located within loop 2. This site is composed of Lys-636 and Lys-637 and can interact with negatively charged residues of the 36 kDa actin fragment, most probably with Glu-99 and Glu-100. Cross-links are formed both in the absence and presence of MgATP.P(i) analog, although the addition of nucleotide decreases the efficiency of the cross-linking reaction.

  15. 240 nm UV LEDs for LISA test mass charge control

    Science.gov (United States)

    Olatunde, Taiwo; Shelley, Ryan; Chilton, Andrew; Serra, Paul; Ciani, Giacomo; Mueller, Guido; Conklin, John

    2015-05-01

    Test Masses inside the LISA Gravitational Reference Sensor must maintain almost pure geodesic motion for gravitational waves to be successfully detected. LISA requires residual test mass accelerations below 3 fm/s2/√Hz at all frequencies between 0.1 and 3 mHz. One of the well-known noise sources is associated with the charges on the test masses which couple to stray electrical potentials and external electromagnetic fields. LISA Pathfinder will use Hg-discharge lamps emitting mostly around 254 nm to discharge the test masses via photoemission in its 2015/16 flight. A future LISA mission launched around 2030 will likely replace the lamps with newer UV-LEDs. Presented here is a preliminary study of the effectiveness of charge control using latest generation UV-LEDs which produce light at 240 nm with energy above the work function of pure Au. Their lower mass, better power efficiency and small size make them an ideal replacement for Hg lamps.

  16. 240 nm UV LEDs for LISA test mass charge control

    International Nuclear Information System (INIS)

    Olatunde, Taiwo; Shelley, Ryan; Chilton, Andrew; Serra, Paul; Ciani, Giacomo; Mueller, Guido; Conklin, John

    2015-01-01

    Test Masses inside the LISA Gravitational Reference Sensor must maintain almost pure geodesic motion for gravitational waves to be successfully detected. LISA requires residual test mass accelerations below 3 fm/s 2 /√Hz at all frequencies between 0.1 and 3 mHz. One of the well-known noise sources is associated with the charges on the test masses which couple to stray electrical potentials and external electromagnetic fields. LISA Pathfinder will use Hg-discharge lamps emitting mostly around 254 nm to discharge the test masses via photoemission in its 2015/16 flight. A future LISA mission launched around 2030 will likely replace the lamps with newer UV-LEDs. Presented here is a preliminary study of the effectiveness of charge control using latest generation UV-LEDs which produce light at 240 nm with energy above the work function of pure Au. Their lower mass, better power efficiency and small size make them an ideal replacement for Hg lamps. (paper)

  17. A 64-channel integrated circuit for signal readout from coordinate detectors

    International Nuclear Information System (INIS)

    Aulchenko, V.; Shekhtman, L.; Zhulanov, V.

    2017-01-01

    A specialized integrated circuit was developed for the readout of signal from coordinate detectors of different types, including gas micro-pattern detectors and silicon microstrip detectors. The ASIC includes 64 channels, each containing a low-noise charge-sensitive amplifier with a connectable feedback capacitor and resistor, and fast reset of the feedback capacitor. Each channel of the ASIC also contains 100 cells of analogue memory where the signal can be stored at a rate of 10 MHz. The pitch of input pads is 50 μm and the chip size is 5× 5 mm 2 . The equivalent noise charge of the ASIC channel is about 2000 electrons with 10 pF capacitance at the input and maximal signal before saturation corresponds to 2× 10 6 electrons. The first application for this ASIC is the detector for imaging of explosions at a synchrotron radiation beam (DIMEX), where it has to substitute the old and slower APC128 ASIC. The full-size electronics including 8 ASICs for 512 channels was assembled and tested.

  18. Investigating the Constrained Action Hypothesis: A Movement Coordination and Coordination Variability Approach.

    Science.gov (United States)

    Vidal, Anthony; Wu, Will; Nakajima, Mimi; Becker, James

    2017-09-19

    The purpose of this study was to examine the effects of focus of attention cues on movement coordination and coordination variability in the lower extremity. Twenty participants performed the standing long jump under both internal and external focus of attention conditions. A modified vector coding technique was used to evaluate the influence of attentional focus cues on lower extremity coordination patterns and coordination variability during the jumps. Participants jumped significantly further under an external focus of attention condition compared with an internal focus of attention condition (p = .035, effect size = .29). Focus of attention also influenced coordination between the ankle and knee, F(6, 19) = 2.87, p = .012, effect size = .388, with participants primarily using their knees under the internal focus of attention, and using both their ankles and knees under the external focus of attention. Attentional focus cues did not influence ankle-knee, F(1, 19) = 0.02, p = .98, effect size = .02, or hip-knee, F(1, 19) = 5.00, p = .49, effect size = .16, coordination variability. Results suggest that while attentional focus may not directly influence movement coordination condition, there is still a change in movement strategy resulting in greater jump distances following an external focus of attention.

  19. Coordinated control of three-phase AC and DC type EV–ESSs for efficient hybrid microgrid operations

    International Nuclear Information System (INIS)

    Rahman, Md Shamiur; Hossain, M.J.; Lu, Junwei

    2016-01-01

    Highlights: • A coordinated control is proposed for three-phase AC and DC type electric vehicles. • A four-quadrant interlinking converter is designed for hybrid microgrid operations. • Concurrent real irradiation data and commercial load profile are used for testing. • Unbalanced scenario due to single-phase electric vehicle charging is considered. • Improved AC and DC bus voltages and frequency regulations are achieved. - Abstract: This paper presents a three-layered coordinated control to incorporate three-phase (3P) alternating current (AC) and direct current (DC) type electric vehicle energy storage systems (EV–ESSs) for improved hybrid AC/DC microgrid operations. The first layer of the algorithm ensures DC subgrid management by regulating the DC bus voltage and DC side power management. The second and third layer manages AC subgrid by regulating the AC bus voltage and the frequency by managing reactive and active power respectively. The multi-layered coordination is embedded into the microgrid central controller (MGCC) which controls the interlinking controller in between AC and DC microgrid and the interfacing controllers of the participating electric vehicles (EVs) and distributed generation (DG) units. The whole system is designed in MATLAB/SIMULINK® environment resembling the under construction microgrid at Griffith University, Australia. Extensive case studies are performed using real life irradiation data and commercial loads of the campus buildings. Impacts of homogeneous and heterogeneous single-phase EV charging are investigated to observe both balanced and unbalanced scenarios. Synchronization during the transition from the islanded to grid-tied mode is tested considering a contingency situation. From the comparative simulation results it is evident that the proposed controller exhibits effective, reliable and robust performance for all the cases.

  20. Charge states of ions, and mechanisms of charge ordering transitions

    Science.gov (United States)

    Pickett, Warren E.; Quan, Yundi; Pardo, Victor

    2014-07-01

    To gain insight into the mechanism of charge ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2Mn+→M(n+1)+ + M(n-1)+, we (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new results for the putative charge ordering compound AgNiO2 and the dual charge state insulator AgO, and (3) analyze the cationic occupations of the actual (not formal) charge, and work to reconcile the conundrums that arise. We establish that several of the clearest cases of charge ordering transitions involve no disproportion (no charge transfer between the cations, and hence no charge ordering), and that the experimental data used to support charge ordering can be accounted for within density functional-based calculations that contain no charge transfer between cations. We propose that the charge state picture retains meaning and importance, at least in many cases, if one focuses on Wannier functions rather than atomic orbitals. The challenge of modeling charge ordering transitions with model Hamiltonians isdiscussed.

  1. Anomalous columnar order of charged colloidal platelets

    Science.gov (United States)

    Morales-Anda, L.; Wensink, H. H.; Galindo, A.; Gil-Villegas, A.

    2012-01-01

    Monte Carlo computer simulations are carried out for a model system of like-charged colloidal platelets in the isothermal-isobaric ensemble (NpT). The aim is to elucidate the role of electrostatic interactions on the structure of synthetic clay systems at high particle densities. Short-range repulsions between particles are described by a suitable hard-core model representing a discotic particle. This potential is supplemented with an electrostatic potential based on a Yukawa model for the screened Coulombic potential between infinitely thin disklike macro-ions. The particle aspect-ratio and electrostatic parameters were chosen to mimic an aqueous dispersion of thin, like-charged, rigid colloidal platelets at finite salt concentration. An examination of the fluid phase diagram reveals a marked shift in the isotropic-nematic transition compared to the hard cut-sphere reference system. Several statistical functions, such as the pair correlation function for the center-of-mass coordinates and structure factor, are obtained to characterize the structural organization of the platelets phases. At low salinity and high osmotic pressure we observe anomalous hexagonal columnar structures characterized by interpenetrating columns with a typical intercolumnar distance corresponding to about half of that of a regular columnar phase. Increasing the ionic strength leads to the formation of glassy, disordered structures consisting of compact clusters of platelets stacked into finite-sized columns. These so-called "nematic columnar" structures have been recently observed in systems of charge-stabilized gibbsite platelets. Our findings are corroborated by an analysis of the static structure factor from a simple density functional theory.

  2. Analysis of martensitic transformation and residual tension in an 304L stainless steel

    International Nuclear Information System (INIS)

    Alves, Juciane Maria

    2014-01-01

    The relationship between plastic deformation and the strain induced phase transformation, that provides a practical route to the development of new engineering materials with excellent mechanical properties, characterize the TRIP effect 'Transformation Induced Plasticity'. Among the stainless steels, the metastable 304 L austenitic steel is susceptible to transformation of austenite-martensite phase from tensile tests at room temperature by increments of plastic deformation. It is of great technological and scientific interest the knowledge of the evolution of phase transformation and residual stress from different levels and rates of plastic deformation imposed to the material. It is also important to evaluate the interference of metallographic preparation in quantitative analyzes of this steel. The main techniques used in this study consisted of X-rays diffraction and Ferritoscopy for the quantitation phase, and XRD to residual stress analysis also. As observed, the phase transformation quantification has not suffered significant influence of the metallographic preparation and evolved from increments of plastic deformation due to different stop charges and strain rates, leading to a further strengthening of the austenite matrix. The evaluation of residual stress resulting from the martensitic transformation was susceptible to the metallographic preparation and increased its value on comparison to sample without metallographic preparation. It was also observed that the residual stress decreased with the increase of the fraction of transformed martensite. (author)

  3. The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building.

    Science.gov (United States)

    Dupradeau, François-Yves; Pigache, Adrien; Zaffran, Thomas; Savineau, Corentin; Lelong, Rodolphe; Grivel, Nicolas; Lelong, Dimitri; Rosanski, Wilfried; Cieplak, Piotr

    2010-07-28

    Deriving atomic charges and building a force field library for a new molecule are key steps when developing a force field required for conducting structural and energy-based analysis using molecular mechanics. Derivation of popular RESP charges for a set of residues is a complex and error prone procedure because it depends on numerous input parameters. To overcome these problems, the R.E.D. Tools (RESP and ESP charge Derive, ) have been developed to perform charge derivation in an automatic and straightforward way. The R.E.D. program handles chemical elements up to bromine in the periodic table. It interfaces different quantum mechanical programs employed for geometry optimization and computing molecular electrostatic potential(s), and performs charge fitting using the RESP program. By defining tight optimization criteria and by controlling the molecular orientation of each optimized geometry, charge values are reproduced at any computer platform with an accuracy of 0.0001 e. The charges can be fitted using multiple conformations, making them suitable for molecular dynamics simulations. R.E.D. allows also for defining charge constraints during multiple molecule charge fitting, which are used to derive charges for molecular fragments. Finally, R.E.D. incorporates charges into a force field library, readily usable in molecular dynamics computer packages. For complex cases, such as a set of homologous molecules belonging to a common family, an entire force field topology database is generated. Currently, the atomic charges and force field libraries have been developed for more than fifty model systems and stored in the RESP ESP charge DDataBase. Selected results related to non-polarizable charge models are presented and discussed.

  4. Battery charging control methods, electric vehicle charging methods, battery charging apparatuses and rechargeable battery systems

    Science.gov (United States)

    Tuffner, Francis K [Richland, WA; Kintner-Meyer, Michael C. W. [Richland, WA; Hammerstrom, Donald J [West Richland, WA; Pratt, Richard M [Richland, WA

    2012-05-22

    Battery charging control methods, electric vehicle charging methods, battery charging apparatuses and rechargeable battery systems. According to one aspect, a battery charging control method includes accessing information regarding a presence of at least one of a surplus and a deficiency of electrical energy upon an electrical power distribution system at a plurality of different moments in time, and using the information, controlling an adjustment of an amount of the electrical energy provided from the electrical power distribution system to a rechargeable battery to charge the rechargeable battery.

  5. Charge imbalance

    International Nuclear Information System (INIS)

    Clarke, J.

    1981-01-01

    This article provides a long theoretical development of the main ideas of charge imbalance in superconductors. Concepts of charge imbalance and quasiparticle charge are introduced, especially in regards to the use of tunnel injection in producing and detecting charge imbalance. Various mechanisms of charge relaxation are discussed, including inelastic scattering processes, elastic scattering in the presence of energy-gap anisotropy, and various pair-breaking mechanisms. In each case, present theories are reviewed in comparison with experimental data

  6. Charge-leveling and proper treatment of long-range electrostatics in all-atom molecular dynamics at constant pH.

    Science.gov (United States)

    Wallace, Jason A; Shen, Jana K

    2012-11-14

    Recent development of constant pH molecular dynamics (CpHMD) methods has offered promise for adding pH-stat in molecular dynamics simulations. However, until now the working pH molecular dynamics (pHMD) implementations are dependent in part or whole on implicit-solvent models. Here we show that proper treatment of long-range electrostatics and maintaining charge neutrality of the system are critical for extending the continuous pHMD framework to the all-atom representation. The former is achieved here by adding forces to titration coordinates due to long-range electrostatics based on the generalized reaction field method, while the latter is made possible by a charge-leveling technique that couples proton titration with simultaneous ionization or neutralization of a co-ion in solution. We test the new method using the pH-replica-exchange CpHMD simulations of a series of aliphatic dicarboxylic acids with varying carbon chain length. The average absolute deviation from the experimental pK(a) values is merely 0.18 units. The results show that accounting for the forces due to extended electrostatics removes the large random noise in propagating titration coordinates, while maintaining charge neutrality of the system improves the accuracy in the calculated electrostatic interaction between ionizable sites. Thus, we believe that the way is paved for realizing pH-controlled all-atom molecular dynamics in the near future.

  7. Summary report of the consultants' meeting on improvements in charged-particle monitor reactions and nuclear data for medical isotope production

    International Nuclear Information System (INIS)

    Capote Noy, R.; Nortier, F.M.

    2011-09-01

    A Consultants' Meeting on 'Improvements in Charged-Particle Monitor Reactions and Nuclear Data for Medical Isotope Production' was held at IAEA Headquarters, Vienna, Austria to define the scope, deliverables and appropriate work programme of a possible Coordinated Research Project (CRP) on the subject. The main data areas requiring improvements are monitor reactions for charged-particle beams, production of novel positron emitters, and production of alpha emitters. In all these areas special attention was also given to the need for measurements and re-evaluations of decay data. Detailed deliverables of the planned CRP were proposed. (author)

  8. Centrally extended residual symmetries in the presence of a constant EM background

    International Nuclear Information System (INIS)

    Toppan, F.

    2001-12-01

    In this talk I discuss the properties of the symmetry algebra (denominated 'residual symmetry') of a QFT in the presence of a non-vanishing, constant, electro-magnetic background. It is shown that this problem can be formulated and solved on a purely Lie-algebra ground (it is model-independent). One of its simplest consequences consists in recovering the central extension in the commutator of the translations, associated with the abelian U(1) charge. For illustrative purposes the case of the (2+1)-dimensional Poincare invariant QFTs coupled with a constant external EM background is discussed in detail. The deformed (and gauge-fixing dependent) surviving Poincare generators are explicitly computed. In the generic case the residual symmetry algebra is isomorphic to u(1)+P c (2), where P c (2) is the centrally extended 2-dimensional Poincare algebra. The connection with the Noncommutative Field Theories is briefly mentioned. A short discussion concerning the possible physical implications and the outline of the forthcoming research is given. (author)

  9. Evaluation of vertical coordinate and vertical mixing algorithms in the HYbrid-Coordinate Ocean Model (HYCOM)

    Science.gov (United States)

    Halliwell, George R.

    Vertical coordinate and vertical mixing algorithms included in the HYbrid Coordinate Ocean Model (HYCOM) are evaluated in low-resolution climatological simulations of the Atlantic Ocean. The hybrid vertical coordinates are isopycnic in the deep ocean interior, but smoothly transition to level (pressure) coordinates near the ocean surface, to sigma coordinates in shallow water regions, and back again to level coordinates in very shallow water. By comparing simulations to climatology, the best model performance is realized using hybrid coordinates in conjunction with one of the three available differential vertical mixing models: the nonlocal K-Profile Parameterization, the NASA GISS level 2 turbulence closure, and the Mellor-Yamada level 2.5 turbulence closure. Good performance is also achieved using the quasi-slab Price-Weller-Pinkel dynamical instability model. Differences among these simulations are too small relative to other errors and biases to identify the "best" vertical mixing model for low-resolution climate simulations. Model performance deteriorates slightly when the Kraus-Turner slab mixed layer model is used with hybrid coordinates. This deterioration is smallest when solar radiation penetrates beneath the mixed layer and when shear instability mixing is included. A simulation performed using isopycnic coordinates to emulate the Miami Isopycnic Coordinate Ocean Model (MICOM), which uses Kraus-Turner mixing without penetrating shortwave radiation and shear instability mixing, demonstrates that the advantages of switching from isopycnic to hybrid coordinates and including more sophisticated turbulence closures outweigh the negative numerical effects of maintaining hybrid vertical coordinates.

  10. A negative charge in transmembrane segment 1 of domain II of the cockroach sodium channel is critical for channel gating and action of pyrethroid insecticides

    International Nuclear Information System (INIS)

    Du Yuzhe; Song Weizhong; Groome, James R.; Nomura, Yoshiko; Luo Ningguang; Dong Ke

    2010-01-01

    Voltage-gated sodium channels are the primary target of pyrethroids, an important class of synthetic insecticides. Pyrethroids bind to a distinct receptor site on sodium channels and prolong the open state by inhibiting channel deactivation and inactivation. Recent studies have begun to reveal sodium channel residues important for pyrethroid binding. However, how pyrethroid binding leads to inhibition of sodium channel deactivation and inactivation remains elusive. In this study, we show that a negatively charged aspartic acid residue at position 802 (D802) located in the extracellular end of transmembrane segment 1 of domain II (IIS1) is critical for both the action of pyrethroids and the voltage dependence of channel activation. Charge-reversing or -neutralizing substitutions (K, G, or A) of D802 shifted the voltage dependence of activation in the depolarizing direction and reduced channel sensitivity to deltamethrin, a pyrethroid insecticide. The charge-reversing mutation D802K also accelerated open-state deactivation, which may have counteracted the inhibition of sodium channel deactivation by deltamethrin. In contrast, the D802G substitution slowed open-state deactivation, suggesting an additional mechanism for neutralizing the action of deltamethrin. Importantly, Schild analysis showed that D802 is not involved in pyrethroid binding. Thus, we have identified a sodium channel residue that is critical for regulating the action of pyrethroids on the sodium channel without affecting the receptor site of pyrethroids.

  11. Charge migration and charge transfer in molecular systems

    Directory of Open Access Journals (Sweden)

    Hans Jakob Wörner

    2017-11-01

    Full Text Available The transfer of charge at the molecular level plays a fundamental role in many areas of chemistry, physics, biology and materials science. Today, more than 60 years after the seminal work of R. A. Marcus, charge transfer is still a very active field of research. An important recent impetus comes from the ability to resolve ever faster temporal events, down to the attosecond time scale. Such a high temporal resolution now offers the possibility to unravel the most elementary quantum dynamics of both electrons and nuclei that participate in the complex process of charge transfer. This review covers recent research that addresses the following questions. Can we reconstruct the migration of charge across a molecule on the atomic length and electronic time scales? Can we use strong laser fields to control charge migration? Can we temporally resolve and understand intramolecular charge transfer in dissociative ionization of small molecules, in transition-metal complexes and in conjugated polymers? Can we tailor molecular systems towards specific charge-transfer processes? What are the time scales of the elementary steps of charge transfer in liquids and nanoparticles? Important new insights into each of these topics, obtained from state-of-the-art ultrafast spectroscopy and/or theoretical methods, are summarized in this review.

  12. Summary report of phase I residual holdup measurements for a mixed oxide fuel fabrication facility

    International Nuclear Information System (INIS)

    Woodsum, H.C.

    1978-03-01

    Metal surface-powder adherence tests showed that the average mean values for direct impingement was 60 to 80 g/ft 2 , whereas the average mean values of the colloidal samples were 0.2 to 2.5 g/ft 2 . Thus, it is advantageous to design powder processing equipment to reduce direct impingement wherever possible. Holdup of powder appears to be relatively independent of the surface material or finish, and it is reduced significantly by low-frequency vibration of the surface. Under colloidal conditions, ThO 2 produces more residual material than UO 2 and is preferentially deposited from a UO 2 --ThO 2 blend. Pure ThO 2 and high enrichment blends of ThO 2 in UO 2 are expected to produce a significant, persistent electrostatic charge, thus increasing residual holdup. Residual holdup in the clean scrap recovery system (CSRS) could be reduced by 25%. Comparison of CSRS holdup and powder adherence-metal surface data indicated that the areal density of residual material (40 g/ft 2 ) was considerably higher than for colloidal suspension ( 2 ). Steady-state residual holdup factor for sintered-metal filters was 13 g/ft 2 of filter surface area under optimum conditions. During the pellet grinding tests, residual material built up in the system at rate of about 100 g/h to an estimated limit of 1.4 kg, primarily within the particle collector shroud. During dry grinding, 97% of this residue was contained within the shroud, and during wet grinding only 50% was contained in the shroud owing to inertial effects of the rotating wheel and water coolant

  13. Total source charge and charge screening in Yang-Mills theories

    International Nuclear Information System (INIS)

    Campbell, W.B.; Norton, R.E.

    1991-01-01

    New gauge-invariant definitions for the total charge on a static Yang-Mills source are suggested which we argue are better suited for determining when true color screening has occurred. In particular, these new definitions imply that the Abelian Coulomb solution for a simple ''electric'' dipole source made up of two opposite point charges has zero total source charge and therefore no color screening. With the definition of total source charge previously suggested by other authors, such a source would have a total source charge of 2q and therefore a screening charge in the field of -2q, where q is the magnitude of the charge of either point charge. Our definitions for more general solutions are not unique because of the path dependence of the parallel transport of charges. Suggestions for removing this ambiguity are offered, but it is not known if a unique, physically meaningful definition of total source charge in fact exists

  14. Effects of pulse-to-pulse residual species on discharges in repetitively pulsed discharges through packed bed reactors

    Science.gov (United States)

    Kruszelnicki, Juliusz; Engeling, Kenneth W.; Foster, John E.; Kushner, Mark J.

    2016-09-01

    Atmospheric pressure dielectric barrier discharges (DBDs) sustained in packed bed reactors (PBRs) are being investigated for conversion of toxic and waste gases, and CO2 removal. These discharges are repetitively pulsed having varying flow rates and internal geometries, which results in species from the prior pulse still being in the discharge zone at the time the following discharge pulse occurs. A non-negligible residual plasma density remains, which effectively acts as preionization. This residual charge changes the discharge properties of subsequent pulses, and may impact important PBR properties such as chemical selectivity. Similarly, the residual neutral reactive species produced during earlier pulses will impact the reaction rates on subsequent pulses. We report on results of a computational investigation of a 2D PBR using the plasma hydrodynamics simulator nonPDPSIM. Results will be discussed for air flowing though an array of dielectric rods at atmospheric pressure. The effects of inter-pulse residual species on PBR discharges will be quantified. Means of controlling the presence of residual species in the reactor through gas flow rate, pulse repetition, pulse width and geometry will be described. Comparisons will be made to experiments. Work supported by US DOE Office of Fusion Energy Science and the National Science Foundation.

  15. Residue-specific annotation of disorder-to-order transition and cathepsin inhibition of a propeptide-like crammer from D. melanogaster.

    Directory of Open Access Journals (Sweden)

    Tien-Sheng Tseng

    Full Text Available Drosophila melanogaster crammer is a novel cathepsin inhibitor involved in long-term memory formation. A molten globule-to-ordered structure transition is required for cathepsin inhibition. This study reports the use of alanine scanning to probe the critical residues in the two hydrophobic cores and the salt bridges of crammer in the context of disorder-to-order transition and cathepsin inhibition. Alanine substitution of the aromatic residues W9, Y12, F16, Y20, Y32, and W53 within the hydrophobic cores, and charged residues E8, R28, R29, and E67 in the salt bridges considerably decrease the ability of crammer to inhibit Drosophila cathepsin B (CTSB. Far-UV circular dichroism (CD, intrinsic fluorescence, and nuclear magnetic resonance (NMR spectroscopies show that removing most of the aromatic and charged side-chains substantially reduces thermostability, alters pH-dependent helix formation, and disrupts the molten globule-to-ordered structure transition. Molecular modeling indicates that W53 in the hydrophobic Core 2 is essential for the interaction between crammer and the prosegment binding loop (PBL of CTSB; the salt bridge between R28 and E67 is critical for the appropriate alignment of the α-helix 4 toward the CTSB active cleft. The results of this study show detailed residue-specific dissection of folding transition and functional contributions of the hydrophobic cores and salt bridges in crammer, which have hitherto not been characterized for cathepsin inhibition by propeptide-like cysteine protease inhibitors. Because of the involvements of cathepsin inhibitors in neurodegenerative diseases, these structural insights can serve as a template for further development of therapeutic inhibitors against human cathepsins.

  16. Explicit symplectic algorithms based on generating functions for relativistic charged particle dynamics in time-dependent electromagnetic field

    Science.gov (United States)

    Zhang, Ruili; Wang, Yulei; He, Yang; Xiao, Jianyuan; Liu, Jian; Qin, Hong; Tang, Yifa

    2018-02-01

    Relativistic dynamics of a charged particle in time-dependent electromagnetic fields has theoretical significance and a wide range of applications. The numerical simulation of relativistic dynamics is often multi-scale and requires accurate long-term numerical simulations. Therefore, explicit symplectic algorithms are much more preferable than non-symplectic methods and implicit symplectic algorithms. In this paper, we employ the proper time and express the Hamiltonian as the sum of exactly solvable terms and product-separable terms in space-time coordinates. Then, we give the explicit symplectic algorithms based on the generating functions of orders 2 and 3 for relativistic dynamics of a charged particle. The methodology is not new, which has been applied to non-relativistic dynamics of charged particles, but the algorithm for relativistic dynamics has much significance in practical simulations, such as the secular simulation of runaway electrons in tokamaks.

  17. Workplace Charging. Charging Up University Campuses

    Energy Technology Data Exchange (ETDEWEB)

    Giles, Carrie [ICF International, Fairfax, VA (United States); Ryder, Carrie [ICF International, Fairfax, VA (United States); Lommele, Stephen [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-03-01

    This case study features the experiences of university partners in the U.S. Department of Energy's (DOE) Workplace Charging Challenge with the installation and management of plug-in electric vehicle (PEV) charging stations.

  18. Explicitly computing geodetic coordinates from Cartesian coordinates

    Science.gov (United States)

    Zeng, Huaien

    2013-04-01

    This paper presents a new form of quartic equation based on Lagrange's extremum law and a Groebner basis under the constraint that the geodetic height is the shortest distance between a given point and the reference ellipsoid. A very explicit and concise formulae of the quartic equation by Ferrari's line is found, which avoids the need of a good starting guess for iterative methods. A new explicit algorithm is then proposed to compute geodetic coordinates from Cartesian coordinates. The convergence region of the algorithm is investigated and the corresponding correct solution is given. Lastly, the algorithm is validated with numerical experiments.

  19. Evaluation of residue-residue contact predictions in CASP9

    KAUST Repository

    Monastyrskyy, Bohdan; Fidelis, Krzysztof; Tramontano, Anna; Kryshtafovych, Andriy

    2011-01-01

    This work presents the results of the assessment of the intramolecular residue-residue contact predictions submitted to CASP9. The methodology for the assessment does not differ from that used in previous CASPs, with two basic evaluation measures

  20. Importance of Accurate Charges in Binding Affinity Calculations: A Case of Neuraminidase Series

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kichul; Kyun, Nack Sung; Cho, Art E. [Korea Univ., Sejong (Korea, Republic of)

    2013-02-15

    It has been shown that calculating atomic charges using quantum mechanical level theory greatly improves the accuracy of docking. A protocol was developed and shown to be effective. That this protocol works is just a manifestation of the fact that electrostatic interactions are important in protein-ligand binding. In order to investigate how the same protocol helps in prediction of binding affinities, we took a series of known cocrystal structures of influenza neuraminidase inhibitors with the receptor and performed docking with Glide SP, Glide XP, and QPLD, the last being a workflow that incorporates QM/MM calculations to replace the fixed atomic charges of force fields with quantum mechanically recalculated ones at a given docking pose, and predicted the binding affinities of each cocrystal. The correlation with experimental binding affinities considerably improved with QPLD compared to Glide SP/XP yielding r{sup 2} = 0.83. The results suggest that for binding sites, such as that of neuraminidase, which are laden with hydrophilic residues, protocols such as QPLD which utilizes QM-based atomic charges can better predict the binding affinities.

  1. Reaction mechanism and nuclear correlations study by low energy pion double charge exchange

    International Nuclear Information System (INIS)

    Weinfeld, Z.

    1993-06-01

    In pion double-charge-exchange (DCX) reactions, a positive (negative) pion is incident on a nucleus and a negative (positive) pion emerges. These reactions are of fundamental interest since the process must involve at least two nucleons in order to conserve charge. Although two nucleon processes are present in many reactions they are usually masked by the dominant single nucleon processes. DCX is unique in that respect since it is a two nucleon process in lowest order and thus may be sensitive to two-nucleon correlations. Measurements of low energy pion double-charge-exchange reactions to the double-isobaric-analog-state (DIAS) and ground-state (GS) of the residual nucleus provide new means for studying nucleon-nucleon correlations in nuclei. At low energies (T π 7/2 shell at energies ranging from 25 to 65 MeV. Cross sections were measured on 42,44,48 Ca, 46,50 Ti and 54 Fe. The calcium isotopes make a good set of nuclei on which to study the effects of correlations in DCX reactions

  2. The influence of coordinated defects on inhomogeneous broadening in cubic lattices

    Energy Technology Data Exchange (ETDEWEB)

    Matheson, P. L., E-mail: phil.matheson@uvu.edu; Sullivan, Francis P.; Evenson, William E. [Utah Valley University, Department of Physics (United States)

    2016-12-15

    The joint probability distribution function (JPDF) of electric field gradient (EFG) tensor components in cubic materials is dominated by coordinated pairings of defects in shells near probe nuclei. The contributions from these inner shell combinations and their surrounding structures contain the essential physics that determine the PAC-relevant quantities derived from them. The JPDF can be used to predict the nature of inhomogeneous broadening (IHB) in perturbed angular correlation (PAC) experiments by modeling the G{sub 2} spectrum and finding expectation values for V{sub zz} and η. The ease with which this can be done depends upon the representation of the JPDF. Expanding on an earlier work by Czjzek et al. (Hyperfine Interact. 14, 189–194, 1983), Evenson et al. (Hyperfine Interact. 237, 119, 2016) provide a set of coordinates constructed from the EFG tensor invariants they named W{sub 1} and W{sub 2}. Using this parameterization, the JPDF in cubic structures was constructed using a point charge model in which a single trapped defect (TD) is the nearest neighbor to a probe nucleus. Individual defects on nearby lattice sites pair with the TD to provide a locus of points in the W{sub 1}−W{sub 2} plane around which an amorphous-like distribution of probability density grows. Interestingly, however, marginal, separable PDFs appear adequate to model IHB relevant cases. We present cases from simulations in cubic materials illustrating the importance of these near-shell coordinations.

  3. Coordination failure caused by sunspots

    DEFF Research Database (Denmark)

    Beugnot, Julie; Gürgüç, Zeynep; Øvlisen, Frederik Roose

    2012-01-01

    on the efficient equilibrium, we consider sunspots as a potential reason for coordination failure. We conduct an experiment with a three player 2x2x2 game in which coordination on the efficient equilibrium is easy and should normally occur. In the control session, we find almost perfect coordination on the payoff......-dominant equilibrium, but in the sunspot treatment, dis-coordination is frequent. Sunspots lead to significant inefficiency, and we conclude that sunspots can indeed cause coordination failure....

  4. Provision of Flexible Load Control by Multi-Flywheel-Energy-Storage System in Electrical Vehicle Charging Stations

    DEFF Research Database (Denmark)

    Sun, Bo; Dragicevic, Tomislav; Andrade, Fabio

    2015-01-01

    in order to support basic electrical operation. This paper proposes a local implementation of a hysteresis-based aggregation algorithm for coordinated control of multiple stations that can provide functions such as peak shaving, spinning reserves, frequency control, regulation and load following. Local......Electrical vehicle (EV) chargers are going to occupy a considerable portion of total energy consumption in the future smart grid. Fast charging stations (FCS), as the most demanding representatives of charging infrastructure, will be requested to provide some ancillary services to the power system...... stability. Finally, corresponding hardware in the loop results based on dSPACE1006 platform have been reported in order to verify the validity of proposed approach....

  5. Charge independence and charge symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Miller, G A [Washington Univ., Seattle, WA (United States). Dept. of Physics; van Oers, W T.H. [Manitoba Univ., Winnipeg, MB (Canada). Dept. of Physics; [TRIUMF, Vancouver, BC (Canada)

    1994-09-01

    Charge independence and charge symmetry are approximate symmetries of nature, violated by the perturbing effects of the mass difference between up and down quarks and by electromagnetic interactions. The observations of the symmetry breaking effects in nuclear and particle physics and the implications of those effects are reviewed. (author). 145 refs., 3 tabs., 11 figs.

  6. Charge independence and charge symmetry

    International Nuclear Information System (INIS)

    Miller, G.A.

    1994-09-01

    Charge independence and charge symmetry are approximate symmetries of nature, violated by the perturbing effects of the mass difference between up and down quarks and by electromagnetic interactions. The observations of the symmetry breaking effects in nuclear and particle physics and the implications of those effects are reviewed. (author). 145 refs., 3 tabs., 11 figs

  7. Method of improving heterogeneous oil reservoir polymer flooding effect by positively-charged gel profile control

    Science.gov (United States)

    Zhao, Ling; Xia, Huifen

    2018-01-01

    The project of polymer flooding has achieved great success in Daqing oilfield, and the main oil reservoir recovery can be improved by more than 15%. But, for some strong oil reservoir heterogeneity carrying out polymer flooding, polymer solution will be inefficient and invalid loop problem in the high permeability layer, then cause the larger polymer volume, and a significant reduction in the polymer flooding efficiency. Aiming at this problem, it is studied the method that improves heterogeneous oil reservoir polymer flooding effect by positively-charged gel profile control. The research results show that the polymer physical and chemical reaction of positively-charged gel with the residual polymer in high permeability layer can generate three-dimensional network of polymer, plugging high permeable layer, and increase injection pressure gradient, then improve the effect of polymer flooding development. Under the condition of the same dosage, positively-charged gel profile control can improve the polymer flooding recovery factor by 2.3∼3.8 percentage points. Under the condition of the same polymer flooding recovery factor increase value, after positively-charged gel profile control, it can reduce the polymer volume by 50 %. Applying mechanism of positively-charged gel profile control technology is feasible, cost savings, simple construction, and no environmental pollution, therefore has good application prospect.

  8. Rapid ion-pair liquid chromatographic method for the determination of fenbendazole marker residue in fermented dairy products.

    Science.gov (United States)

    Vousdouka, Venetia I; Papapanagiotou, Elias P; Angelidis, Apostolos S; Fletouris, Dimitrios J

    2017-04-15

    A simple, rapid and sensitive liquid chromatographic method that allows for the quantitative determination of fenbendazole residues in fermented dairy products is described. Samples were extracted with a mixture of acetonitrile-phosphoric acid and the extracts were defatted with hexane to be further partitioned into ethyl acetate. The organic layer was evaporated to dryness and the residue was reconstituted in mobile phase. Separation of fenbendazole and its sulphoxide, sulphone, and p-hydroxylated metabolites was carried out isocratically with a mobile phase containing both positively and negatively charged pairing ions. Overall recoveries ranged from 79.8 to 88.8%, while precision data, based on within and between days variations, suggested an overall relative standard deviation of 6.3-11.0%. The detection and quantification limits were lower than 9 and 21μg/kg, respectively. The method has been successfully applied to quantitate fenbendazole residues in Feta cheese and yoghurt made from spiked and incurred ovine milk. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. Fractional charges

    International Nuclear Information System (INIS)

    Saminadayar, L.

    2001-01-01

    20 years ago fractional charges were imagined to explain values of conductivity in some materials. Recent experiments have proved the existence of charges whose value is the third of the electron charge. This article presents the experimental facts that have led theorists to predict the existence of fractional charges from the motion of quasi-particles in a linear chain of poly-acetylene to the quantum Hall effect. According to the latest theories, fractional charges are neither bosons nor fermions but anyons, they are submitted to an exclusive principle that is less stringent than that for fermions. (A.C.)

  10. Electrostatic interactions play an essential role in the binding of oleic acid with α-lactalbumin in the HAMLET-like complex: a study using charge-specific chemical modifications.

    Science.gov (United States)

    Xie, Yongjing; Min, Soyoung; Harte, Níal P; Kirk, Hannah; O'Brien, John E; Voorheis, H Paul; Svanborg, Catharina; Hun Mok, K

    2013-01-01

    Human α-lactalbumin made lethal to tumor cells (HAMLET) and its analogs are partially unfolded protein-oleic acid (OA) complexes that exhibit selective tumoricidal activity normally absent in the native protein itself. To understand the nature of the interaction between protein and OA moieties, charge-specific chemical modifications of lysine side chains involving citraconylation, acetylation, and guanidination were employed and the biophysical and biological properties were probed. Upon converting the original positively-charged lysine residues to negatively-charged citraconyl or neutral acetyl groups, the binding of OA to protein was eliminated, as were any cytotoxic activities towards osteosarcoma cells. Retention of the positive charges by converting lysine residues to homoarginine groups (guanidination); however, yielded unchanged binding of OA to protein and identical tumoricidal activity to that displayed by the wild-type α-lactalbumin-oleic acid complex. With the addition of OA, the wild-type and guanidinated α-lactalbumin proteins underwent substantial conformational changes, such as partial unfolding, loss of tertiary structure, but retention of secondary structure. In contrast, no significant conformational changes were observed in the citraconylated and acetylated α-lactalbumins, most likely because of the absence of OA binding. These results suggest that electrostatic interactions between the positively-charged basic groups on α-lactalbumin and the negatively-charged carboxylate groups on OA molecules play an essential role in the binding of OA to α-lactalbumin and that these interactions appear to be as important as hydrophobic interactions. Copyright © 2012 Wiley Periodicals, Inc.

  11. Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell.

    Science.gov (United States)

    Bodo, Enrico

    2015-09-03

    By using ab initio molecular dynamics, we investigate the solvent shell structure of La(3+) and Lu(3+) ions immersed in two ionic liquids, ethylammonium nitrate (EAN) and its hydroxy derivative (2-ethanolammonium nitrate, HOEAN). We provide the first study of the coordination properties of these heavy metal ions in such a highly charged nonacqueous environment. We find, as expected, that the coordination in the liquid is mainly due to nitrate anions and that, due to the bidentate nature of the ligand, the complexation shell of the central ion has a nontrivial geometry and a coordination number in terms of nitrate molecules that apparently violates the decrease of ionic radii along the lanthanides series, since the smaller Lu(3+) ion seems to coordinate six nitrate molecules and the La(3+) ion only five. A closer inspection of the structural features obtained from our calculations shows, instead, that the first shell of oxygen atoms is more compact for Lu(3+) than for La(3+) and that the former coordinates 8 oxygen atoms while the latter 10 in accord with the typical lanthanide's trend along the series and that their first solvation shells have a slight irregular and complex geometrical pattern. When moving to the HOEAN solutions, we have found that the solvation of the central ion is possibly also due to the cation itself through the oxygen atom on the side chain. Also, in this liquid, the coordination numbers in terms of oxygen atoms in both solvents is 10 for La(3+) and 8 for Lu(3+).

  12. Electron-beam-charged dielectrics: Internal charge distribution

    Science.gov (United States)

    Beers, B. L.; Pine, V. W.

    1981-01-01

    Theoretical calculations of an electron transport model of the charging of dielectrics due to electron bombardment are compared to measurements of internal charge distributions. The emphasis is on the distribution of Teflon. The position of the charge centroid as a function of time is not monotonic. It first moves deeper into the material and then moves back near to the surface. In most time regimes of interest, the charge distribution is not unimodal, but instead has two peaks. The location of the centroid near saturation is a function of the incident current density. While the qualitative comparison of theory and experiment are reasonable, quantitative comparison shows discrepancies of as much as a factor of two.

  13. Isofocusing lens with cylindrical electrodes for charged particle beam with finite emittance

    International Nuclear Information System (INIS)

    Shpak, E.V.; Smirnova, A.A.

    1995-01-01

    An axially symmetric lens, consisting of three cylindrical electrodes and designed for shaping the beams of charged particles with final emittance, is studied. The potentials on the lens electrodes, which ensure the maintenance of the crossover formed by the lens, are calculated. The dependences of the ratios of potentials on the lens electrodes are analyzed for different values of R 0 /R 0 1 ratios, where R 0 and R 1 are maximum values of initial values of coordinates and the slopes in the crossover, respectively. 4 refs.; 3 figs

  14. Types of Forestry Charges from Natural Resource Economics Perspective

    Directory of Open Access Journals (Sweden)

    Sudarsono Soedomo

    2012-04-01

    Full Text Available Capturing economic rent from natural resources, particularly forests, frequently still creates disagreement between the government and businesses. The charges imposed by the government in the forms of reboisation fund (DR and forest resource provision (PSDH have been in place for very long time, accepted by all stakeholders, and supported by laws. Government policy regarding compensation for forest stand value (GRNT creates controvercies. This paper intends to clarify problem of forest charges by returning it to its fundamental theories, e.g. economic theory of natural resouces. Economic rent of forests that are controlled by the government is the right of all Indonesia people.  Henece, the government has responsibility for capturing the rent as much as possible in the most efficient way. If the stumpage is too low then it potentially promotes overcutting, whereas if it is too high then it makes forest business less attractive that potentially promotes illegal activities. In forestry, economic rent of forest has a special name, it is stumpage price. There are some difficulties in estimating a competitive stumpage price, wheter the one obtained through a direct competitive auction of standing timber or through calculation of residual price. Partly, the difficulties were generated by the government’s own policies that strongly distorted log prices. Log export ban and vertical integration are the two most influential policies in distorting log prices. Actually, the government is able to design and implement a single charge to capture PSDH, DR, and GRNT so that their administration becomes much simpler and more efficient.Keywords: stumpage price, soil expectation value, economic rent, production efficient, charge harmonization

  15. Numerical analysis of residual stresses reconstruction for axisymmetric glass components

    Science.gov (United States)

    Tao, Bo; Xu, Shuang; Yao, Honghui

    2018-01-01

    A non-destructive measurement method for 3D stress state in a glass cylinder using photoelasticity has been analyzed by simulation in this research. Based on simulated stresses in a glass cylinder, intensity of the cylinder in a circular polariscope can be calculated by Jones calculus. Therefore, the isoclinic angle and optical retardation can be obtained by six steps phase shifting technique. Through the isoclinic angle and optical retardation, the magnitude and distribution of residual stresses inside the glass cylinder in cylindrical coordinate system can be reconstructed. Comparing the reconstructed stresses with numerical simulated stresses, the results verify this non-destructive method can be used to reconstruct the 3D stresses. However, there are some mismatches in axial stress, radial stress and circumferential stress.

  16. Pyranopterin Coordination Controls Molybdenum Electrochemistry in Escherichia coli Nitrate Reductase.

    Science.gov (United States)

    Wu, Sheng-Yi; Rothery, Richard A; Weiner, Joel H

    2015-10-09

    We test the hypothesis that pyranopterin (PPT) coordination plays a critical role in defining molybdenum active site redox chemistry and reactivity in the mononuclear molybdoenzymes. The molybdenum atom of Escherichia coli nitrate reductase A (NarGHI) is coordinated by two PPT-dithiolene chelates that are defined as proximal and distal based on their proximity to a [4Fe-4S] cluster known as FS0. We examined variants of two sets of residues involved in PPT coordination: (i) those interacting directly or indirectly with the pyran oxygen of the bicyclic distal PPT (NarG-Ser(719), NarG-His(1163), and NarG-His(1184)); and (ii) those involved in bridging the two PPTs and stabilizing the oxidation state of the proximal PPT (NarG-His(1092) and NarG-His(1098)). A S719A variant has essentially no effect on the overall Mo(VI/IV) reduction potential, whereas the H1163A and H1184A variants elicit large effects (ΔEm values of -88 and -36 mV, respectively). Ala variants of His(1092) and His(1098) also elicit large ΔEm values of -143 and -101 mV, respectively. An Arg variant of His(1092) elicits a small ΔEm of +18 mV on the Mo(VI/IV) reduction potential. There is a linear correlation between the molybdenum Em value and both enzyme activity and the ability to support anaerobic respiratory growth on nitrate. These data support a non-innocent role for the PPT moieties in controlling active site metal redox chemistry and catalysis. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  17. Pyranopterin Coordination Controls Molybdenum Electrochemistry in Escherichia coli Nitrate Reductase*

    Science.gov (United States)

    Wu, Sheng-Yi; Rothery, Richard A.; Weiner, Joel H.

    2015-01-01

    We test the hypothesis that pyranopterin (PPT) coordination plays a critical role in defining molybdenum active site redox chemistry and reactivity in the mononuclear molybdoenzymes. The molybdenum atom of Escherichia coli nitrate reductase A (NarGHI) is coordinated by two PPT-dithiolene chelates that are defined as proximal and distal based on their proximity to a [4Fe-4S] cluster known as FS0. We examined variants of two sets of residues involved in PPT coordination: (i) those interacting directly or indirectly with the pyran oxygen of the bicyclic distal PPT (NarG-Ser719, NarG-His1163, and NarG-His1184); and (ii) those involved in bridging the two PPTs and stabilizing the oxidation state of the proximal PPT (NarG-His1092 and NarG-His1098). A S719A variant has essentially no effect on the overall Mo(VI/IV) reduction potential, whereas the H1163A and H1184A variants elicit large effects (ΔEm values of −88 and −36 mV, respectively). Ala variants of His1092 and His1098 also elicit large ΔEm values of −143 and −101 mV, respectively. An Arg variant of His1092 elicits a small ΔEm of +18 mV on the Mo(VI/IV) reduction potential. There is a linear correlation between the molybdenum Em value and both enzyme activity and the ability to support anaerobic respiratory growth on nitrate. These data support a non-innocent role for the PPT moieties in controlling active site metal redox chemistry and catalysis. PMID:26297003

  18. Effective removal of coordinated copper from wastewater using a new dithiocarbamate-type supramolecular heavy metal precipitant.

    Science.gov (United States)

    Fu, Fenglian; Zeng, Haiyan; Cai, Qinhong; Qiu, Rongliang; Yu, Jimmy; Xiong, Ya

    2007-11-01

    A new dithiocarbamate-type heavy metal precipitant, sodium 1,3,5-hexahydrotriazinedithiocarbamate (HTDC), was prepared and used to remove coordinated copper from wastewater. In the reported dithiocarbamate-type precipitants, HTDC possesses the highest percentage of the effective functional groups. It could effectively precipitate copper to less than 0.5mgl(-1) from both synthetic and actual industrial wastewater containing CuEDTA in the range of pH 3-9. UV-vis spectral investigation and elemental analysis suggested that the precipitate was a kind of coordination supramolecular compound, [Cu(3)(HTDC)(2)](n). The toxicity characteristic leaching procedure (TCLP) and semi-dynamic leaching test (SDLT) indicated that the supramolecular precipitate was non-hazardous and stable in weak acid and alkaline conditions. Tests of an anion exchange resin D231 provided a clue to simultaneously remove excess HTDC and residual CuEDTA in practical process of wastewater treatment.

  19. QCD analysis of light charged Higgs production through polarized top quark decay in two different frames

    Energy Technology Data Exchange (ETDEWEB)

    Nejad, S. Mohammad Moosavi [Faculty of Physics, Yazd University,P.O. Box 89195-741, Yazd (Iran, Islamic Republic of); School of Particles and Accelerators, Institute for Research in Fundamental Sciences (IPM),P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of); Abbaspour, S. [Faculty of Physics, Yazd University,P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

    2017-03-09

    Light and heavy charged Higgs bosons are predicted by many models with an extended Higgs sector such as the two-Higgs-doublet model (2HDM). Searches for the charged Higgs bosons have been done by the ATLAS and the CMS experiments at the Large Hadron Collider (LHC) in proton-proton collision. However, a definitive search of charged Higgs bosons still has to be carried out by the LHC experiments. The experimental observation of charged Higgs bosons would indicate physics beyond the Standard Model. In the present work we study the O(α{sub s}) correction to the energy spectrum of the inclusive bottom-flavored mesons (X{sub b}) in polarized top quark decays into a light charged Higgs boson (m{sub H{sup +}}coordinate systems. This study could be considered as a new channel to indirect search for the charged Higgs bosons. To present our phenomenological predictions, we restrict ourselves to the constraints on the m{sub H{sup +}}−tan β parameter space determined by the recent results of the CMS and the ATLAS collaborations.

  20. Measurement of Neutrino Induced, Charged Current, Charged Pion Production

    Energy Technology Data Exchange (ETDEWEB)

    Wilking, Michael Joseph [Univ. of Colorado, Boulder, CO (United States)

    2009-05-01

    Neutrinos are among the least understood particles in the standard model of particle physics. At neutrino energies in the 1 GeV range, neutrino properties are typically determined by observing the outgoing charged lepton produced in a charged current quasi-elastic interactions. The largest charged current background to these measurements comes from charged current pion production interactions, for which there is very little available data.

  1. Rigid Residue Scan Simulations Systematically Reveal Residue Entropic Roles in Protein Allostery.

    Directory of Open Access Journals (Sweden)

    Robert Kalescky

    2016-04-01

    Full Text Available Intra-protein information is transmitted over distances via allosteric processes. This ubiquitous protein process allows for protein function changes due to ligand binding events. Understanding protein allostery is essential to understanding protein functions. In this study, allostery in the second PDZ domain (PDZ2 in the human PTP1E protein is examined as model system to advance a recently developed rigid residue scan method combining with configurational entropy calculation and principal component analysis. The contributions from individual residues to whole-protein dynamics and allostery were systematically assessed via rigid body simulations of both unbound and ligand-bound states of the protein. The entropic contributions of individual residues to whole-protein dynamics were evaluated based on covariance-based correlation analysis of all simulations. The changes of overall protein entropy when individual residues being held rigid support that the rigidity/flexibility equilibrium in protein structure is governed by the La Châtelier's principle of chemical equilibrium. Key residues of PDZ2 allostery were identified with good agreement with NMR studies of the same protein bound to the same peptide. On the other hand, the change of entropic contribution from each residue upon perturbation revealed intrinsic differences among all the residues. The quasi-harmonic and principal component analyses of simulations without rigid residue perturbation showed a coherent allosteric mode from unbound and bound states, respectively. The projection of simulations with rigid residue perturbation onto coherent allosteric modes demonstrated the intrinsic shifting of ensemble distributions supporting the population-shift theory of protein allostery. Overall, the study presented here provides a robust and systematic approach to estimate the contribution of individual residue internal motion to overall protein dynamics and allostery.

  2. Effects of Discrete Charge Clustering in Simulations of Charged Interfaces.

    Science.gov (United States)

    Grime, John M A; Khan, Malek O

    2010-10-12

    A system of counterions between charged surfaces is investigated, with the surfaces represented by uniform charged planes and three different arrangements of discrete surface charges - an equispaced grid and two different clustered arrangements. The behaviors of a series of systems with identical net surface charge density are examined, with particular emphasis placed on the long ranged corrections via the method of "charged slabs" and the effects of the simulation cell size. Marked differences are observed in counterion distributions and the osmotic pressure dependent on the particular representation of the charged surfaces; the uniformly charged surfaces and equispaced grids of discrete charge behave in a broadly similar manner, but the clustered systems display a pronounced decrease in osmotic pressure as the simulation size is increased. The influence of the long ranged correction is shown to be minimal for all but the very smallest of system sizes.

  3. Vibrational spectroscopic investigation and normal coordinate analysis of the fibrate hypolipidemic agent 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid (Gemfibrozil)

    Science.gov (United States)

    Priya, M. Siva; Benitta, T. Asenath; James, C.

    2011-03-01

    Colorless crystals of 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-450 cm -1 and 4000-50 cm -1 respectively. Molecular structure is optimized with the help of B3LYP/6-31G (d) density functional theory method. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ ∗ antibonding orbitals and E (2) energies confirms the occurrence of intra-molecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of Normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule.

  4. Production, transport and charge capture measurements of highly charged recoil ions

    International Nuclear Information System (INIS)

    Trebus, U.E.

    1989-01-01

    An experiment is described to study highly charged recoil ions on-line to the heavy accelerator UNILAC at GSI. The highly charged recoil ions are produced by heavy-ion bombardment of a gas target. Subsequently the slow highly charged recoil ions are extracted from the ionization volume, and guided through a beam transport line to a Wien filter for charge state selection and to a collision region to study charge transfer processes. Several experiments were carried out to show the efficient charge state separation. Charge states up to q = 15 were observed. When using a retarding field analyzer cross sections for single electron capture were determined for different charge states of Xe q+ for q = 4 to 11 and He gas. The experiments demonstrated increasing charge transfer cross sections with increasing charge state q and indicated the effect of near resonant charge capture for q = 6. The flexible data acquisition system used, is described and other future experiments, such as for instance in flight ion-trapping are indicated in the appendix

  5. Production, transport and charge capture measurements of highly charged recoil ions

    International Nuclear Information System (INIS)

    Trebus, U.E.

    1989-05-01

    An experiment is described to study highly charged recoil ions on-line to the heavy ion accelerator UNILAC at GSI. The highly charged recoil ions are produced by heavy ion bombardment of a gas target. Subsequently the slow highly charged recoil ions are extracted from the ionization volume, and guided through a beam transport line to a Wien filter for charge state selection and to a collision region to study charge transfer processes. Several experiments were carried out to show the efficient charge state separation. Charge states up to q=15 were observed. When using a retarding field analyzer cross sections for single electron capture were determined for different charge states of Xe q+ for q=4 to 11 and He gas. The experiments demonstrated increasing charge transfer cross sections with increasing charge state q and indicated the effect of near resonant charge capture for q=6. The flexible data acquisition system used, is described and other future experiments, such as for instance in flight ion-trapping are indicated in the appendix. (orig.)

  6. Charge-transfer complexes between p-toluidine and iodine in solution: a kinetic study

    International Nuclear Information System (INIS)

    Beggiato, G.; Casalbore, G.; Marconi, G.; Baraldi, C.

    1985-01-01

    The kinetics of charge-transfer interaction between p-toluidine and iodine in methylene chloride was investigated in depth. The thermal process of formation of the 'inner' complex was found to proceed to an equilibrium. The photochemical process follows a different reaction coordinate, going through the formation of an exciplex between the excited 'outer' complex and the amine ground state. In both cases the same ionic complex (Am 2 I + I - 3 , where Am stands for p-toluidine) was detected as the final product. (Author)

  7. Long-Term Strength of a Thick-Walled Pipe Filled with an Aggressive Medium, with Account for Damageability of the Pipe Material and Residual Strength

    Science.gov (United States)

    Piriev, S. A.

    2018-01-01

    This paper describes the study of scattered fracture of a thick-walled pipe filled with an aggressive medium, which creates uniform pressure on the inner surface of the pipe. It is assumed that the aggressive medium affects only the value of instantaneous strength. Damageability is described by an integral operator of the hereditary type. The problem is solved with allowance for residual strength of the pipe material behind the fracture front. Numerical calculation is carried out, and relationships between the fracture front coordinate and time for various concentrations of the aggressive medium and residual strength behind the fracture front are constructed.

  8. Studies on space charge neutralization and emittance measurement of beam from microwave ion source

    Energy Technology Data Exchange (ETDEWEB)

    Misra, Anuraag; Goswami, A.; Sing Babu, P.; Srivastava, S.; Pandit, V. S., E-mail: pandit@vecc.gov.in, E-mail: vspandit12@gmail.com [Variable Energy Cyclotron Centre, 1-AF, Bidhannagar, Kolkata 700 064 (India)

    2015-11-15

    A 2.45 GHz microwave ion source together with a beam transport system has been developed at VECC to study the problems related with the injection of high current beam into a compact cyclotron. This paper presents the results of beam profile measurement of high current proton beam at different degrees of space charge neutralisation with the introduction of neon gas in the beam line using a fine leak valve. The beam profiles have been measured at different pressures in the beam line by capturing the residual gas fluorescence using a CCD camera. It has been found that with space charge compensation at the present current level (∼5 mA at 75 keV), it is possible to reduce the beam spot size by ∼34%. We have measured the variation of beam profile as a function of the current in the solenoid magnet under the neutralised condition and used these data to estimate the rms emittance of the beam. Simulations performed using equivalent Kapchinsky-Vladimirsky beam envelope equations with space charge neutralization factor are also presented to interpret the experimental results.

  9. Ultrafast Charge Photogeneration in MEH-PPV Charge-Transfer Complexes

    NARCIS (Netherlands)

    Bakulin, Artem A.; Paraschuk, Dmitry Yu; Pshenichnikov, Maxim S.; van Loosdrecht, Paul H. M.; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E; Schoenlein, RW

    2009-01-01

    Visible-pump - IR-probe spectroscopy is used to study the ultrafast charge dynamics in MEH-PPV based charge-transfer complexes and donor-acceptor blends. Transient anisotropy of the polymer polaron band provides invaluable insights into excitation localisation and charge-transfer pathways.

  10. A study of charge-pickup interactions by (158A GeV) Pb nuclei

    International Nuclear Information System (INIS)

    Sher, G.; Shahzad, M.I.

    2012-01-01

    Study of the relativistic heavy-ion collision is important to focus on probing phase transitions between hadrons and quark-gluon phases in the extreme conditions of temperature and density of nuclear matter formed in the collisions. These states of nuclear matter are expected to be created in relativistic nuclear collisions with large overlap of interacting nuclei, the Lorentz-boosted Coulomb potential Vc proportional to alpha gamma Z/b of a partner with charge Z is very strong, where b is impact parameter and is the fine structure constant. Either one or both nuclei may be disintegrated by the electromagnetic forces in ultra-peripheral collisions at b = R1 + R2, where R1 and R2 are the nuclear radii. This distinct feature of electromagnetic dissociation makes it possible to study the behavior of nuclear matter under electromagnetic fields. The nuclear charge-pickup ( delta Z = +1) by Pb projectiles at energy 158A GeV interacting with targets Bi, Pb, Cu and Al was investigated using CR39 nuclear track detectors. The target-detector stacks were exposed at CERN SPS beam facility. The projectile and fragments charge states have been identified using the etch-cone lengths for charge-pickup at Z = 83 of residual nuclei. Our measured charge-pickup cross sections (delta Z = +1) are shown. It was observed that for the heavy targets the increase in the cross section is anticipated by substantial contribution of electromagnetic dissociation process of production by virtual photons which is almost negligible at 10.6A GeV. In the light target region, our measured cross sections and charge-pickup cross sections reported at energy 10.6A GeV show dominant nuclear contribution and very small contribution of electromagnetic dissociation term. A strong dependence of charge-pickup cross sections on the target mass number was observed particularly in the heavy targets. (orig./A.B.)

  11. Luminescent lanthanide coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-12-13

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

  12. Sulfhydryl oxidation of mutants with cysteine in place of acidic residues in the lactose permease.

    Science.gov (United States)

    Voss, J; Sun, J; Venkatesan, P; Kaback, H R

    1998-06-02

    To examine further the role of charge-pair interactions in the structure and function of lactose permease, Asp237 (helix VII), Asp240 (helix VII), Glu126 (cytoplasmic loop IV/V), Glu269 (helix VIII), and Glu325 (helix X) were replaced individually with Cys in a functional mutant devoid of Cys residues. Each mutant was then oxidized with H2O2 in order to generate a sulfinic and/or sulfonic acid at these positions. Due to the isosteric relationship between aspartate and sulfinate, in particular, and the lower pKa of the sulfinic and sulfonic acid side chains, oxidized derivatives of Cys are useful probes for examining the role of carboxylates. Asp237-->Cys or Asp240-->Cys permease is inactive, as shown previously, but H2O2 oxidation restores activity to an extent similar to that observed when a negative charge is reintroduced by other means. Glu126-->Cys, Glu269-->Cys, or Glu325-->Cys permease is inactive, but oxidation does not restore active lactose transport. The data are consistent with previous observations indicating that Asp237 and Asp240 are not critical for active lactose transport, while Glu126, Glu269, and Glu325 are irreplaceable. Although Glu269-->Cys permease does not transport lactose, the oxidized mutant exhibits significant transport of beta,D-galactosylpyranosyl 1-thio-beta,D-galactopyranoside, a property observed with Glu269-->Asp permease. The observation supports the idea that an acidic residue at position 269 is important for substrate recognition. Finally, oxidized Glu325-->Cys permease catalyzes equilibrium exchange with an apparent pKa of about 6.5, more than a pH unit lower than that observed with Glu325-->Asp permease, thereby providing strong confirmatory evidence that a negative charge at position 325 determines the rate of translocation of the ternary complex between the permease, substrate, and H+.

  13. Residual gas analysis

    International Nuclear Information System (INIS)

    Berecz, I.

    1982-01-01

    Determination of the residual gas composition in vacuum systems by a special mass spectrometric method was presented. The quadrupole mass spectrometer (QMS) and its application in thin film technology was discussed. Results, partial pressure versus time curves as well as the line spectra of the residual gases in case of the vaporization of a Ti-Pd-Au alloy were demonstrated together with the possible construction schemes of QMS residual gas analysers. (Sz.J.)

  14. E2-EPF UCP Possesses E3 Ubiquitin Ligase Activity via Its Cysteine 118 Residue.

    Science.gov (United States)

    Lim, Jung Hwa; Shin, Hee Won; Chung, Kyung-Sook; Kim, Nam-Soon; Kim, Ju Hee; Jung, Hong-Ryul; Im, Dong-Soo; Jung, Cho-Rok

    Here, we show that E2-EPF ubiquitin carrier protein (UCP) elongated E3-independent polyubiquitin chains on the lysine residues of von Hippel-Lindau protein (pVHL) and its own lysine residues both in vitro and in vivo. The initiation of the ubiquitin reaction depended on not only Lys11 linkage but also the Lys6, Lys48 and Lys63 residues of ubiquitin, which were involved in polyubiquitin chain formation on UCP itself. UCP self-association occurred through the UBC domain, which also contributed to the interaction with pVHL. The polyubiquitin chains appeared on the N-terminus of UCP in vivo, which indicated that the N-terminus of UCP contains target lysines for polyubiquitination. The Lys76 residue of UCP was the most critical site for auto-ubiquitination, whereas the polyubiquitin chain formation on pVHL occurred on all three of its lysines (Lys159, Lys171 and Lys196). A UCP mutant in which Cys118 was changed to alanine (UCPC118A) did not form a polyubiquitin chain but did strongly accumulate mono- and di-ubiquitin via auto-ubiquitination. Polyubiquitin chain formation required the coordination of Cys95 and Cys118 between two interacting molecules. The mechanism of the polyubiquitin chain reaction of UCP may involve the transfer of ubiquitin from Cys95 to Cys118 by trans-thiolation, with polyubiquitin chains forming at Cys118 by reversible thioester bonding. The polyubiquitin chains are then moved to the lysine residues of the substrate by irreversible isopeptide bonding. During the elongation of the ubiquitin chain, an active Cys118 residue is required in both parts of UCP, namely, the catalytic enzyme and the substrate. In conclusion, UCP possesses not only E2 ubiquitin conjugating enzyme activity but also E3 ubiquitin ligase activity, and Cys118 is critical for polyubiquitin chain formation.

  15. E2-EPF UCP Possesses E3 Ubiquitin Ligase Activity via Its Cysteine 118 Residue.

    Directory of Open Access Journals (Sweden)

    Jung Hwa Lim

    Full Text Available Here, we show that E2-EPF ubiquitin carrier protein (UCP elongated E3-independent polyubiquitin chains on the lysine residues of von Hippel-Lindau protein (pVHL and its own lysine residues both in vitro and in vivo. The initiation of the ubiquitin reaction depended on not only Lys11 linkage but also the Lys6, Lys48 and Lys63 residues of ubiquitin, which were involved in polyubiquitin chain formation on UCP itself. UCP self-association occurred through the UBC domain, which also contributed to the interaction with pVHL. The polyubiquitin chains appeared on the N-terminus of UCP in vivo, which indicated that the N-terminus of UCP contains target lysines for polyubiquitination. The Lys76 residue of UCP was the most critical site for auto-ubiquitination, whereas the polyubiquitin chain formation on pVHL occurred on all three of its lysines (Lys159, Lys171 and Lys196. A UCP mutant in which Cys118 was changed to alanine (UCPC118A did not form a polyubiquitin chain but did strongly accumulate mono- and di-ubiquitin via auto-ubiquitination. Polyubiquitin chain formation required the coordination of Cys95 and Cys118 between two interacting molecules. The mechanism of the polyubiquitin chain reaction of UCP may involve the transfer of ubiquitin from Cys95 to Cys118 by trans-thiolation, with polyubiquitin chains forming at Cys118 by reversible thioester bonding. The polyubiquitin chains are then moved to the lysine residues of the substrate by irreversible isopeptide bonding. During the elongation of the ubiquitin chain, an active Cys118 residue is required in both parts of UCP, namely, the catalytic enzyme and the substrate. In conclusion, UCP possesses not only E2 ubiquitin conjugating enzyme activity but also E3 ubiquitin ligase activity, and Cys118 is critical for polyubiquitin chain formation.

  16. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    Overview From a technical perspective, CMS has been in “beam operation” state since 6th November. The detector is fully closed with all components operational and the magnetic field is normally at the nominal 3.8T. The UXC cavern is normally closed with the radiation veto set. Access to UXC is now only possible during downtimes of LHC. Such accesses must be carefully planned, documented and carried out in agreement with CMS Technical Coordination, Experimental Area Management, LHC programme coordination and the CCC. Material flow in and out of UXC is now strictly controlled. Access to USC remains possible at any time, although, for safety reasons, it is necessary to register with the shift crew in the control room before going down.It is obligatory for all material leaving UXC to pass through the underground buffer zone for RP scanning, database entry and appropriate labeling for traceability. Technical coordination (notably Stephane Bally and Christoph Schaefer), the shift crew and run ...

  17. Coordination of Conditional Poisson Samples

    Directory of Open Access Journals (Sweden)

    Grafström Anton

    2015-12-01

    Full Text Available Sample coordination seeks to maximize or to minimize the overlap of two or more samples. The former is known as positive coordination, and the latter as negative coordination. Positive coordination is mainly used for estimation purposes and to reduce data collection costs. Negative coordination is mainly performed to diminish the response burden of the sampled units. Poisson sampling design with permanent random numbers provides an optimum coordination degree of two or more samples. The size of a Poisson sample is, however, random. Conditional Poisson (CP sampling is a modification of the classical Poisson sampling that produces a fixed-size πps sample. We introduce two methods to coordinate Conditional Poisson samples over time or simultaneously. The first one uses permanent random numbers and the list-sequential implementation of CP sampling. The second method uses a CP sample in the first selection and provides an approximate one in the second selection because the prescribed inclusion probabilities are not respected exactly. The methods are evaluated using the size of the expected sample overlap, and are compared with their competitors using Monte Carlo simulation. The new methods provide a good coordination degree of two samples, close to the performance of Poisson sampling with permanent random numbers.

  18. Keep Meaning in Conversational Coordination

    Directory of Open Access Journals (Sweden)

    Elena Clare Cuffari

    2014-12-01

    Full Text Available Coordination is a widely employed term across recent quantitative and qualitative approaches to intersubjectivity, particularly approaches that give embodiment and enaction central explanatory roles. With a focus on linguistic and bodily coordination in conversational contexts, I review the operational meaning of coordination in recent empirical research and related theorizing of embodied intersubjectivity. This discussion articulates what must be involved in treating linguistic meaning as dynamic processes of coordination. The coordination approach presents languaging as a set of dynamic self-organizing processes and actions on multiple timescales and across multiple modalities that come about and work in certain domains (those jointly constructed in social, interactive, high-order sense-making. These processes go beyond meaning at the level that is available to first-person experience. I take one crucial consequence of this to be the ubiquitously moral nature of languaging with others. Languaging coordinates experience, among other levels of behavior and event. Ethical effort is called for by the automatic autonomy-influencing forces of languaging as coordination.

  19. Assessing the Availability of Wood Residues and Residue Markets in Virginia

    OpenAIRE

    Alderman, Delton R. Jr.

    1998-01-01

    A statewide mail survey of primary and secondary wood product manufacturers was undertaken to quantify the production and consumption of wood residues in Virginia. Two hundred and sixty-six wood product manufacturers responded to the study and they provided information on the production, consumption, markets, income or disposal costs, and disposal methods of wood residues. Hardwood and pine sawmills produce approximately 66 percent of Virginia's wood residues. Virginia's wood product man...

  20. Porphyrin coordination polymer nanospheres and nanorods

    Science.gov (United States)

    Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.

    2012-12-04

    A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

  1. 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)

  2. Charging machine

    International Nuclear Information System (INIS)

    Medlin, J.B.

    1976-01-01

    A charging machine for loading fuel slugs into the process tubes of a nuclear reactor includes a tubular housing connected to the process tube, a charging trough connected to the other end of the tubular housing, a device for loading the charging trough with a group of fuel slugs, means for equalizing the coolant pressure in the charging trough with the pressure in the process tubes, means for pushing the group of fuel slugs into the process tube and a latch and a seal engaging the last object in the group of fuel slugs to prevent the fuel slugs from being ejected from the process tube when the pusher is removed and to prevent pressure liquid from entering the charging machine. 3 claims, 11 drawing figures

  3. Mutational properties of amino acid residues: implications for evolvability of phosphorylatable residues

    DEFF Research Database (Denmark)

    Creixell, Pau; Schoof, Erwin M.; Tan, Chris Soon Heng

    2012-01-01

    in terms of their mutational activity. Moreover, we highlight the importance of the genetic code and physico-chemical properties of the amino acid residues as likely causes of these inequalities and uncover serine as a mutational hot spot. Finally, we explore the consequences that these different......; it is typically assumed that all amino acid residues are equally likely to mutate or to result from a mutation. Here, by reconstructing ancestral sequences and computing mutational probabilities for all the amino acid residues, we refute this assumption and show extensive inequalities between different residues...... mutational properties have on phosphorylation site evolution, showing that a higher degree of evolvability exists for phosphorylated threonine and, to a lesser extent, serine in comparison with tyrosine residues. As exemplified by the suppression of serine's mutational activity in phosphorylation sites, our...

  4. Charge-dependent conformations and dynamics of pamam dendrimers revealed by neutron scattering and molecular dynamics

    Science.gov (United States)

    Wu, Bin

    , at neutral condition, the exterior residues folding back into interior would necessarily lead to higher entropy and equivalently lower free energy and thereby is energetically favored. As one decreases the pH condition of PAMAM dendrimers, the constituent residues would carry positive charges. The resultant inter-residue Coulomb repulsion would naturally result in conformational evolution. We found from CVSANS analysis that when dendrimers are charged by different acids, this conformational evolution is not the same. For dendrimers charged by DCl, the mass is seen to relocate from molecular interior to periphery. Nevertheless, those acidified by D 2SO4 exhibit surprisingly minor structural change under variation of molecular charge. To explain the above observation, we performed MD simulations and calculated the excess free energy of Cl- and SO 42- counterions. The binding between sulfate ions and charged amines of PAMAM dendrimers are found to be much stronger than the case for chlorides. This more energetic binding would serve as better screening effect among charged residues. Consequently, electrostatic repulsion triggered outstretching tendency is effectively diminished. In order to make direct comparison between MD simulations and neutron scattering experiments, we proposed and implemented a rigorous method, which incorporates the contribution from those invasive water molecules, to calculate scattering functions of a single PAMAM dendrimer using equilibrium MD trajectories. The bridge between neutron scattering experiments and MD simulation is successfully established. Aside from structural comparisons between MD simulations and experiments, we utilized MD simulation to decipher the previously reported QENS experimental observation that the segmental dynamics of PAMAM dendrimer would enhance with increasing molecular charge. We pursued the mechanism from the perspective of hydrocarbon component of dendrimer and solvent (water) interaction as a form similar to

  5. Bimanual motor coordination controlled by cooperative interactions in intrinsic and extrinsic coordinates.

    Science.gov (United States)

    Sakurada, Takeshi; Ito, Koji; Gomi, Hiroaki

    2016-01-01

    Although strong motor coordination in intrinsic muscle coordinates has frequently been reported for bimanual movements, coordination in extrinsic visual coordinates is also crucial in various bimanual tasks. To explore the bimanual coordination mechanisms in terms of the frame of reference, here we characterized implicit bilateral interactions in visuomotor tasks. Visual perturbations (finger-cursor gain change) were applied while participants performed a rhythmic tracking task with both index fingers under an in-phase or anti-phase relationship in extrinsic coordinates. When they corrected the right finger's amplitude, the left finger's amplitude unintentionally also changed [motor interference (MI)], despite the instruction to keep its amplitude constant. Notably, we observed two specificities: one was large MI and low relative-phase variability (PV) under the intrinsic in-phase condition, and the other was large MI and high PV under the extrinsic in-phase condition. Additionally, using a multiple-interaction model, we successfully decomposed MI into intrinsic components caused by motor correction and extrinsic components caused by visual-cursor mismatch of the right finger's movements. This analysis revealed that the central nervous system facilitates MI by combining intrinsic and extrinsic components in the condition with in-phases in both intrinsic and extrinsic coordinates, and that under-additivity of the effects is explained by the brain's preference for the intrinsic interaction over extrinsic interaction. In contrast, the PV was significantly correlated with the intrinsic component, suggesting that the intrinsic interaction dominantly contributed to bimanual movement stabilization. The inconsistent features of MI and PV suggest that the central nervous system regulates multiple levels of bilateral interactions for various bimanual tasks. © 2015 The Authors. European Journal of Neuroscience published by Federation of European Neuroscience Societies and

  6. The electrically charged BTZ black hole with self (anti-self) dual Maxwell field

    International Nuclear Information System (INIS)

    Kamata, M.; Koikawa, T.

    1995-04-01

    The Einstein-Maxwell equations with a negative cosmological constant Λ in 2 + 1 spacetime dimensions discussed by Banados, Teitelboim and Zanelli are solved by assuming a self (anti-self) dual equation E r-circumflex = ± B -circumflex , which is imposed on the orthonormal basis components of the electric field E r-circumflex and the magnetic field B -circumflex . This solution describes an electrically charged extra black hole with mass M=8πGQ 2 e , angular momentum J = ±8πGQ 2 e / modul Λ 1/2 and electric charge Q e . Although the coordinate components of the electric field E r and the magnetic field B have singularities on the horizon at r (4πGQ 2 e / modul Λ) 1/2 , the spacetime has the same value of constant negative curvature R = 6Λ as that of Banados et al. (author). 5 refs

  7. Structural study on the gas adsorption phenomena in porous coordination polymers by synchrotron powder diffraction method

    International Nuclear Information System (INIS)

    Kubota, Yoshiki

    2017-01-01

    In situ synchrotron powder diffraction measurement of gas adsorption and crystal structure analysis for porous coordination polymers (PCPs) were performed. From the obtained accurate crystal structure in both atomic and charge density levels, not only the position and orientation of adsorbed gas molecules but also the interaction between the adsorbed gas molecule and host framework were found. The information enables us to understand the mechanism of gas adsorption phenomena and functions of PCPs. It will give us the guiding principles for the novel functional materials design. (author)

  8. [Civilian-military coordination].

    Science.gov (United States)

    de Montravel, G

    2002-01-01

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

  9. Tandem white organic light-emitting diodes adopting a C60:rubrene charge generation layer

    International Nuclear Information System (INIS)

    Bi Wen-Tao; Wu Xiao-Ming; Hua Yu-Lin; Sun Jin-E; Xiao Zhi-Hui; Wang Li; Yin Shou-Gen

    2014-01-01

    Organic bulk heterojunction fullerence (C 60 ) doped 5, 6, 11, 12-tetraphenylnaphthacene (rubrene) as the high quality charge generation layer (CGL) with high transparency and superior charge generating capability for tandem organic light emitting diodes (OLEDs) is developed. This CGL shows excellent optical transparency about 90%, which can reduce the optical interference effect formed in tandem OLEDs. There is a stable white light emission including 468 nm and 500 nm peaks from the blue emitting layer and 620 nm peak from the red emitting layer in tandem white OLEDs. A high efficiency of about 17.4 cd/A and CIE coordinates of (0.40, 0.35) at 100 cd/m 2 and (0.36, 0.34) at 1000 cd/m 2 have been demonstrated by employing the developed CGL, respectively. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  10. Design of the low energy beam transport line between CARIBU and the EBIS charge breeder

    Energy Technology Data Exchange (ETDEWEB)

    Perry, A., E-mail: aperry4@hawk.iit.edu [Argonne National Laboratory, Argonne, IL 60439, USA and Illinois Institute of Technology, Chicago, IL 60616 (United States); Ostroumov, P. N.; Barcikowski, A.; Dickerson, C.; Kondrashev, S. A.; Mustapha, B.; Savard, G. [Argonne National Laboratory, Argonne, IL 60439 (United States)

    2015-01-09

    An Electron Beam Ion Source Charge Breeder (EBIS-CB) has been developed to breed radioactive beams from the CAlifornium Rare Isotope Breeder Upgrade (CARIBU) facility at ATLAS. The EBIS-CB will replace the existing ECR charge breeder to increase the intensity and improve the purity of reaccelerated radioactive ion beams. The EBIS-CB is in the final stage of off-line commissioning. Currently, we are developing a low energy beam transport (LEBT) system to transfer CARIBU beams to the EBIS-CB. As was originally planned, an RFQ cooler-buncher will precede the EBIS-CB. Recently, it was decided to include a multi-reflection time-of-flight (MR-TOF) mass-spectrometer following the RFQ. MR-TOF is a relatively new technology used to purify beams with a mass-resolving power up to 3×10{sup 5} as was demonstrated in experiments at CERN/ISOLDE. Very high purity singly-charged radioactive ion beams will be injected into the EBIS for charge breeding and due to its inherent properties, the EBIS-CB will maintain the purity of the charge bred beams. Possible contamination of residual gas ions will be greatly suppressed by achieving ultra-high vacuum in the EBIS trap. This paper will present and discuss the design of the LEBT and the overall integration of the EBIS-CB into ATLAS.

  11. Regulations and decisions in environmental impact assessment of residues radioactivity content

    International Nuclear Information System (INIS)

    Santos, Adir Janete Godoy dos

    2005-01-01

    Surveillance of natural radionuclides in the environment did not have high priority over many years compared to that of man-made radioactivity. There is, however, an increasing interest in such measurements since enhanced exposure to natural radioactivity is receiving the same legal weight as any other radiation exposure. In this context the surveillance of technologically enhanced naturally occurring materials, called TENORM becomes important. In Brazil, the industries of processing and chemical compounds production were developed based on mining, milling, transformation and manufacture of ores from sedimentary origin, ignea or metamorphic, which must determine the radioactive composition of the generated solid wastes and residues. Many solids residues stored in the environment has been of environmental concern facing the industries and environmentalists in Brazil as it presents a potential threat to the surrounding environment and to individuals occupationally exposed. Radiation protection regulations have not been applied yet to these industries, as the Brazilian regulatory agency (Comissao Nacional de Energia Nuclear - CNEN) has only recently published a regulatory guide concerning mining and milling of naturally occurring radioactive materials, which may generate enhanced concentrations of radionuclides. With respect to external and internal exposure to natural radionuclides from the solid residues storage, the nuclides of 232 Th, 235 U and 238 U decay chains are relevant, due to the exposure of workers as well as of members of the public. Radionuclides released from a source can be present as ions, molecules, complexes, mononuclear or polynuclear species, colloids, pseudocolloids, particles or fragments varying in size (nominal molecular mass), structure, morphology, density, valence and charge properties. One of the main points in environmental impact assessment is to identify whether the chemical availability is under influence of these speciation

  12. Dose calculations algorithm for narrow heavy charged-particle beams

    Energy Technology Data Exchange (ETDEWEB)

    Barna, E A; Kappas, C [Department of Medical Physics, School of Medicine, University of Patras (Greece); Scarlat, F [National Institute for Laser and Plasma Physics, Bucharest (Romania)

    1999-12-31

    The dose distributional advantages of the heavy charged-particles can be fully exploited by using very efficient and accurate dose calculation algorithms, which can generate optimal three-dimensional scanning patterns. An inverse therapy planning algorithm for dynamically scanned, narrow heavy charged-particle beams is presented in this paper. The irradiation `start point` is defined at the distal end of the target volume, right-down, in a beam`s eye view. The peak-dose of the first elementary beam is set to be equal to the prescribed dose in the target volume, and is defined as the reference dose. The weighting factor of any Bragg-peak is determined by the residual dose at the point of irradiation, calculated as the difference between the reference dose and the cumulative dose delivered at that point of irradiation by all the previous Bragg-peaks. The final pattern consists of the weighted Bragg-peaks irradiation density. Dose distributions were computed using two different scanning steps equal to 0.5 mm, and 1 mm respectively. Very accurate and precise localized dose distributions, conform to the target volume, were obtained. (authors) 6 refs., 3 figs.

  13. Ouabain affinity determining residues lie close to the Na/K pump ion pathway.

    Science.gov (United States)

    Artigas, Pablo; Gadsby, David C

    2006-08-15

    The Na/K pump establishes essential ion concentration gradients across animal cell membranes. Cardiotonic steroids, such as ouabain, are specific inhibitors of the Na/K pump. We exploited the marine toxin, palytoxin, to probe both the ion translocation pathway through the Na/K pump and the site of its interaction with ouabain. Palytoxin uncouples the pump's gates, which normally open strictly alternately, thus allowing both gates to sometimes be open, so transforming the pump into an ion channel. Palytoxin therefore permits electrophysiological analysis of even a single Na/K pump. We used outside-out patch recording of Xenopus alpha1beta3 Na/K pumps, which were made ouabain-resistant by point mutation, after expressing them in Xenopus oocytes. Endogenous, ouabain-sensitive, Xenopus alpha1beta3 Na/K pumps were silenced by continuous exposure to ouabain. We found that side-chain charge of two residues at either end of the alpha subunit's first extracellular loop, known to make a major contribution to ouabain affinity, strongly influenced conductance of single palytoxin-bound pump-channels by an electrostatic mechanism. The effects were mimicked by modification of cysteines introduced at those two positions with variously charged methanethiosulfonate reagents. The consequences of these modifications demonstrate that both residues lie in a wide vestibule near the mouth of the pump's ion pathway. Bound ouabain protects the site with the strongest influence on conductance from methanethiosulfonate modification, while leaving the site with the weaker influence unprotected. The results suggest a method for mapping the footprint of bound cardiotonic steroid on the extracellular surface of the Na/K pump.

  14. Point charges optimally placed to represent the multipole expansion of charge distributions.

    Directory of Open Access Journals (Sweden)

    Ramu Anandakrishnan

    Full Text Available We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance 2x the extent of the charge distribution--the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom, is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å is half that of the point multipole expansion up to the octupole

  15. Mathematics motivated by physics: the electrostatic potential is the Coulomb integral transform of the electric charge density

    OpenAIRE

    Medina, L; Ley Koo, E

    2008-01-01

    This article illustrates a practical way to connect and coordinate the teaching and learning of physics and mathematics. The starting point is the electrostatic potential, which is obtained in any introductory course of electromagnetism from the Coulomb potential and the superposition principle for any charge distribution. The necessity to develop solutions to the Laplace and Poisson differential equations is also recognized, identifying the Coulomb potential as the generating function of har...

  16. Evaluation of residue-residue contact prediction in CASP10

    KAUST Repository

    Monastyrskyy, Bohdan

    2013-08-31

    We present the results of the assessment of the intramolecular residue-residue contact predictions from 26 prediction groups participating in the 10th round of the CASP experiment. The most recently developed direct coupling analysis methods did not take part in the experiment likely because they require a very deep sequence alignment not available for any of the 114 CASP10 targets. The performance of contact prediction methods was evaluated with the measures used in previous CASPs (i.e., prediction accuracy and the difference between the distribution of the predicted contacts and that of all pairs of residues in the target protein), as well as new measures, such as the Matthews correlation coefficient, the area under the precision-recall curve and the ranks of the first correctly and incorrectly predicted contact. We also evaluated the ability to detect interdomain contacts and tested whether the difficulty of predicting contacts depends upon the protein length and the depth of the family sequence alignment. The analyses were carried out on the target domains for which structural homologs did not exist or were difficult to identify. The evaluation was performed for all types of contacts (short, medium, and long-range), with emphasis placed on long-range contacts, i.e. those involving residues separated by at least 24 residues along the sequence. The assessment suggests that the best CASP10 contact prediction methods perform at approximately the same level, and comparably to those participating in CASP9.

  17. [Environment of tryptophan residues in proteins--a factor for stability to oxidative nitrosylation. I. Analysis of primary structure].

    Science.gov (United States)

    Beda, N V; Nedospasov, A A

    2001-01-01

    Micellar catalysis under aerobic conditions effectively accelerates oxidative nitrosylation because of solubilization of NO and O2 by protein membranes and hydrophobic nuclei. Nitrosylating intermediates NOx (NO2, N2O3, N2O4) form mainly in the hydrophobic phase, and therefore their solubility in aqueous phase is low and hydrolysis is rapid, local concentration of NOx in the hydrophobic phase being essentially higher than in aqueous. Tryptophan is a hydrophobic residue and can nitrosylate with the formation of isomer N-nitrosotryptophans (NOW). Without denitrosylation mechanism, the accumulation of NOW in proteins of NO-synthesizing organisms would be constant, and long-living proteins would contain essential amounts of NOW, which is however not the case. Using Protein Data Bank (more than 78,000 sequences) we investigated the distribution of tryptophan residues environment (22 residues on each side of polypeptide chain) in proteins with known primary structure. Charged and polar residues (D, H, K, N, Q, R, S) are more incident in the immediate surrounding of tryptophan (-6, -5, -2, -1, 1, 2, 4) and hydrophobic residues (A, F, I, L, V, Y) are more rare than in remote positions. Hence, an essential part of tryptophan residues is situated in hydrophilic environment, which decreases the nitrosylation velocity because of lower NOx concentration in aqueous phase and allows the denitrosylation reactions course via nitrosonium ion transfer on nucleophils of functional groups of protein and low-molecular compounds in aqueous phase.

  18. Coordinated Control for Flywheel Energy Storage Matrix Systems for Wind Farm Based on Charging/Discharging Ratio Consensus Algorithms

    DEFF Research Database (Denmark)

    Cao, Qian; Song, Y. D.; Guerrero, Josep M.

    2016-01-01

    This paper proposes a distributed algorithm for coordination of flywheel energy storage matrix system (FESMS) cooperated with wind farm. A simple and distributed ratio consensus algorithm is proposed to solve FESMS dispatch problem. The algorithm is based on average consensus for both undirected...... and unbalanced directed graphs. Average consensus is guaranteed in unbalanced digraphs by updating the weight matrix with both its row sums and column sums being 1. Simulation examples illustrate the effectiveness of the proposed control method....

  19. A new approach for applying residual dipolar couplings as restraints in structure elucidation

    International Nuclear Information System (INIS)

    Meiler, Jens; Blomberg, Niklas; Nilges, Michael; Griesinger, Christian

    2000-01-01

    Residual dipolar couplings are useful global structural restraints. The dipolar couplings define the orientation of a vector with respect to the alignment tensor. Although the size of the alignment tensor can be derived from the distribution of the experimental dipolar couplings, its orientation with respect to the coordinate system of the molecule is unknown at the beginning of structure determination. This causes convergence problems in the simulated annealing process. We therefore propose a protocol that translates dipolar couplings into intervector projection angles, which are independent of the orientation of the alignment tensor with respect to the molecule. These restraints can be used during the whole simulated annealing protocol

  20. Isotope aided studies of pesticide residues during food processing. Report of a final research co-ordination meeting held in Bangkok, Thailand, 31 January - 4 February 1994

    International Nuclear Information System (INIS)

    1995-08-01

    The use of agrochemicals in general and pesticides in particular has greatly aided crop production, protected man from diseases, decreased losses of stored grains and has generally improved man's welfare. One of the steps in ensuring safety of pesticides is adequate monitoring programmes for residue levels in food products and the agricultural environment. Oil-bearing plants often receive heavy pesticide treatment and known to accumulate high concentration of pesticide residues. Technical documents included in this volume report effect of refining or processing of various oil crops like soybean, olive oil, coconut, rapeseed, sunflower cottonseed corn, peanut oil on 14 C-compound pesticide residues. Refs, figs and tabs

  1. Isotope aided studies of pesticide residues during food processing. Report of a final research co-ordination meeting held in Bangkok, Thailand, 31 January - 4 February 1994

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-08-01

    The use of agrochemicals in general and pesticides in particular has greatly aided crop production, protected man from diseases, decreased losses of stored grains and has generally improved man`s welfare. One of the steps in ensuring safety of pesticides is adequate monitoring programmes for residue levels in food products and the agricultural environment. Oil-bearing plants often receive heavy pesticide treatment and known to accumulate high concentration of pesticide residues. Technical documents included in this volume report effect of refining or processing of various oil crops like soybean, olive oil, coconut, rapeseed, sunflower cottonseed corn, peanut oil on {sup 14}C-compound pesticide residues.

  2. 47 CFR 95.1113 - Frequency coordinator.

    Science.gov (United States)

    2010-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review and...

  3. Charge Pricing Optimization Model for Private Charging Piles in Beijing

    Directory of Open Access Journals (Sweden)

    Xingping Zhang

    2017-11-01

    Full Text Available This paper develops a charge pricing model for private charging piles (PCPs by considering the environmental and economic effects of private electric vehicle (PEV charging energy sources and the impact of PCP charging load on the total load. This model simulates users’ responses to different combinations of peak-valley prices based on the charging power of PCPs and user charging transfer rate. According to the regional power structure, it calculates the real-time coal consumption, carbon dioxide emissions reduction, and power generation costs of PEVs on the power generation side. The empirical results demonstrate that the proposed peak-valley time-of-use charging price can not only minimize the peak-valley difference of the total load but also improve the environmental effects of PEVs and the economic income of the power system. The sensitivity analysis shows that the load-shifting effect of PCPs will be more obvious when magnifying the number of PEVs by using the proposed charging price. The case study indicates that the proposed peak, average, and valley price in Beijing should be 1.8, 1, and 0.4 yuan/kWh, which can promote the large-scale adoption of PEVs.

  4. Proceedings of the 7. biennial residue-to-revenue residual wood conference 2007

    International Nuclear Information System (INIS)

    Raulin, J.

    2007-01-01

    This conference provided information on the highest and best use of residual wood, which is quickly becoming a valuable commodity. Issues concerning forest residues, sawmill wastes, agricultural residues and urban organic materials were discussed along with trends in Canadian surplus mill waste production. The evolving nature and technologies of the biomass business were highlighted with particular focus on how to generate energy and save money through the use of residual wood. Residual wood energy projects and developments in Canada, North America and Europe were outlined along with biomass development in relation to forest fires and insect disturbances. Cogeneration technologies using wood wastes for thermal heat, steam and electricity were also presented, along with transportation fuel technologies for the production of ethanol. It was noted that with the rising cost of energy, the forest industry is seeking energy solutions based on the use of residual wood. The range of economically practical residual wood solutions continues to grow as energy prices increase. The conference was attended by more than 200 delegates from the forest industry, suppliers and government representatives, to discuss policies and procedures currently in place. Industry investment is being stimulated by the potential for biofuels and biochemicals, as well as the co-operation between the forest and energy sectors. The conference featured 23 presentations, of which 12 have been catalogued separately for inclusion in this database. refs., tabs., figs

  5. 40 CFR 109.6 - Coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Coordination. 109.6 Section 109.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS CRITERIA FOR STATE, LOCAL AND REGIONAL OIL REMOVAL CONTINGENCY PLANS § 109.6 Coordination. For the purposes of coordination...

  6. Label-free aptamer-based sensor for specific detection of malathion residues by surface-enhanced Raman scattering

    Science.gov (United States)

    Nie, Yonghui; Teng, Yuanjie; Li, Pan; Liu, Wenhan; Shi, Qianwei; Zhang, Yuchao

    2018-02-01

    A novel label-free aptamer surface-enhanced Raman scattering (SERS) sensor for trace malathion residue detection was proposed. In this process, the binding of malathion molecule with aptamer is identified directly. The silver nanoparticles modified with positively charged spermine served as enhancing and capture reagents for the negatively charged aptamer. Then, the silver nanoparticles modified by aptamer were used to specifically capture the malathion. The SERS background spectra of spermine, aptamer, and malathion were recorded and distinguished with the spectrum of malathion-aptamer. To enhance the characteristic peak signal of malathion captured by the aptamer, the aggregate reagents (NaCl, KCl, MgCl2) were compared and selected. The selectivity of this method was verified in the mixed-pesticide standard solution, which included malathion, phosmet, chlorpyrifos-methyl, and fethion. Results show that malathion can be specifically identified when the mixed-pesticide interferences existed. The standard curve was established, presenting a good linear range of 5 × 10- 7 to 1 × 10- 5 mol·L- 1. The spiked experiments for tap water show good recoveries from 87.4% to 110.5% with a relative standard deviation of less than 4.22%. Therefore, the proposed label-free aptamer SERS sensor is convenient, specifically detects trace malathion residues, and can be applied for qualitative and quantitative analysis of other pesticides.

  7. A charged particle interacting with a stationary magnetic monopole: quantum mechanics based on the kinetic momentum operators

    International Nuclear Information System (INIS)

    Raković, Milun J

    2011-01-01

    The standard quantum mechanical description of the motion of a charged particle in the field of a stationary magnetic monopole is notorious for the presence of unnatural singularities in the Hamiltonian operator originating in the vector potential A(r) used to describe the magnetic field of the monopole. In this paper, an elementary quantum mechanical formulation of the problem which involves only the physically observable field B(r) is presented. This is achieved by treating as a fundamental observable of the charged particle its kinetic momentum instead of the linear momentum p. An irreducible representation of the fundamental commutation relations involving the operators r-hat. It is shown that the existence of an irreducible representation requires that Dirac’s charge quantization condition is satisfied. Also, it is demonstrated that, from the quantum mechanical perspective, the singularities (appearing when the vector potential is introduced) are in fact properties of coordinate representations of the fundamental commutation relations. (paper)

  8. Coordination Control Strategy for AC/DC Hybrid Microgrids in Stand-Alone Mode

    Directory of Open Access Journals (Sweden)

    Dwi Riana Aryani

    2016-06-01

    Full Text Available Interest in DC microgrids is rapidly increasing along with the improvement of DC power technology because of its advantages. To support the integration process of DC microgrids with the existing AC utility grids, the form of hybrid AC/DC microgrids is considered for higher power conversion efficiency, lower component cost and better power quality. In the system, AC and DC portions are connected through interlink bidirectional AC/DC converters (IC with a proper control system and power management. In the stand-alone operation mode of AC/DC hybrid microgrids, the control of power injection through the IC is crucial in order to maintain the system security. This paper mainly deals with a coordination control strategy of IC and a battery energy storage system (BESS converter under stand-alone operation. A coordinated control strategy for the IC, which considers the state of charge (SOC level of BESS and the load shedding scheme as the last resort, is proposed to obtain better power sharing between AC and DC subgrids. The scheme will be tested with a hybrid AC/DC microgrid, using the tool of the PSCAD/EMTDC software.

  9. Life cycle assessment for coordination development of nuclear power and electric vehicle

    International Nuclear Information System (INIS)

    Liu Hong; Wang Yingrong

    2010-01-01

    Energy, environment and climate change have become focus political topics. In this paper, the life cycle assessment for cooperation development of nuclear power and electric vehicle were analyzed from the view of energy efficiency and pollutant emissions. The assessment results show that the pathway of nuclear power coupled with electric vehicle is better than coal electric power coupled with electric vehicle and normal gasoline coupled with internal combustion engine powered vehicle in terms of the environmental and energy characteristics. To charge the electric vehicle, instead of water power station, can safeguard the stable operation of nuclear power station. The results could provide consulted for coordination development of nuclear power, electric vehicle and brain power electric net. (authors)

  10. Intrinsic space charge resonances and the space charge limit

    International Nuclear Information System (INIS)

    Parzen, G.

    1990-01-01

    A study has been done of the dependence of the space charge limit on the choice of ν-values using a simulation program. This study finds a strong dependence of the space charge limit on the location of the ν-values relative to the intrinsic space charge resonances, which are driven by the space charge forces due to the beam itself. Four accelerators were studied. For some of these accelerators the study suggest that the space charge limit can be increased by about a factor of 2 proper choice of the ν-values. The lower order 1/2 and 1/4 intrinsic resonances appear to be the important resonances. There is some evidence for effects due to the 1/6 and 1/8 intrinsic resonances, particularly for larger synchrotrons. 5 figs

  11. Positively charged residues at the five-fold symmetry axis of cell culture-adapted foot-and-mouth disease virus permit novel receptor interactions.

    Science.gov (United States)

    Berryman, Stephen; Clark, Stuart; Kakker, Naresh K; Silk, Rhiannon; Seago, Julian; Wadsworth, Jemma; Chamberlain, Kyle; Knowles, Nick J; Jackson, Terry

    2013-08-01

    Field isolates of foot-and-mouth disease virus (FMDV) have a restricted cell tropism which is limited by the need for certain RGD-dependent integrin receptors. In contrast, cell culture-adapted viruses use heparan sulfate (HS) or other unidentified molecules as receptors to initiate infection. Here, we report several novel findings resulting from cell culture adaptation of FMDV. In cell culture, a virus with the capsid of the A/Turkey/2/2006 field isolate gained the ability to infect CHO and HS-deficient CHO cells as a result of a single glutamine (Q)-to-lysine (K) substitution at VP1-110 (VP1-(Q)110(K)). Using site-directed mutagenesis, the introduction of lysine at this same site also resulted in an acquired ability to infect CHO cells by type O and Asia-1 FMDV. However, this ability appeared to require a second positively charged residue at VP1-109. CHO cells express two RGD-binding integrins (α5β1 and αvβ5) that, although not used by FMDV, have the potential to be used as receptors; however, viruses with the VP1-(Q)110(K) substitution did not use these integrins. In contrast, the VP1-(Q)110(K) substitution appeared to result in enhanced interactions with αvβ6, which allowed a virus with KGE in place of the normal RGD integrin-binding motif to use αvβ6 as a receptor. Thus, our results confirmed the existence of nonintegrin, non-HS receptors for FMDV on CHO cells and revealed a novel, non-RGD-dependent use of αvβ6 as a receptor. The introduction of lysine at VP1-110 may allow for cell culture adaptation of FMDV by design, which may prove useful for vaccine manufacture when cell culture adaptation proves intractable.

  12. Positively Charged Residues at the Five-Fold Symmetry Axis of Cell Culture-Adapted Foot-and-Mouth Disease Virus Permit Novel Receptor Interactions

    Science.gov (United States)

    Berryman, Stephen; Clark, Stuart; Kakker, Naresh K.; Silk, Rhiannon; Seago, Julian; Wadsworth, Jemma; Chamberlain, Kyle; Knowles, Nick J.

    2013-01-01

    Field isolates of foot-and-mouth disease virus (FMDV) have a restricted cell tropism which is limited by the need for certain RGD-dependent integrin receptors. In contrast, cell culture-adapted viruses use heparan sulfate (HS) or other unidentified molecules as receptors to initiate infection. Here, we report several novel findings resulting from cell culture adaptation of FMDV. In cell culture, a virus with the capsid of the A/Turkey/2/2006 field isolate gained the ability to infect CHO and HS-deficient CHO cells as a result of a single glutamine (Q)-to-lysine (K) substitution at VP1-110 (VP1-Q110K). Using site-directed mutagenesis, the introduction of lysine at this same site also resulted in an acquired ability to infect CHO cells by type O and Asia-1 FMDV. However, this ability appeared to require a second positively charged residue at VP1-109. CHO cells express two RGD-binding integrins (α5β1 and αvβ5) that, although not used by FMDV, have the potential to be used as receptors; however, viruses with the VP1-Q110K substitution did not use these integrins. In contrast, the VP1-Q110K substitution appeared to result in enhanced interactions with αvβ6, which allowed a virus with KGE in place of the normal RGD integrin-binding motif to use αvβ6 as a receptor. Thus, our results confirmed the existence of nonintegrin, non-HS receptors for FMDV on CHO cells and revealed a novel, non-RGD-dependent use of αvβ6 as a receptor. The introduction of lysine at VP1-110 may allow for cell culture adaptation of FMDV by design, which may prove useful for vaccine manufacture when cell culture adaptation proves intractable. PMID:23740982

  13. Possibility of extending space-time coordinates

    International Nuclear Information System (INIS)

    Wang Yongcheng.

    1993-11-01

    It has been shown that one coordinate system can describe a whole space-time region except some supersurfaces on which there are coordinate singularities. The conditions of extending a coordinate from real field to complex field are studied. It has been shown that many-valued coordinate transformations may help us to extend space-time regions and many-valued metric functions may make one coordinate region to describe more than one space-time regions. (author). 11 refs

  14. A framework of manufacturer-retailer coordination process

    DEFF Research Database (Denmark)

    Wong, Chee Yew; Johansen, John

    2008-01-01

    Purpose - Triggered by perceived inefficiency and inequality, buyers and suppliers coordinate with each other. The purpose of this paper is to develop a framework of coordination process based on theoretical review and verifications from three case studies. Design/methodology/approach - The appro......Purpose - Triggered by perceived inefficiency and inequality, buyers and suppliers coordinate with each other. The purpose of this paper is to develop a framework of coordination process based on theoretical review and verifications from three case studies. Design...... there was disagreement. Third, closer mode of coordination, which involved joint evaluation and derivation of coordination solutions, reduced the numbers of iterative coordination cycles. These empirical findings verified the presupposed framework of coordination process. Research limitations/implications - Three...... qualitative case studies may not be highly generalisable and multiple dyadic coordination processes may occur. However, the findings form a foundation for further understanding of the coordination process. Originality/value - The proposed framework of the coordination process further expands the theories...

  15. Solid residues

    International Nuclear Information System (INIS)

    Mulder, E.; Duin, P.J. van; Grootenboer, G.J.

    1995-01-01

    A summary is presented of the many investigations that have been done on solid residues of atmospheric fluid bed combustion (AFBC). These residues are bed ash, cyclone ash and bag filter ash. Physical and chemical properties are discussed and then the various uses of residues (in fillers, bricks, gravel, and for recovery of aluminium) are summarised. Toxicological properties of fly ash and stack ash are discussed as are risks of pneumoconiosis for workers handling fly ash, and contamination of water by ashes. On the basis of present information it is concluded that risks to public health from exposure to emissions of coal fly ash from AFBC appear small or negligible as are health risk to workers in the coal fly ash processing industry. 35 refs., 5 figs., 12 tabs

  16. Modification of equivalent charge method for the Roben three-dimensional problem in electrostatics

    International Nuclear Information System (INIS)

    Barsukov, A.B.; Surenskij, A.V.

    1989-01-01

    The approach of the Roben problem solution for the calculation of the potential of intermediate electrode of accelerating structure with HFQ focusing is considered. The solution is constructed on the basis of variational formulation of the equivalent charge method, where electrostatic problem is reduced to equations of root-mean-square residuals on the system conductors. The technique presented permits to solve efficiently the three-dimensional problems of electrostatics for rather complicated from geometrical viewpoint systems of electrodes. Processing time is comparable with methods of integral equations. 5 refs.; 2 figs

  17. 29 CFR 42.8 - Coordination plan.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Coordination plan. 42.8 Section 42.8 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.8 Coordination plan. (a) Based upon, among other things, the... coordination plan concerning farm labor-related responsibilities of the Department, including migrant housing...

  18. Ion association at discretely-charged dielectric interfaces: Giant charge inversion

    Science.gov (United States)

    Wang, Zhi-Yong; Wu, Jianzhong

    2017-07-01

    Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

  19. Coulombic charge ice

    Science.gov (United States)

    McClarty, P. A.; O'Brien, A.; Pollmann, F.

    2014-05-01

    We consider a classical model of charges ±q on a pyrochlore lattice in the presence of long-range Coulomb interactions. This model first appeared in the early literature on charge order in magnetite [P. W. Anderson, Phys. Rev. 102, 1008 (1956), 10.1103/PhysRev.102.1008]. In the limit where the interactions become short ranged, the model has a ground state with an extensive entropy and dipolar charge-charge correlations. When long-range interactions are introduced, the exact degeneracy is broken. We study the thermodynamics of the model and show the presence of a correlated charge liquid within a temperature window in which the physics is well described as a liquid of screened charged defects. The structure factor in this phase, which has smeared pinch points at the reciprocal lattice points, may be used to detect charge ice experimentally. In addition, the model exhibits fractionally charged excitations ±q/2 which are shown to interact via a 1/r potential. At lower temperatures, the model exhibits a transition to a long-range ordered phase. We are able to treat the Coulombic charge ice model and the dipolar spin ice model on an equal footing by mapping both to a constrained charge model on the diamond lattice. We find that states of the two ice models are related by a staggering field which is reflected in the energetics of these two models. From this perspective, we can understand the origin of the spin ice and charge ice ground states as coming from a dipolar model on a diamond lattice. We study the properties of charge ice in an external electric field, finding that the correlated liquid is robust to the presence of a field in contrast to the case of spin ice in a magnetic field. Finally, we comment on the transport properties of Coulombic charge ice in the correlated liquid phase.

  20. Vaidya spacetime in the diagonal coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Berezin, V. A., E-mail: berezin@inr.ac.ru; Dokuchaev, V. I., E-mail: dokuchaev@inr.ac.ru; Eroshenko, Yu. N., E-mail: eroshenko@inr.ac.ru [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation)

    2017-03-15

    We have analyzed the transformation from initial coordinates (v, r) of the Vaidya metric with light coordinate v to the most physical diagonal coordinates (t, r). An exact solution has been obtained for the corresponding metric tensor in the case of a linear dependence of the mass function of the Vaidya metric on light coordinate v. In the diagonal coordinates, a narrow region (with a width proportional to the mass growth rate of a black hole) has been detected near the visibility horizon of the Vaidya accreting black hole, in which the metric differs qualitatively from the Schwarzschild metric and cannot be represented as a small perturbation. It has been shown that, in this case, a single set of diagonal coordinates (t, r) is insufficient to cover the entire range of initial coordinates (v, r) outside the visibility horizon; at least three sets of diagonal coordinates are required, the domains of which are separated by singular surfaces on which the metric components have singularities (either g{sub 00} = 0 or g{sub 00} = ∞). The energy–momentum tensor diverges on these surfaces; however, the tidal forces turn out to be finite, which follows from an analysis of the deviation equations for geodesics. Therefore, these singular surfaces are exclusively coordinate singularities that can be referred to as false fire-walls because there are no physical singularities on them. We have also considered the transformation from the initial coordinates to other diagonal coordinates (η, y), in which the solution is obtained in explicit form, and there is no energy–momentum tensor divergence.

  1. Optimal Overcurrent Relay Coordination in Presence of Inverter-based Wind Farms and Electrical Energy Storage Devices

    DEFF Research Database (Denmark)

    Javadi, Mohammad Sadegh; Esmaeel Nezhad, Ali; Anvari-Moghaddam, Amjad

    2018-01-01

    This paper investigates the coordination problem of overcurrent relays (OCRs) in presence of wind power generation and electrical energy storage (EES) systems. As the injected short-circuit current of inverter-based devices connected to the electrical grid is a function of the power electronic...... mainly matter for the EES system operating in either charging or discharging modes, as well. This paper evaluates different operation strategies considering the variations of the load demand and the presence of large-scale wind farms as well as an EES system, while validating the suggested method...

  2. Effects of Macroion Geometry and Charge Discretization in Charge Reversal

    OpenAIRE

    Mukherjee, Arup K.

    2008-01-01

    The effects of discrete macroion surface charge distribution and valences of these surface charges and counterions on charge reversal have been studied for macroions of three different geometries and compared with those of continuous surface charge distributions. The geometry of the macroion has been observed to play an important role in overcharging in these cases. The interplay of valences of discrete microions and counterions have noticeable effects on overcharging efficiency. For some val...

  3. Modeling the Electric Potential and Surface Charge Density near Charged Thunderclouds

    Science.gov (United States)

    Neel, Matthew Stephen

    2018-01-01

    Thundercloud charge separation, or the process by which the bottom portion of a cloud gathers charge and the top portion of the cloud gathers the opposite charge, is still not thoroughly understood. Whatever the mechanism, though, a charge separation definitely exists and can lead to electrostatic discharge via cloud-to-cloud lightning and…

  4. Syntheses, structures, and photoluminescence of lanthanide coordination polymers based on 4-oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid

    Energy Technology Data Exchange (ETDEWEB)

    Qian, Jing; Li, Lei; Peng, Jing-Wei; Qiao, Wei-Wei; Sun, Mei-Mei [College of Chemistry, Tianjin Normal University, Tianjin (China); Gu, Wen [College of Chemistry, Nankai University, Tianjin (China)

    2018-03-15

    Investigating the coordination chemistry of H{sub 2}CDA (4-oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid) with rare earth salts Ln(NO{sub 3}){sub 3} under hydrothermal conditions, structure transformation phenomenon was observed. The ligand, H{sub 2}CDA charged to its position isomer, enol type structure, H{sub 3}CAM (4-hydroxypyridine-2,6-dicarboxylic acid). Six new lanthanide(III) coordination polymers with the formulas [Ln(CAM)(H{sub 2}O){sub 3}]{sub n} [Ln = La (1), Pr, (2)] and {[Ln(CAM)(H_2O)_3].H_2O}{sub n} [Ln = Nd, (3), Sm, (4), Eu, (5), Y, (6)] were synthesized and characterized. The X-ray structure analyses show two kinds of coordination structures. The complexes 1 and 2 and 3-6 are isostructural. Complexes 1 and 2 crystallize in the monoclinic C{sub 2}/c space group, whereas 3-6 crystallize in the monoclinic system with space group P2{sub 1}/n. In the two kinds of structures, H{sub 3}CAM displays two different coordination modes. The Sm{sup III} and Eu{sup III} complexes exhibit the corresponding characteristic luminescence in the visible region at an excitation of 376 nm. (copyright 2018 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. 'Memory' and sustention of microdischarges in a steady-state DBD: volume plasma or surface charge?

    International Nuclear Information System (INIS)

    Akishev, Yuri; Aponin, Gregory; Balakirev, Anton; Grushin, Mikhail; Karalnik, Vladimir; Petryakov, Alexander; Trushkin, Nikolay

    2011-01-01

    The results of a numerical study on the spatio-temporal behavior of transient microdischarges (MDs) in a steady-state dielectric barrier discharge (DBD) excited by a sinusoidal voltage are presented. MDs have a spatial 'memory'-every subsequent MD appears at exactly the same location occupied by the MD at the preceding half-period (HP). In the majority of cases each MD appears at its location only once during every HP. For such a case, the memory effect is not attributed to the residual surface charge deposited by the preceding MD but determined by the residual MD plasma column shunting the gap right up to the beginning of the next HP. In contrast to good memory in space, each individual MD has a large scatter with time in its appearance within every HP, i.e. there is no 'memory' concerning the phase of an applied voltage. This MD jittering within the period is attributed to the stochastic nature of partial surface breakdowns around the bases of the MD plasma column. Numerical calculations show that surface breakdown provides an MD current splash at every HP. Hence, in the steady-state DBD, the volume plasma is responsible for the existence of MD spatial 'memory' (i.e. where the MD appears), and the deposited surface charge is responsible for MD jittering in time (i.e. when the MD appears).

  6. Charge exchange cross-sections for multiply charged ions

    International Nuclear Information System (INIS)

    Midha, J.M.; Gupta, S.C.

    1990-01-01

    A new empirical relation for charge exchange cross-section has been proposed for different charge states of C, N and O colliding with neutral hydrogen. Results are compared with the experimental data. (Author)

  7. The 10B (7Li, 7Be)10Be charge-exchange reaction

    International Nuclear Information System (INIS)

    Etchegoyen, A.

    1987-01-01

    It is analysed the mechanisms: direct charge-exchange through the two-body residual force (Q opt ∼ 0.2 MeV, which is close to the reaction Q-value of - 1,42 MeV); and single-Nucleon Knock-on exchange (SNKE) due to the intereacting nucleons being undistinguishable. These mechanisms are analysed in detail for producing 10 B ( 7 Li, 7 Be) 10 Be reaction. The experience was carried out at the Tandar Laboratory using conventional electronics. The elastic scattering was simultaneously measured in order to obtain an optical model parameter set. (M.C.K.) [pt

  8. Charged particle detector

    International Nuclear Information System (INIS)

    Hagen, R.D.

    1975-01-01

    A device for detecting the emission of charged particles from a specimen is described. The specimen is placed within an accumulator means which statically accumulates any charged particles emitted from the specimen. The accumulator means is pivotally positioned between a first capacitor plate having a positive electrical charge and a second capacitor plate having a negative electrical charge. The accumulator means is attracted to one capacitor plate and repelled from the other capacitor plate by an amount proportional to the amount and intensity of charged particles emitted by the specimen. (auth)

  9. Space Charge Effects

    CERN Document Server

    Ferrario, M.; Palumbo, L.

    2014-12-19

    The space charge forces are those generated directly by the charge distribution, with the inclusion of the image charges and currents due to the interaction of the beam with a perfectly conducting smooth pipe. Space charge forces are responsible for several unwanted phenomena related to beam dynamics, such as energy loss, shift of the synchronous phase and frequency , shift of the betatron frequencies, and instabilities. We will discuss in this lecture the main feature of space charge effects in high-energy storage rings as well as in low-energy linacs and transport lines.

  10. Coordinated Control of Wind Turbine and Energy Storage System for Reducing Wind Power Fluctuation

    Energy Technology Data Exchange (ETDEWEB)

    Muljadi, Eduard [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Kim, Chunghun [Hanyang University; Chung, Chung Choo [Hanyang University

    2017-11-13

    This paper proposes a coordinated control of wind turbine and energy storage system (ESS). Because wind power (WP) is highly dependent on variable wind speed and could induce a severe stability problem to power system especially when the WP has high penetration level. To solve this problem, many power generation corporations or grid operators recently use the ESS. It has very quick response and good performance for reducing the impact of WP fluctuation but has high cost for its installation. Therefore, it is very important to design the control algorithm considering both ESS capacity and grid reliability. Thus, we propose the control algorithm to mitigate the WP fluctuation by using the coordinated control between wind turbine and ESS considering ESS state of charge (SoC) and the WP fluctuation. From deloaded control according to WP fluctuation and ESS SoC management, we can expect the ESS lifespan expansion and improved grid reliability. The effectiveness of the proposed method is validated in MATLAB/Simulink considering power system including both wind turbine generator and conventional generators which react to system frequency deviation.

  11. CVD diamond sensors for charged particle detection

    CERN Document Server

    Krammer, Manfred; Berdermann, E; Bergonzo, P; Bertuccio, G; Bogani, F; Borchi, E; Brambilla, A; Bruzzi, Mara; Colledani, C; Conway, J; D'Angelo, P; Dabrowski, W; Delpierre, P A; Dencuville, A; Dulinski, W; van Eijk, B; Fallou, A; Fizzotti, F; Foulon, F; Friedl, M; Gan, K K; Gheeraert, E; Hallewell, G D; Han, S; Hartjes, F G; Hrubec, Josef; Husson, D; Kagan, H; Kania, D R; Kaplon, J; Kass, R; Koeth, T W; Lo Giudice, A; Lü, R; MacLynne, L; Manfredotti, C; Meier, D; Mishina, M; Moroni, L; Oh, A; Pan, L S; Pernicka, Manfred; Peitz, A; Perera, L P; Pirollo, S; Procario, M; Riester, J L; Roe, S; Rousseau, L; Rudge, A; Russ, J; Sala, S; Sampietro, M; Schnetzer, S; Sciortino, S; Stelzer, H; Stone, R; Suter, B; Tapper, R J; Tesarek, R; Trischuk, W; Tromson, D; Vittone, E; Walsh, A M; Wedenig, R; Weilhammer, Peter; Wetstein, M; White, C; Zeuner, W; Zöller, M

    2001-01-01

    CVD diamond material was used to build position-sensitive detectors for single-charged particles to be employed in high-intensity physics experiments. To obtain position information, metal contacts shaped as strips or pixels are applied to the detector surface for one- or two- dimensional coordinate measurement. Strip detectors 2*4 cm/sup 2/ in size with a strip distance of 50 mu m were tested. Pixel detectors of various pixel sizes were bump bonded to electronics chips and investigated. A key issue for the use of these sensors in high intensity experiments is the radiation hardness. Several irradiation experiments were carried out with pions, protons and neutrons exceeding a fluence of 10/sup 15/ particles/cm/sup 2/. The paper presents an overview of the results obtained with strip and pixel detectors in high-energy test beams and summarises the irradiation studies. (8 refs).

  12. Breakup of spectator residues in relativistic nuclear collisions

    International Nuclear Information System (INIS)

    Warwick, A.I.; Wieman, H.H.; Gutbrod, H.H.

    1983-01-01

    Low energy nuclear fragments (12 4 He, and 20 Ne projectiles are measured to yield information on the breakup of the target nucleus. We discuss the shapes of the fragment energy spectra across this broad range of fragment mass and pick out the fission component by its binary breakup. Multiplicities of coincident fast charged particles are presented as a measure of the degree of violence of the initial stage of the collision. Angular distributions of light fragments (8< or =Z< or =11) give the average velocities imparted to the residue in central collisions, and these values are compared to the results of cascade calculations. Measurements of slow fragment multiplicities from central events reveal a many-fragment final state. In the light of this finding we develop a simple calculation of the Coulomb features of the observed spectra. The applicability of a statistical breakup model is discussed

  13. MOTOR REHABILITATION OF INVALIDS WITH INFRINGEMENT OF LOCOMOTOR FUNCTION DUE TO RESIDUAL PHENOMENA OF STROKE

    Directory of Open Access Journals (Sweden)

    G. M. Tsirkin

    2013-01-01

    Full Text Available This paper demonstrates the clinical efficacy of multiparametric biofeedback in patients aged 45 to 60 years with residual phenomena after stroke with 1 to 5 years prescription. Comparison was made according to the international scale. Patients in the control group and the main group were selected at random.It was shown that the use of multiparametric biofeedback allows to reduce spasticity, restore body image and improve hemodynamics, increase adaptive capacity of the body, improve coordination. At the sa me time, when compared with medical therapy of spasticity, this technology is an order higher cost-effective.

  14. Optimal Charging Schedule Planning and Economic Analysis for Electric Bus Charging Stations

    Directory of Open Access Journals (Sweden)

    Rong-Ceng Leou

    2017-04-01

    Full Text Available The battery capacity of electric buses (EB used for public transportation is greater than that of electric cars, and the charging power is also several times greater than that used in electric cars; this can result in high energy consumption and negatively impact power distribution networks. This paper proposes a framework to determine the optimal contracted power capacity and charging schedule of an EB charging station in such a way that energy costs can be reduced. A mathematical model of controlled charging, which includes the capacity and energy charges of the station, was developed to minimize costs. The constraints of the model include the charging characteristics of an EB and the operational guidelines of the bus company. A practical EB charging station was used to verify the proposed model. The financial viability of this EB charging station is also studied in this paper. The economic analysis model for this charging station considers investment and operational costs, and the operational revenue. Sensitivity analyses with respect to some key parameters are also performed in this paper. Based on actual operational routes and EB charging schemes, test results indicate that the EB charging station investment is feasible, and the planning model proposed can be used to determine optimal station power capacity and minimize energy costs.

  15. An arbitrary curvilinear-coordinate method for particle-in-cell modeling

    International Nuclear Information System (INIS)

    Fichtl, C A; Finn, J M; Cartwright, K L

    2012-01-01

    A new approach to kinetic simulation of plasmas in complex geometries, based on the particle-in-cell (PIC) simulation method, is explored. In the two-dimensional (2D) electrostatic version of our method, called the arbitrary curvilinear-coordinate PIC method, all essential PIC operations are carried out in 2D on a uniform grid on the unit square logical domain, and mapped to a nonuniform boundary-fitted grid on the physical domain. As the resulting logical grid equations of motion are not separable, we have developed an extension of the semi-implicit modified leapfrog integration technique to preserve the symplectic nature of the logical grid particle mover. A generalized, curvilinear-coordinate formulation of Poisson's equations to solve for the electrostatic fields on the uniform logical grid is also developed. By our formulation, we compute the plasma charge density on the logical grid based on the particles' positions on the logical domain. That is, the plasma particles are weighted to the uniform logical grid and the self-consistent mean electrostatic fields obtained from the solution of the logical grid Poisson equation are interpolated to the particle positions on the logical grid. This process eliminates the complexity associated with the weighting and interpolation processes on the nonuniform physical grid and allows us to run the PIC method on arbitrary boundary-fitted meshes. (paper)

  16. An Elastic Charging Service Fee-Based Load Guiding Strategy for Fast Charging Stations

    Directory of Open Access Journals (Sweden)

    Shu Su

    2017-05-01

    Full Text Available Compared with the traditional slow charging loads, random integration of large scale fast charging loads will exert more serious impacts on the security of power network operation. Besides, to maximize social benefits, effective scheduling strategies guiding fast charging behaviors should be formulated rather than simply increasing infrastructure construction investments on the power grid. This paper first analyzes the charging users’ various responses to an elastic charging service fee, and introduces the index of charging balance degree to a target region by considering the influence of fast charging loads on the power grid. Then, a multi-objective optimization model of the fast charging service fee is constructed, whose service fee can be further optimized by employing a fuzzy programming method. Therefore, both users’ satisfaction degree and the equilibrium of charging loads can be maintained simultaneously by reasonably guiding electric vehicles (EVs to different fast charging stations. The simulation results demonstrate the effectiveness of the proposed dynamic charging service pricing and the corresponding fast charging load guidance strategy.

  17. Identification of transmembrane domain 6 & 7 residues that contribute to the binding pocket of the urotensin II receptor.

    Science.gov (United States)

    Holleran, Brian J; Domazet, Ivana; Beaulieu, Marie-Eve; Yan, Li Ping; Guillemette, Gaétan; Lavigne, Pierre; Escher, Emanuel; Leduc, Richard

    2009-04-15

    Urotensin II (U-II), a cyclic undecapeptide, is the natural ligand of the urotensin II (UT) receptor, a G protein-coupled receptor. In the present study, we used the substituted-cysteine accessibility method to identify specific residues in transmembrane domains (TMDs) six and seven of the rat urotensin II receptor (rUT) that contribute to the formation of the binding pocket of the receptor. Each residue in the R256(6.32)-Q283(6.59) fragment of TMD6 and the A295(7.31)-T321(7.57) fragment of TMD7 was mutated, individually, to a cysteine. The resulting mutants were expressed in COS-7 cells, which were subsequently treated with the positively charged methanethiosulfonate-ethylammonium (MTSEA) or the negatively charged methanethiosulfonate-ethylsulfonate (MTSES) sulfhydryl-specific alkylating agents. MTSEA treatment resulted in a significant reduction in the binding of TMD6 mutants F268C(6.44) and W278C(6.54) and TMD7 mutants L298C(7.34), T302C(7.38), and T303C(7.39) to (125)I-U-II. MTSES treatment resulted in a significant reduction in the binding of two additional mutants, namely L282C(6.58) in TMD6 and Y300C(7.36) in TMD7. These results suggest that specific residues orient themselves within the water-accessible binding pocket of the rUT receptor. This approach, which allowed us to identify key determinants in TMD6 and TMD7 that contribute to the UT receptor binding pocket, enabled us to further refine our homology-based model of how U-II interacts with its cognate receptor.

  18. Handling of Solid Residues

    International Nuclear Information System (INIS)

    Medina Bermudez, Clara Ines

    1999-01-01

    The topic of solid residues is specifically of great interest and concern for the authorities, institutions and community that identify in them a true threat against the human health and the atmosphere in the related with the aesthetic deterioration of the urban centers and of the natural landscape; in the proliferation of vectorial transmitters of illnesses and the effect on the biodiversity. Inside the wide spectrum of topics that they keep relationship with the environmental protection, the inadequate handling of solid residues and residues dangerous squatter an important line in the definition of political and practical environmentally sustainable. The industrial development and the population's growth have originated a continuous increase in the production of solid residues; of equal it forms, their composition day after day is more heterogeneous. The base for the good handling includes the appropriate intervention of the different stages of an integral administration of residues, which include the separation in the source, the gathering, the handling, the use, treatment, final disposition and the institutional organization of the administration. The topic of the dangerous residues generates more expectation. These residues understand from those of pathogen type that are generated in the establishments of health that of hospital attention, until those of combustible, inflammable type, explosive, radio-active, volatile, corrosive, reagent or toxic, associated to numerous industrial processes, common in our countries in development

  19. Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

    International Nuclear Information System (INIS)

    Veenendaal, Michel van

    2016-01-01

    The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than a picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. Finally, for small long-range interactions, recovery can be slow due to domain formation.

  20. Stochastic optimal charging of electric-drive vehicles with renewable energy

    International Nuclear Information System (INIS)

    Pantoš, Miloš

    2011-01-01

    The paper presents the stochastic optimization algorithm that may eventually be used by electric energy suppliers to coordinate charging of electric-drive vehicles (EDVs) in order to maximize the use of renewable energy in transportation. Due to the stochastic nature of transportation patterns, the Monte Carlo simulation is applied to model uncertainties presented by numerous scenarios. To reduce the problem complexity, the simulated driving patterns are not individually considered in the optimization but clustered into fleets using the GAMS/SCENRED tool. Uncertainties of production of renewable energy sources (RESs) are presented by statistical central moments that are further considered in Hong’s 2-point + 1 estimation method in order to define estimate points considered in the optimization. Case studies illustrate the application of the proposed optimization in achieving maximal exploitation of RESs in transportation by EDVs. -- Highlights: ► Optimization model for EDV charging applying linear programming. ► Formation of EDV fleets based on the driving patterns assessment applying the GAMS/SCENRED. ► Consideration of uncertainties of RES production and energy prices in the market. ► Stochastic optimization. ► Application of Hong’s 2-point + 1 estimation method.

  1. Coordinate-invariant regularization

    International Nuclear Information System (INIS)

    Halpern, M.B.

    1987-01-01

    A general phase-space framework for coordinate-invariant regularization is given. The development is geometric, with all regularization contained in regularized DeWitt Superstructures on field deformations. Parallel development of invariant coordinate-space regularization is obtained by regularized functional integration of the momenta. As representative examples of the general formulation, the regularized general non-linear sigma model and regularized quantum gravity are discussed. copyright 1987 Academic Press, Inc

  2. The coordinate transforming in geography information system

    International Nuclear Information System (INIS)

    Zhao Xiang; Chen Gang

    2003-01-01

    The coordinate transforming of geography information system includes two kinds of transforming, map projection and coordinate-transforming. This paper proposed a arithmetic of coordinate-transforming, it implement the transforming between the longitude-latitude coordinate and the screen coordinate and apply it in the GIS. The preferable effect was made. (authors)

  3. Long-lived, charge-shift states in heterometallic, porphyrin-based dendrimers formed via click chemistry.

    Science.gov (United States)

    Le Pleux, Loïc; Pellegrin, Yann; Blart, Errol; Odobel, Fabrice; Harriman, Anthony

    2011-05-26

    A series of multiporphyrin clusters has been synthesized and characterized in which there exists a logical gradient for either energy or electron transfer between the porphyrins. A central free-base porphyrin (FbP), for example, is equipped with peripheral zinc(II) porphyrins (ZnP) which act as ancillary light harvesters and transfer excitation energy to the FbP under visible light illumination. Additional energy-transfer steps occur at the triplet level, and the series is expanded by including magnesium(II) porphyrins and/or tin(IV) porphyrins as chromophores. Light-induced electron transfer is made possible by incorporating a gold(III) porphyrin (AuP(+)) into the array. Although interesting by themselves, these clusters serve as control compounds by which to understand the photophysical processes occurring within a three-stage dendrimer comprising an AuP(+) core, a second layer formed from four FbP units, and an outer layer containing 12 ZnP residues. Here, illumination into a peripheral ZnP leads to highly efficient electronic energy transfer to FbP, followed by charge transfer to the central AuP(+). Charge recombination within the resultant charge-shift state is intercepted by secondary hole transfer to the ZnP, which occurs with a quantum yield of around 20%. The final charge-shift state survives for some microseconds in fluid solution at room temperature.

  4. Extended Lipkin-type models with residual proton-neutron interaction

    International Nuclear Information System (INIS)

    Stoica, S.

    1999-01-01

    Extended Lipkin-Meshkov-Glick (LMG) models for testing the Random Phase Approximation (RPA) and proton-neutron Random Phase Approximation (pnRPA) methods are developed taking into account explicitly the proton and neutron degrees of freedom. First, an extended LMG model for testing RPA is developed. The proton and neutron Hamiltonians are taken to be of the LMG form and, in addition, a residual proton-neutron interaction is included. Exact solutions in a SU(2) x SU(2) basis as well as the RPA solutions for the energy spectrum of the model Hamiltonian are obtained. Then, the behaviour of the first collective excited state is studied as a function of the interaction parameters of the model using the exact and RPA methods. Secondly, an extended LMG model for testing pnRPA method is developed. Besides the proton and neutron single particle terms two types of residual proton-neutron interactions, one simulating a particle-particle and the other a particle-hole interaction, are included in the model Hamiltonian, so that the model is exactly solvable in an isospin SU(2) x SU(2) basis. The exact and pnRPA spectra of the model Hamiltonian are calculated as a function of the model parameters and compared to each other. Furthermore, charge-changing operators simulating a nuclear beta decay and their action on eigenfunctions of the model Hamiltonian are defined, and transition amplitude of them are calculated using exact and pnRPA wave functions. The best agreement between the exact RPA-type calculations for spectra and transitions, was obtained when the correlated RPA ground state, instead of the uncorrelated HF ground state was employed and when both kinds of residual interactions (i.e. like- and unlike-particle two-body interactions) are included in the model Hamiltonians. (author)

  5. Mechanical behavior of NiTi arc wires under pseudoelastic cycling and cathodically hydrogen charging

    Science.gov (United States)

    Sarraj, R.; Hassine, T.; Gamaoun, F.

    2018-01-01

    NiTi wires are mainly used to design orthodontic devices. However, they may be susceptible to a delayed fracture while they are submitted to cyclic loading with the presence of hydrogen in the oral cavity. Hydrogen may cause the embrittlement of the structure, leading to lower ductility and to a change in transformation behavior. The aim of the present study is to predict the NiTi behavior under cyclic loading with hydrogen charging. One the one hand, samples are submitted to superelastic cyclic loading, which results in investigating their performance degradations. On the other hand, after hydrogen charging, cyclic tensile aging tests are carried out on NiTi orthodontic wires at room temperature in the air. During cyclic loading, we notice that the critical stress for the martensite transformation evolves, the residual strain is accumulated in the structure and the hysteresis loop changes. Thus, via this work, we can assume that the embrittlement is due to the diffusion of hydrogen and the generation of dislocations after aging. The evolution of mechanical properties of specimens becomes more significant with hydrogen charging rather than without it.

  6. Trap-controlled charge transport in corona-charged Teflon

    International Nuclear Information System (INIS)

    Gross, B.; Giacometti, J.A.; Ferreira, G.F.L.; Moreno A, R.A.

    1980-01-01

    The stability of negatively charged Teflon electrets is discussed. It is stated that it can only be explained by the assumption that the transport of excess charge is trap - controlled rather than mobility - controlled. (I.C.R.) [pt

  7. On coordinates and coordinate transformation in Einstein's theory of gravitation

    International Nuclear Information System (INIS)

    Chou Peiyuan

    1983-01-01

    This investigation is a further exposition of the significance of coordinates and their transformation in Einstein's theory of gravitation. The author considers the static axisymmetric field as an example, starts with its metric in the cylindrical coordinates, transforms this metric and the field equations into the Weyl-Levi-Civita system of coordinates, and supplements them with the harmonic condition. Both of the field equations and the harmonic condition are then transformed back to the original Cartesian system. Solutions for the static fields of an infinite plane with uniform surface density and an infinite rod with uniform linear density of matter, and of a body with spherical symmetry, are obtained again to show the necessity of the harmonic condition in their solutions. The fact that under the harmonic condition the solutions of the field equations for these problems contain their corresponding Newtonian potentials as approximations, is a strong support to the argument that the harmonic condition should be a physical supplement to Einstein's theory of gravitation. (Auth.)

  8. Charged Massive Particle’s Tunneling from Charged Nonrotating Microblack Hole

    Directory of Open Access Journals (Sweden)

    M. J. Soleimani

    2016-01-01

    Full Text Available In the tunneling framework of Hawking radiation, charged massive particle’s tunneling in charged nonrotating TeV-scale black hole is investigated. To this end, we consider natural cutoffs as a minimal length, a minimal momentum, and a maximal momentum through a generalized uncertainty principle. We focus on the role played by these natural cutoffs on the luminosity of charged nonrotating microblack hole by taking into account the full implications of energy and charge conservation as well as the backscattered radiation.

  9. Inner-Sphere versus Outer-Sphere Coordination of BF4– in a NHC-Gold(I) Complex

    KAUST Repository

    Veenboer, Richard M. P.

    2017-07-20

    The role of counterions in chemistry mediated by gold complexes stretches much further than merely providing charge balance to cationic gold species. Interplay between their basicities and coordination strengths influences interactions with both the gold center and substrates in catalysis. Actual monogold(I) active species are generally believed to be monocoordinated species, formed from the abstraction or the decoordination of a second ligand from precursor complexes, but only a small amount of experimental evidence exists to underpin the existence of these transient species. The formation of a bench-stable neutral IPrCl-gold(I) tetrafluoroborate complex is reported herein. Experimental studies by X-ray diffraction analysis and NMR spectroscopy and theoretical studies by DFT calculations were conducted to determine the composition, structure, and behavior of this complex. The absence of an auxiliary ligand resulted in inner-sphere coordination of the counterion in the solid state. In solution, an equilibrium between two conformations was found with the counterion occupying inner-sphere and outer-sphere positions, respectively. Stoichiometric and catalytic reactivity studies with the tetrafluoroborate complex have been conducted. These confirmed the lability of the inner-sphere coordinating counterion that gives the IPrCl-gold(I) fragment behavior similar to that of related systems.

  10. Inner-Sphere versus Outer-Sphere Coordination of BF4– in a NHC-Gold(I) Complex

    KAUST Repository

    Veenboer, Richard M. P.; Collado, Alba; Dupuy, Sté phanie; Lebl, Tomas; Falivene, Laura; Cavallo, Luigi; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.; Nolan, Steven P.

    2017-01-01

    The role of counterions in chemistry mediated by gold complexes stretches much further than merely providing charge balance to cationic gold species. Interplay between their basicities and coordination strengths influences interactions with both the gold center and substrates in catalysis. Actual monogold(I) active species are generally believed to be monocoordinated species, formed from the abstraction or the decoordination of a second ligand from precursor complexes, but only a small amount of experimental evidence exists to underpin the existence of these transient species. The formation of a bench-stable neutral IPrCl-gold(I) tetrafluoroborate complex is reported herein. Experimental studies by X-ray diffraction analysis and NMR spectroscopy and theoretical studies by DFT calculations were conducted to determine the composition, structure, and behavior of this complex. The absence of an auxiliary ligand resulted in inner-sphere coordination of the counterion in the solid state. In solution, an equilibrium between two conformations was found with the counterion occupying inner-sphere and outer-sphere positions, respectively. Stoichiometric and catalytic reactivity studies with the tetrafluoroborate complex have been conducted. These confirmed the lability of the inner-sphere coordinating counterion that gives the IPrCl-gold(I) fragment behavior similar to that of related systems.

  11. Unpacking Coordination Benefits in Supply Networks

    DEFF Research Database (Denmark)

    Petrick, Irene J.; Maitland, Carleen; Pogrebnyakov, Nicolai

    2016-01-01

    This paper examines how coordination among firms in supply networks generates benefits in the short and long terms for firms. It focuses on information technology (IT) and process improvement coordination. Analysis was performed on quantitative and qualitative data from a sample of SMEs in plastics...... manufacturing in Pennsylvania. Results indicate that coordination on both IT and process improvement leads to short- and long-term benefits. These relationships were mediated by the adoption of innovations (when coordinating on IT) and access to new capabilities (in process improvement coordination......). These results extend the understanding of how participation in supply networks benefits individual firms....

  12. MOSFET Electric-Charge Sensor

    Science.gov (United States)

    Robinson, Paul A., Jr.

    1988-01-01

    Charged-particle probe compact and consumes little power. Proposed modification enables metal oxide/semiconductor field-effect transistor (MOSFET) to act as detector of static electric charges or energetic charged particles. Thickened gate insulation acts as control structure. During measurements metal gate allowed to "float" to potential of charge accumulated in insulation. Stack of modified MOSFET'S constitutes detector of energetic charged particles. Each gate "floats" to potential induced by charged-particle beam penetrating its layer.

  13. Elicitin-induced distal systemic resistance in plants is mediated through the protein-protein interactions influenced by selected lysine residues

    Directory of Open Access Journals (Sweden)

    Hana eUhlíková

    2016-02-01

    Full Text Available Elicitins are a family of small proteins with sterol-binding activity that are secreted by Phytophthora and Pythium spp. classified as oomycete PAMPs. Although alfa- and beta-elicitins bind with the same affinity to one high affinity binding site on the plasma membrane, beta-elicitins (possessing 6-7 lysine residues are generally 50- to 100-fold more active at inducing distal HR and systemic resistance than the alfa-isoforms (with only 1-3 lysine residues.To examine the role of lysine residues in elicitin biological activity, we employed site-directed mutagenesis to prepare a series of beta-elicitin cryptogein variants with mutations on specific lysine residues. In contrast to direct infiltration of protein into leaves, application to the stem revealed a rough correlation between protein’s charge and biological activity, resulting in protection against Phytophthora parasitica. A detailed analysis of proteins’ movement in plants showed no substantial differences in distribution through phloem indicating differences in consequent apoplastic or symplastic transport. In this process, an important role of homodimer formation together with the ability to form a heterodimer with potential partner represented by endogenous plants LTPs is suggested. Our work demonstrates a key role of selected lysine residues in these interactions and stresses the importance of processes preceding elicitin recognition responsible for induction of distal systemic resistance.

  14. Use of nuclear and related techniques in studies of agroecological effects resulting from the use of persistent pesticides in Central America. Report of a final research co-ordination meeting

    International Nuclear Information System (INIS)

    1999-09-01

    The use of pesticides for the control of pests of agriculture and vectors of human and animal diseases in the countries of Central America is the highest per capita and one of the most intense in the world. There are reports of acute toxicity and chronic effects among farm workers. There are also reports that pesticide residues in food frequently exceed the Codex Alimentarius Commission's maximum residue levels (MRLs) and shipments of foodstuffs have been rejected by importing countries due to the presence of excessive residues of pesticides. Pesticides are also implicated in the contamination of continental and coastal waters. The indiscriminate use of pesticides would be expected to also aggravate pest problems by adversely affecting populations of beneficial arthropods and causing the development of resistance in pest populations. The Joint FAO/IAEA Division of Nuclear Techniques in Food and Agriculture initiated a co-ordinated research project in 1992 to generate information on residues of pesticides in the environment, their persistence under local conditions and effect on local species of beneficial arthropods in agricultural and adjacent areas in the countries of Central America. Such information could be used in the implementation of legislation to control the distribution and use of pesticides and the development and application of integrated pest management programmes. Scientists from Costa Rica, Guatemala, Honduras, Nicaragua, Panama and the United States of America participated in this project. This TECDOC reports on the accomplishments of the project and includes the papers presented at the final Research Co-ordination Meeting held in Panama City, Panama, 20-24 April 1998

  15. Dosimeter charging apparatus

    International Nuclear Information System (INIS)

    Reuter, F.A.; Moorman, Ch.J.

    1985-01-01

    An apparatus for charging a dosimeter which has a capacitor connected between first and second electrodes and a movable electrode in a chamber electrically connected to the first electrode. The movable electrode deflects varying amounts depending upon the charge present on said capacitor. The charger apparatus includes first and second charger electrodes couplable to the first and second dosimeter electrodes. To charge the dosimeter, it is urged downwardly into a charging socket on the charger apparatus. The second dosimeter electrode, which is the dosimeter housing, is electrically coupled to the second charger electrode through a conductive ring which is urged upwardly by a spring. As the dosimeter is urged into the socket, the ring moves downwardly, in contact with the second charger electrode. As the dosimeter is further urged downwardly, the first dosimeter electrode and first charger electrode contact one another, and an insulator post carrying the first and second charger electrodes is urged downwardly. Downward movement of the post effects the application of a charging potential between the first and second charger electrodes. After the charging potential has been applied, the dosimeter is moved further into the charging socket against the force of a relatively heavy biasing spring until the dosimeter reaches a mechanical stop in the charging socket

  16. Corrective response times in a coordinated eye-head-arm countermanding task.

    Science.gov (United States)

    Tao, Gordon; Khan, Aarlenne Z; Blohm, Gunnar

    2018-06-01

    Inhibition of motor responses has been described as a race between two competing decision processes of motor initiation and inhibition, which manifest as the reaction time (RT) and the stop signal reaction time (SSRT); in the case where motor initiation wins out over inhibition, an erroneous movement occurs that usually needs to be corrected, leading to corrective response times (CRTs). Here we used a combined eye-head-arm movement countermanding task to investigate the mechanisms governing multiple effector coordination and the timing of corrective responses. We found a high degree of correlation between effector response times for RT, SSRT, and CRT, suggesting that decision processes are strongly dependent across effectors. To gain further insight into the mechanisms underlying CRTs, we tested multiple models to describe the distribution of RTs, SSRTs, and CRTs. The best-ranked model (according to 3 information criteria) extends the LATER race model governing RTs and SSRTs, whereby a second motor initiation process triggers the corrective response (CRT) only after the inhibition process completes in an expedited fashion. Our model suggests that the neural processing underpinning a failed decision has a residual effect on subsequent actions. NEW & NOTEWORTHY Failure to inhibit erroneous movements typically results in corrective movements. For coordinated eye-head-hand movements we show that corrective movements are only initiated after the erroneous movement cancellation signal has reached a decision threshold in an accelerated fashion.

  17. Linear shaped charge

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, David; Stofleth, Jerome H.; Saul, Venner W.

    2017-07-11

    Linear shaped charges are described herein. In a general embodiment, the linear shaped charge has an explosive with an elongated arrowhead-shaped profile. The linear shaped charge also has and an elongated v-shaped liner that is inset into a recess of the explosive. Another linear shaped charge includes an explosive that is shaped as a star-shaped prism. Liners are inset into crevices of the explosive, where the explosive acts as a tamper.

  18. Internal Charging

    Science.gov (United States)

    Minow, Joseph I.

    2014-01-01

    (1) High energy (>100keV) electrons penetrate spacecraft walls and accumulate in dielectrics or isolated conductors; (2) Threat environment is energetic electrons with sufficient flux to charge circuit boards, cable insulation, and ungrounded metal faster than charge can dissipate; (3) Accumulating charge density generates electric fields in excess of material breakdown strenght resulting in electrostatic discharge; and (4) System impact is material damage, discharge currents inside of spacecraft Faraday cage on or near critical circuitry, and RF noise.

  19. PENETAPAN RESIDU DAN PERKIRAAN PENETAPAN BATAS MAKSIMUM RESIDU (BMR ORGANOKLORIN PADA SIMPLISIA

    Directory of Open Access Journals (Sweden)

    Ani Isnawati

    2012-10-01

    Full Text Available Penggunaaan bahan obat tradisional (simplisia untuk skala industri dan peningkatan produksi tanaman obat dalam skala besar menjadi tidak ekonomis tanpa pestisida. Disatu sisi penggunaan pestisida dapat menguntungkan yaitu menyebabkan toksis pada hama namun disisi lain toksisitas dapat terjadi juga pada manusia, sehingga residu pestisida dalam tanaman obat yang dikonsumsi dalam jangka panjang akan merugikan kesehatan. Batas maksimum Residu (BMR pestisida dalam simplisia baik di Indonesia maupun di negara lain belum ditetapkan. Sehingga untuk itu untuk mengetahui adanya residu pestisida jenis organoklorin yang telah dilarang penggunaannya melalui Permentan No.434.1/kpts/TP.270/7/2001 dan untuk mengetahui batas keamanannya, maka perlu dilakukan penetapan residu organoklorin dalam simplisia dan menetapkan batas keamanan berdasarkan perhitungan secara teoritis. Pengujian residu dilakukan terhadap golongan pestisida organoklorin pada 4 jenis simplisia (daun wungu (Graptophyllum pictum (L Grifl, daun sambiloto Andrographis paniculata Ness, herba pegagan (Centella  asiatica (L Urban, daun tempuyung (Sonchus arvensis (L yang berasal dari 3 lokasi penanaman, yaitu : perkebunan Tanaman Obat Manako (Jawa Barat, Balai Penelitian Tanaman Obat Tawangmangu (BPTO di Jawa Tengah dan Perkebunan Tanaman Obat Purwodadi (Jawa Timur. Pemeriksaan residu pestisida organoklorin menggunakan kromatografi gas dan perhitungan batas keamanan dihitung dengan adanya nilai ADI (Acceptable daily intake yang telah ditetapkan bersama antara JAO dan WHO serta perkiraan banyaknya konsumsi simplisia. Hasil Pengujian residu pestisida organoklorin diperoleh bahwa simplisia daun Wungu (Tawangmangu mengandung residu lindan dengan kadar 0,24 mg/kg, pegagan (Purwodadi, mengandung lindan 0,36 mg/kg dan aldrin 0,31 mg/kg serta pegagan (Manako mengandung heptaklor 0,15 mg/kg dan op-DDE 0,11 mg/kg. Adapun penghitungan BMR heptaklor dan lindan secara teoritis dengan asumsi rata

  20. Nickel-hydrogen battery state of charge during low rate trickle charging

    Science.gov (United States)

    Lurie, C.; Foroozan, S.; Brewer, J.; Jackson, L.

    1996-01-01

    The NASA AXAF-I program requires high battery state of charge at launch. Traditional approaches to providing high state of charge, during prelaunch operations, require significant battery cooling. The use of active cooling, in the AXAF-I prelaunch environment, was considered and proved to be difficult to implement and very expensive. Accordingly alternate approaches were considered. An approach utilizing adiabatic charging and low rate trickle charge, was investigated and proved successful.

  1. Nickel-hydrogen battery state of charge during low rate trickle charging

    Energy Technology Data Exchange (ETDEWEB)

    Lurie, C.; Foroozan, S.; Brewer, J.; Jackson, L. [TRW Space and Electronics Group, Redondo Beach, CA (United States)

    1996-02-01

    The NASA AXAF-I program requires high battery state of charge at launch. Traditional approaches to providing high state of charge, during prelaunch operations, require significant battery cooling. The use of active cooling, in the AXAF-I prelaunch environment, was considered and proved to be difficult to implement and very expensive. Accordingly alternate approaches were considered. An approach utilizing adiabatic charging and low rate trickle charge, was investigated and proved successful.

  2. Residual magnetic field in rotary machines; Campo magnetico residual en maquinas rotatorias

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez V, Esteban A; Apanco R, Marcelino [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico)

    2007-07-01

    The residual magnetism is a phenomenon in which the magnetic dipoles of a substance are oriented in a certain degree. On the other hand, when internal forces exist capable of aligning elementary magnetic dipoles of a material, a permanent magnet is obtained. Just as in a conductor or in a material, in the elements of a rotary electrical machine magnetic fields can be induced that produce a residual magnetism or magnetization. In the rotary electrical machines, the magnetization phenomenon causes serious problems, such as the generation of induced currents that propitiate the mechanical wear in bearings, collars, trunnions and inclusive in the shaft, by effects known as pitting, frosting and spark tracks, as well as erroneous readings in vibration and temperature sensors, that in some cases can cause the shut down of the machine. In this article are presented the general concepts on the residual magnetism in rotary electrical machines, the causes that originate it and the problems that arises, as well as the demagnetization of the components that have residual magnetic field. The results obtained by the area of Electrical Equipment of the Instituto de Investigaciones Electricas are revised, during the execution of activities related to the measurement and elimination of the residual magnetic field in rotary electrical machines. [Spanish] El magnetismo residual es un fenomeno en el que los dipolos magneticos de una sustancia se encuentran orientados en un grado determinado. Por otro lado, cuando existen fuerzas internas capaces de alinear los dipolos magneticos elementales de un material, se tiene un iman permanente. Al igual que en un conductor o un material, en los elementos de una maquina electrica rotatoria se pueden inducir campos magneticos que producen un magnetismo residual o magnetizacion. En las maquinas electricas rotatorias, el fenomeno de magnetizacion causa graves problemas, como la generacion de corrientes inducidas que propician el desgaste mecanico

  3. The curvature coordinate system

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2007-01-01

    The paper describes a concept for a curvature coordinate system on regular curved surfaces from which faceted surfaces with plane quadrangular facets can be designed. The lines of curvature are used as parametric lines for the curvature coordinate system on the surface. A new conjugate set of lin...

  4. Beam loss in HIRFL-CSR due to collisions with residual gas in vacuum

    International Nuclear Information System (INIS)

    Tang Jingyu; Lei Wen; Wang Yifang

    1998-01-01

    The author discusses the collision of heavy ions with residual gas atoms in the vacuum and the cross-sections of the collision processes. The method calculating beam transmission efficiency in vacuum is presented taking HIRFL and CSR machine as examples. Based on rich experimental data, a series of empirical formulae of calculating the cross-section of charge changing process is given. The transmission efficiency curves of different sections in HIRFL and CSR are also calculated, and thus the reasonable requirements for HIRFL and CSR vacuum systems are given. The calculation method has been checked by the measurements of vacuum and beam loss in HIRFL

  5. Electrostatic field and charge distribution in small charged dielectric droplets

    Science.gov (United States)

    Storozhev, V. B.

    2004-08-01

    The charge distribution in small dielectric droplets is calculated on the basis of continuum medium approximation. There are considered charged liquid spherical droplets of methanol in the range of nanometer sizes. The problem is solved by the following way. We find the free energy of some ion in dielectric droplet, which is a function of distribution of other ions in the droplet. The probability of location of the ion in some element of volume in the droplet is a function of its free energy in this element of volume. The same approach can be applied to other ions in the droplet. The obtained charge distribution differs considerably from the surface distribution. The curve of the charge distribution in the droplet as a function of radius has maximum near the surface. Relative concentration of charges in the vicinity of the center of the droplet does not equal to zero, and it is the higher, the less is the total charge of the droplet. According to the estimates the model is applicable if the droplet radius is larger than 10 nm.

  6. Electrostatic field and charge distribution in small charged dielectric droplets

    International Nuclear Information System (INIS)

    Storozhev, V.B.

    2004-01-01

    The charge distribution in small dielectric droplets is calculated on the basis of continuum medium approximation. There are considered charged liquid spherical droplets of methanol in the range of nanometer sizes. The problem is solved by the following way. We find the free energy of some ion in dielectric droplet, which is a function of distribution of other ions in the droplet. The probability of location of the ion in some element of volume in the droplet is a function of its free energy in this element of volume. The same approach can be applied to other ions in the droplet. The obtained charge distribution differs considerably from the surface distribution. The curve of the charge distribution in the droplet as a function of radius has maximum near the surface. Relative concentration of charges in the vicinity of the center of the droplet does not equal to zero, and it is the higher, the less is the total charge of the droplet. According to the estimates the model is applicable if the droplet radius is larger than 10 nm

  7. Solid radioactive waste: evaluation of residual activity in nuclear medicine services

    International Nuclear Information System (INIS)

    Alabarse, Frederico G.; Xavier, Ana M.; Magalhaes, Maisa H.; Guerrero, Jesus S.P.

    2009-01-01

    An experimental programme to estimate, with a better degree of accuracy, the activity that remains adsorbed in flasks and syringes used in Nuclear Medicine Services for the administration of radionuclides to patients submitted to diagnostic or therapy is been conducted under the coordination of the Radioactive Waste Division of the Brazilian Nuclear Energy Commission, CNEN. The adopted recommendation in Brazil to allow an expedite solid waste management in nuclear medicine facilities, up to the present, is to consider that 2% of the initial activity remains adsorbed in the solid waste, which easily allows the calculation of the storage time to achieve regulatory clearance levels by decay. This research evaluates 17 different kinds of radiopharmaceuticals and three radioisotopes: 99m Tc, 67 Ga and 201 Tl. Results obtained by means of a weighting method to estimate the residual mass in flasks show that the ratio of the mass of the liquid that remains in the solid waste to the mass of the empty flask is constant. This suggests that the residual activity depends on the initial activity concentration of radiopharmaceutical contained in each flask, as assumed by the regulatory body. Additionally, results obtained by determining the remaining activity in flasks, shortly after the injection of its radionuclide contents in patients, indicate that an average value for the residual activity of the order of 10% of the initial activity contained in the flasks or syringes should be adopted to determine the decay storage time before the release of solid waste in the urban conventional land fill disposal system. The 'rule of thumb' of 10 half-lives for storage before clearance is also discussed in the present work. (author)

  8. Coordinates in relativistic Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Sokolov, S.N.

    1984-01-01

    The physical (covariant and measurable) coordinates of free particles and covariant coordinates of the center of inertia are found for three main forms of relativistic dynamics. In the point form of dynamics, the covariant coordinates of two directly interacting particles are found, and the equations of motion are brought to the explicitly covariant form. These equations are generalized to the case of interaction with an external electromagnetic field

  9. Slowly rotating charged fluid balls and their matching to an exterior domain

    International Nuclear Information System (INIS)

    Fodor, Gyula; Perjes, Zoltan; Bradley, Michael

    2002-01-01

    The slow-rotation approximation of Hartle is developed to a setting where a charged rotating fluid is present. The linearized Einstein-Maxwell equations are solved on the background of the Reissner-Nordstroem space-time in the exterior electrovacuum region. The theory is put to action for the charged generalization of the Wahlquist solution found by Garcia. The Garcia solution is transformed to coordinates suitable for the matching and expanded in powers of the angular velocity. The two domains are then matched along the zero pressure surface using the Darmois-Israel procedure. We prove a theorem to the effect that the exterior region is asymptotically flat if and only if the parameter C 2 , characterizing the magnitude of an external magnetic field, vanishes. We obtain the form of the constant C 2 for the Garcia solution. We conjecture that the Garcia metric cannot be matched to an asymptotically flat exterior electrovacuum region even to first order in the angular velocity. This conjecture is supported by a high precision numerical analysis

  10. A hybrid charged-particle guide for studying (n, charged particle) reactions

    International Nuclear Information System (INIS)

    Haight, R.C.; White, R.M.; Zinkle, S.J.

    1983-01-01

    Charged-particle transport systems consisting of magnetic quadrupole lenses have been employed in recent years in the study of (n, charged particle) reactions. A new transport system was completed at the laboratory that is based both on magnetic lenses as well as electrostatic fields. The magnetic focusing of the charged-particle guide is provided by six magnetic quadrupole lenses arranged in a CDCCDC sequence (in the vertical plane). The electrostatic field is produced by a wire at high voltage which stretches the length of the guide and is physically at the centre of the magnetic axis. The magnetic lenses are used for charged particles above 5 MeV; the electrostatic guide is used for lower energies. This hybrid system possesses the excellent focusing and background rejection properties of other magnetic systems. For low energy charged-particles, the electrostatic transport avoids the narrow band-passes in charged-particle energy which are a problem with purely magnetic transport systems. This system is installed at the LLNL Cyclograaff facility for the study of (n, charged particle) reactions at neutron energies up to 35 MeV. (Auth.)

  11. Treatment of drinking water residuals: comparing sedimentation and dissolved air flotation performance with optimal cation ratios.

    Science.gov (United States)

    Bourgeois, J C; Walsh, M E; Gagnon, G A

    2004-03-01

    Spent filter backwash water (SFBW) and clarifier sludge generally comprise the majority of the waste residual volume generated and in relative terms, these can be collectively referred to as combined filter backwash water (CFBW). CFBW is essentially a low-solids wastewater with metal hydroxide flocs that are typically light and slow to settle. This study evaluates the impact of adding calcium and magnesium carbonates to CFBW in terms of assessing the impacts on the sedimentation and DAF separation processes. Representative CFBW samples were collected from two surface water treatment plants (WTP): Lake Major WTP (Dartmouth, Nova Scotia, Canada) and Victoria Park WTP (Truro, Nova Scotia, Canada). Bench-scale results indicated that improvements in the CFBW settled water quality could be achieved through the addition of the divalent cations, thereby adjusting the monovalent to divalent (M:D) ratios of the wastewater. In general, the DAF process required slightly higher M:D ratios than the sedimentation process. The optimum M:D ratios for DAF and sedimentation were determined to be 1:1 and 0.33:1, respectively. It was concluded that the optimisation of the cation balance between monovalent cations (e.g., Na(+), K(+)) and added divalent cations (i.e., Ca(2+), Mg(2+)) aided in the settling mechanism through charge neutralisation-precipitation. The increase in divalent cation concentrations within the waste residual stream promoted destabilisation of the negatively charged colour molecules within the CFBW, thereby causing the colloidal content to become more hydrophobic.

  12. UV-LED-based charge control for LISA

    Science.gov (United States)

    Olatunde, Taiwo; Shelley, Ryan; Chilton, Andrew; Ciani, Giacomo; Mueller, Guido; Conklin, John

    2014-03-01

    The test masses inside the LISA gravitational reference sensors (GRS) must maintain almost pure geodesic motion for gravitational waves to be successfully detected. The residual accelerations have to stay below 3fm/s2/rtHz at all frequencies between 0.1 and 3 mHz. One of the well known noise sources is associated with the charges on the test masses which couple to stray electrical potentials and external electro-magnetic fields. The LISA pathfinder (LPF) will use Hg-discharge lamps emitting mostly around 253 nm to discharge the test masses via photoemission in its 2015/16 flight. A future LISA mission launched around 2030 will likely replace the lamps with newer UV-LEDs. UV-LEDs have a lower mass, a better power efficiency, and are smaller than their Hg counterparts. Furthermore, the latest generation produces light at 240 nm, with energy well above the work function of pure gold. I will describe a preliminary design for effective charge control through photoelectric effect by using these LEDs. The effectiveness of this method is verified by taking Quantum Efficiency (QE) measurements which relate the number of electrons emitted to the number of photons incident on the Au test mass surface. This presentation addresses our initial results and future plans which includes implementation and testing in the UF torsion pendulum and space-qualification in a small satellite mission which will launch in the summer of 2014, through a collaboration with Stanford, KACST, and NASA Ames Research Center.

  13. Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part I: numerical scheme

    Science.gov (United States)

    Rõõm, Rein; Männik, Aarne; Luhamaa, Andres

    2007-10-01

    Two-time-level, semi-implicit, semi-Lagrangian (SISL) scheme is applied to the non-hydrostatic pressure coordinate equations, constituting a modified Miller-Pearce-White model, in hybrid-coordinate framework. Neutral background is subtracted in the initial continuous dynamics, yielding modified equations for geopotential, temperature and logarithmic surface pressure fluctuation. Implicit Lagrangian marching formulae for single time-step are derived. A disclosure scheme is presented, which results in an uncoupled diagnostic system, consisting of 3-D Poisson equation for omega velocity and 2-D Helmholtz equation for logarithmic pressure fluctuation. The model is discretized to create a non-hydrostatic extension to numerical weather prediction model HIRLAM. The discretization schemes, trajectory computation algorithms and interpolation routines, as well as the physical parametrization package are maintained from parent hydrostatic HIRLAM. For stability investigation, the derived SISL model is linearized with respect to the initial, thermally non-equilibrium resting state. Explicit residuals of the linear model prove to be sensitive to the relative departures of temperature and static stability from the reference state. Relayed on the stability study, the semi-implicit term in the vertical momentum equation is replaced to the implicit term, which results in stability increase of the model.

  14. Mapping allostery through computational glycine scanning and correlation analysis of residue-residue contacts.

    Science.gov (United States)

    Johnson, Quentin R; Lindsay, Richard J; Nellas, Ricky B; Fernandez, Elias J; Shen, Tongye

    2015-02-24

    Understanding allosteric mechanisms is essential for the physical control of molecular switches and downstream cellular responses. However, it is difficult to decode essential allosteric motions in a high-throughput scheme. A general two-pronged approach to performing automatic data reduction of simulation trajectories is presented here. The first step involves coarse-graining and identifying the most dynamic residue-residue contacts. The second step is performing principal component analysis of these contacts and extracting the large-scale collective motions expressed via these residue-residue contacts. We demonstrated the method using a protein complex of nuclear receptors. Using atomistic modeling and simulation, we examined the protein complex and a set of 18 glycine point mutations of residues that constitute the binding pocket of the ligand effector. The important motions that are responsible for the allostery are reported. In contrast to conventional induced-fit and lock-and-key binding mechanisms, a novel "frustrated-fit" binding mechanism of RXR for allosteric control was revealed.

  15. 45 CFR 1310.23 - Coordinated transportation.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false Coordinated transportation. 1310.23 Section 1310... START PROGRAM HEAD START TRANSPORTATION Special Requirements § 1310.23 Coordinated transportation. (a) Each agency providing transportation services must make reasonable efforts to coordinate transportation...

  16. Characterization Report on Sand, Slag, and Crucible Residues and on Fluoride Residues

    International Nuclear Information System (INIS)

    Murray, A.M.

    1999-01-01

    This paper reports on the chemical characterization of the sand, slag, and crucible (SS and C) residues and the fluoride residues that may be shipped from the Rocky Flats Environmental Technology Site (RFETS) to Savannah River Site (SRS)

  17. Need for reaction coordinates to ensure a complete basis set in an adiabatic representation of ion-atom collisions

    Science.gov (United States)

    Rabli, Djamal; McCarroll, Ronald

    2018-02-01

    This review surveys the different theoretical approaches, used to describe inelastic and rearrangement processes in collisions involving atoms and ions. For a range of energies from a few meV up to about 1 keV, the adiabatic representation is expected to be valid and under these conditions, inelastic and rearrangement processes take place via a network of avoided crossings of the potential energy curves of the collision system. In general, such avoided crossings are finite in number. The non-adiabatic coupling, due to the breakdown of the Born-Oppenheimer separation of the electronic and nuclear variables, depends on the ratio of the electron mass to the nuclear mass terms in the total Hamiltonian. By limiting terms in the total Hamiltonian correct to first order in the electron to nuclear mass ratio, a system of reaction coordinates is found which allows for a correct description of both inelastic channels. The connection between the use of reaction coordinates in the quantum description and the electron translation factors of the impact parameter approach is established. A major result is that only when reaction coordinates are used, is it possible to introduce the notion of a minimal basis set. Such a set must include all avoided crossings including both radial coupling and long range Coriolis coupling. But, only when reactive coordinates are used, can such a basis set be considered as complete. In particular when the centre of nuclear mass is used as centre of coordinates, rather than the correct reaction coordinates, it is shown that erroneous results are obtained. A few results to illustrate this important point are presented: one concerning a simple two-state Landau-Zener type avoided crossing, the other concerning a network of multiple crossings in a typical electron capture process involving a highly charged ion with a neutral atom.

  18. Optimization of strong and weak coordinates

    NARCIS (Netherlands)

    Swart, M.; Bickelhaupt, F.M.

    2006-01-01

    We present a new scheme for the geometry optimization of equilibrium and transition state structures that can be used for both strong and weak coordinates. We use a screening function that depends on atom-pair distances to differentiate strong coordinates from weak coordinates. This differentiation

  19. Electric vehicle battery charging controller

    DEFF Research Database (Denmark)

    2016-01-01

    The present invention provides an electric vehicle charging controller. The charging controller comprises a first interface connectable to an electric vehicle charge source for receiving a charging current, a second interface connectable to an electric vehicle for providing the charging current...... to a battery management system in the electric vehicle to charge a battery therein, a first communication unit for receiving a charging message via a communication network, and a control unit for controlling a charging current provided from the charge source to the electric vehicle, the controlling at least...... in part being performed in response to a first information associated with a charging message received by the first communication unit...

  20. Portable refrigerant charge meter and method for determining the actual refrigerant charge in HVAC systems

    Science.gov (United States)

    Gao, Zhiming; Abdelaziz, Omar; LaClair, Tim L.

    2017-08-08

    A refrigerant charge meter and a method for determining the actual refrigerant charge in HVAC systems are described. The meter includes means for determining an optimum refrigerant charge from system subcooling and system component parameters. The meter also includes means for determining the ratio of the actual refrigerant charge to the optimum refrigerant charge. Finally, the meter includes means for determining the actual refrigerant charge from the optimum refrigerant charge and the ratio of the actual refrigerant charge to the optimum refrigerant charge.