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Sample records for ev isomeric states

  1. Splitting sensitivity of the ground and 7.6 eV isomeric states of 229Th

    International Nuclear Information System (INIS)

    Hayes, A. C.; Friar, J. L.; Moeller, P.

    2008-01-01

    The lowest-known excited state in nuclei is the 7.6 eV isomer of 229 Th. This energy is within the range of laser-based investigations that could allow accurate measurements of possible temporal variation of this energy splitting. This in turn could probe temporal variation of the fine-structure constant or other parameters in the nuclear Hamiltonian. We investigate the sensitivity of this transition energy to these quantities. We find that the two states are predicted to have identical deformations and thus the same Coulomb energies within the accuracy of the model (viz., within roughly 30 keV). We therefore find no enhanced sensitivity to variation of the fine-structure constant. In the case of the strong interaction the energy splitting is found to have a complicated dependence on several parameters of the interaction, which makes an accurate prediction of sensitivity to temporal changes of fundamental constants problematical. Neither the strong- nor Coulomb-interaction contributions to the energy splitting of this doublet can be constrained within an accuracy better than a few tens of keV, so that only upper limits can be set on the possible sensitivity to temporal variations of the fundamental constants

  2. Isomeric states in 253No and 253Fm

    International Nuclear Information System (INIS)

    Antalic, S.; Kalaninova, Z.; Saro, S.; Venhart, M.; Hessberger, F.P.; Ackermann, D.; Heinz, S.; Kindler, B.; Khuyagbaatar, J.; Kojouharov, I.; Kuusiniemi, P.; Lommel, B.; Mann, R.; Sulignano, B.; Hofmann, S.; Leino, M.; Nishio, K.; Streicher, B.

    2011-01-01

    Nuclear structure and decay of isomeric states in 253 No were investigated. The isotope was produced by the reaction 48 Ca + 207 Pb. The excitation energy of the known single-particle isomeric state (5/2 + [622]) was measured by delayed coincidences between γ-rays and implanted evaporation residues and was placed into the level scheme. In addition, decay of a high-lying multi-quasiparticle isomer in 253 No was studied using e - -γ coincidence measurements. A rotational band populated by its de-excitation was identified in 253 No. A new isomeric state in 253 Fm was observed and a partial-level scheme for this isotope is suggested. In addition γ transitions from excited levels are reported for 253 Md. (orig.)

  3. Study of the isomeric states of 66As

    International Nuclear Information System (INIS)

    Czajkowski, S.; Blank, B.; Andriamonje, S.; Attallah, F.; Boue, F.; Davi, F.; Del Moral, R.; Fleury, A.; Musquere, A.; Pravikoff, M.S.; Dufour, J-P; Grzywacz, R.; Janas, Z.; Karny, M.; Pfuetzner, M.; Donzaud, C.; Grewe, A.; Heinz, A.; Junghans, A.; Lewitowicz, M.; Sauvestre, J-E.

    1997-01-01

    The most neutron-deficient isotopes in the N = Z region are an important source of information on the neutron-proton interaction far off stability. The isotopes in this region are characterized by an extreme sensitivity of the deformation to the isospin variations. Here the structure of deformed shells are favoring the high spin states the lifetime of which being sufficient long to be observed after flight time of the order of the microsecond. The study of the decay of this isomeric states permits to approach the structure of the first excited levels of this isotopes. Recent experiments at GANIL with the SISSI - LISE 3 spectrometer were performed to study the neutron deficient nucleus 66 As. This nucleus was produced in the fragmentation of 70 MeV/u 78 Kr primary beam in a nickel target. Two new isomeric states have been observed. From the observed γ transitions a decay scheme is proposed

  4. Molecular and excited state properties of isomeric scarlet disperse dyes

    Science.gov (United States)

    Lim, Jihye; Szymczyk, Malgorzata; Mehraban, Nahid; Ding, Yi; Parrillo-Chapman, Lisa; El-Shafei, Ahmed; Freeman, Harold S.

    2018-06-01

    This work was part of an investigation aimed at characterizing the molecular and excited state properties of currently available disperse dyes developed to provide stability to extensive sunlight exposures when adsorbed on poly(ethylene terephthalate) (PET) fibers. Having completed the characterization of yellow, magenta, and cyan disperse dyes for PET-based fabrics used outdoors, our attention turned to the colors designed to enhance the color gamut of a standard 4-member (cyan/yellow/magenta/black) color set. The present study pertained specifically to the characterization of commercially available scarlet dyes. In this regard, HPLC analysis showed that a scarlet product used for PET coloration was mainly a 70/30 mixture of dyes, and the use of HRMS and single crystal X-ray diffraction analyses indicated that these two dyes were azo compounds derived from isomeric pyridine-based couplers which differed in the location of the primary amino (sbnd NH2) and anilino (sbnd NHPh) groups attached to the pyridine ring. One dye structure has the sbnd NHPh group para to the azo group (Sc2), while the other has that group in the ortho position (Sc3). The presence of either ortho substituent provides photostabilization through intramolecular H-bonding with the azo moiety. Further, results from molecular modeling studies showed that the lower excited state oxidation potential of Sc3 relative to that of Sc2 allows Sc3 to function as an energy quencher for the excited state of Sc2 - through thermodynamically favorable electron transfer.

  5. New isomeric states in 152,154,156Nd produced by spontaneous fission of 252Cf

    International Nuclear Information System (INIS)

    Gautherin, C.; Houry, M.; Korten, W.; Le Coz, Y.; Lucas, R.; Phan, X.H.; Theisen, C.; Belier, G.; Girod, M.; Meot, V.; Peru, S.; Astier, A.; Ducroux, L.; Meyer, M.; Redon, N.

    1998-01-01

    Isomeric states have been observed in fission-fragments produced by spontaneous fission of 252 Cf. These states are found in neutron rich nuclei of different structure and deformations. About 50 isomeric nuclei have been observed using coincidences between γ-rays identified in EUROGAM II and fission fragments detected in photovoltaic cells (SAPhIR). Lifetimes in the range from 20 ns to 2μs have been measured. Presented calculations based on HFB+D1S force on new measured isomeric states in the 152,154,156 Nd show evidence for K-isomers. (orig.)

  6. High spin states in 63Cu. 17/2+ isomeric yrast state

    International Nuclear Information System (INIS)

    Tsan Ung Chan; Bruandet, J.F.; Dauchy, A.; Giorni, A.; Glasser, F.; Morand, C.; Chambon, B.; Drain, D.

    1979-01-01

    The 63 Cu nucleus has been studied via the reaction 61 Ni(α, pnγ), using different in beam γ spectroscopy techniques. An isomeric high-spin Yrast state 17/2 + (tau = 6.1 +- 0.6ns) is located at 4498 keV. The gsub(9/2) shell must be involved to explain positive high-spin states established in this work [fr

  7. High spin states and isomeric decays in doubly-odd 208Fr

    International Nuclear Information System (INIS)

    Kanjilal, D.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R.; Saha, S.; Bhowmik, R.K.; Gehlot, J.; Muralithar, S.; Singh, R.P.; Jnaneswari, G.; Mukherjee, G.; Mukherjee, B.

    2010-01-01

    Neutron deficient isotopes of francium (Z=87, N∼121-123) as excited nuclei were produced in the fusion-evaporation reaction: 197 Au( 16 O, xn) 213-x Fr at 100 MeV. The γ rays from the residues were observed through the high sensitivity Germanium Clover detector array INGA. The decay of the high spin states and the isomeric states of the doubly-odd 208 Fr nuclei, identified from the known sequence of ground state transitions, were observed. The half-lives of the E γ =194(2) keV isomeric transition, known from earlier observations, was measured to be T 1/2 =233(18) ns. A second isomeric transition at E γ =383(2) keV and T 1/2 =33(7) ns was also found. The measured half-lives were compared with the corresponding single particle estimates, based on the level scheme obtained from the experiment.

  8. Excitation of isomeric states 1h11/2 in (γ, n) reactions

    International Nuclear Information System (INIS)

    Tonchev, A.P.; Gangrskij, Yu.P.; Belov, A.G.

    1995-01-01

    The cross sections of (γ, n) reactions were measured for ground and isomeric states 1h 11/2 in 16 isotopes of Pd, Cd, Sn, Te, Ba, Ce, Nd and Sm. The energy of γ-rays was placed in the region of Giant Dipole Resonance. An activation method of measurements has been used. IR dependence of neutron and proton number in nucleus was detected and of excitation energy of residual nucleus as well. Different factors influencing the values of the isomeric ratios are discussed. 20 refs., 5 figs., 2 tabs

  9. Concurrent Mass Measurement and Laser Spectroscopy for Unambiguous Isomeric State Assignment

    Science.gov (United States)

    Lascar, Daniel; Babcock, Carla; Henderson, Jack; Pearson, Matt

    2017-09-01

    Recent work by the TITAN group at TRIUMF on isomeric state mass measurements of odd-A, neutron-rich cadmium nuclei has shown a disconnect between experiment and theory in 127 g , mCd. The spin and parity assignments of the ground and isomeric states are assigned as 3/2+ and 11/2-, respectively, primarily via systematic arguments. Conversely, state of the art shell model and ab initio calculations show a reversal of the states, predicting a ground state of 11/2- and a 3/2+ isomer. Penning Trap Mass Spectrometry (PTMS) can measure the energy separation between the ground state and the isomer without ambiguity but cannot, on its own, comment on the spin and parity. Collinear Laser Spectroscopy (CLS) experiments have been performed on 127Cd and have elegantly demonstrated the existence of both 3/2+ and 11/2- states. What CLS cannot do, on its own, is assign an ordering to those states. If, however, a PTMS and CLS experiment could be performed concurrently using identical beams from the same facility then there exists sufficient information shared between both experiments that a definitive assignment can be made. We present a concept for a new slate of measurements using existing experimental facilities simultaneously, with shared resources, to definitively assign spin and parity for ground and isomeric states in short-lived nuclei.

  10. Observation of excited states and isomeric decays in doubly-odd 208Fr

    International Nuclear Information System (INIS)

    Kanjilal, D.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R.; Saha, S.; Bhowmik, R.K.; Gehlot, J.; Jnaneswari, G.; Muralithar, S.; Singh, R.P.; Mukherjee, B.; Mukherjee, G.

    2009-01-01

    The nuclei near the doubly magic 208 Pb are predicted to exhibit various interesting structural phenomena, one of which is a wealth of isomerism. However, a detailed study of high spin states of 211, 212, 213 Fr has already been done. Structure of such trans-Lead nuclei can be interpreted in terms of the shell model states, and the high spin states of these nuclei are interpreted. One of the major interests in the spectroscopic investigation of these nuclei is the role played by the i 13/2 state in creating isomeric levels which decay through transitions of higher muiltipolarity, or are hindered by the close proximity of the levels below. A systematic study of these nuclei will possibly reveal many other interesting structural features

  11. New isomeric states in {sup 152,154,156}Nd produced by spontaneous fission of {sup 252}Cf

    Energy Technology Data Exchange (ETDEWEB)

    Gautherin, C.; Houry, M.; Korten, W.; Le Coz, Y.; Lucas, R.; Phan, X.H.; Theisen, C. [Commissariat l`Energie Atomique de Saclay, Gif sur Yvette (France). DSM/DAPINA/SPhN; Badimon, C.; Barreau, G.; Doan, T.P.; Pedemay, G. [Centre d`Etudes Nucleaires de Bordeaux-Gradignan, Domaine du Haut Vigneau, F-33175 Gradignan (France); Belier, G.; Girod, M.; Meot, V.; Peru, S. [Commissariat a l`Energie Atomique de Bruyeres-le-Chatel, DAM/SPN, BP12, F-91680 Bruyeres-le-Chatel (France); Astier, A.; Ducroux, L.; Meyer, M.; Redon, N. [Institut de Physique Nucleaire de Lyon, F-69622 Villeurbanne Cedex (France)

    1998-04-01

    Isomeric states have been observed in fission-fragments produced by spontaneous fission of {sup 252}Cf. These states are found in neutron rich nuclei of different structure and deformations. About 50 isomeric nuclei have been observed using coincidences between {gamma}-rays identified in EUROGAM II and fission fragments detected in photovoltaic cells (SAPhIR). Lifetimes in the range from 20 ns to 2{mu}s have been measured. Presented calculations based on HFB+D1S force on new measured isomeric states in the {sup 152,154,156}Nd show evidence for K-isomers. (orig.) With 8 figs., 27 refs.

  12. Multi-quasiparticle high-K isomeric states in deformed nuclei

    Directory of Open Access Journals (Sweden)

    Xu F. R.

    2016-01-01

    Full Text Available In the past years, we have made many theoretical investigations on multi-quasiparticle high-K isomeric states. A deformation-pairing-configuration self-consistent calculation has been developed by calculating a configuration-constrained multi-quasiparticle potential energy surface (PES. The specific single-particle orbits that define the high-K configuration are identified and tracked (adiabatically blocked by calculating the average Nilsson numbers. The deformed Woods-Saxon potential was taken to give single-particle orbits. The configuration-constrained PES takes into account the shape polarization effect. Such calculations give good results on excitation energies, deformations and other structure information about multi-quasiparticle high-K isomeric states. Many different mass regions have been investigated.

  13. High spin states and isomeric decays in doubly-odd {sup 208}Fr

    Energy Technology Data Exchange (ETDEWEB)

    Kanjilal, D.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R. [Nuclear and Atomic Physics Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India); Saha, S., E-mail: satyajit.saha@saha.ac.i [Nuclear and Atomic Physics Division, Saha Institute of Nuclear Physics, Kolkata 700064 (India); Bhowmik, R.K.; Gehlot, J.; Muralithar, S.; Singh, R.P. [Inter University Accelerator Centre, New Delhi 110067 (India); Jnaneswari, G. [Department of Physics, Andhra University, Vishakhapatnam 530003 (India); Mukherjee, G. [Variable Energy Cyclotron Centre, Kolkata 700064 (India); Mukherjee, B. [Department of Physics, Visva Bharati, Santiniketan 731235 (India)

    2010-10-15

    Neutron deficient isotopes of francium (Z=87, N{approx}121-123) as excited nuclei were produced in the fusion-evaporation reaction: {sup 197}Au({sup 16}O, xn) {sup 213-x}Fr at 100 MeV. The {gamma} rays from the residues were observed through the high sensitivity Germanium Clover detector array INGA. The decay of the high spin states and the isomeric states of the doubly-odd {sup 208}Fr nuclei, identified from the known sequence of ground state transitions, were observed. The half-lives of the E{sub {gamma}=}194(2) keV isomeric transition, known from earlier observations, was measured to be T{sub 1/2}=233(18) ns. A second isomeric transition at E{sub {gamma}=}383(2) keV and T{sub 1/2}=33(7) ns was also found. The measured half-lives were compared with the corresponding single particle estimates, based on the level scheme obtained from the experiment.

  14. The study of a new short-life isomeric state in 38K

    International Nuclear Information System (INIS)

    Iordachescu, A.

    1976-01-01

    The 38 K nucleus having a protone and neutron hole coupled with a 40 Ca inert core has a structure analysed easily by the shell model. A new short life, high spin and highly excited isomeric state of the 38 K nucleus has been studied in detail using this model. Theoretical aspects connected with static and dynamic electromagnetic moments of the nucleus state, with the magnetic moment of the nucleus and the selection rules according to the isotopic spin are presented in the case of gamma transitions. Experimentallz/ presented in the case of gamma transitions. Experimentally, it has been used a combination between a natural pulsation of the cyclotron beam and an external pulsation by electrostatic deflexion, thus obtaining a pulsation beam of 12-26 MeV alpha particles. As targets, a series of chemical chlorine combinations have been utilized, the isomeric state being obtained by the reaction 35 Cl(α,n) 38 K, having the isomeric level (1fsub(7/2))sub(7+)sup(2). (author)

  15. First observation of isomeric state in {sup 97}Rb

    Energy Technology Data Exchange (ETDEWEB)

    Rudigier, Matthias; Blazhev, Andrey; Regis, Jean-Marc; Warr, Nigel; Jolie, Jan; Fransen, Christoph; Hackstein, Matthias; Pfeiffer, Michael; Rother, Wolfram; Thomas, Tim [IKP, Univ. Koeln (Germany); Simpson, Gary; Ramdhane, Mourad [LPSC, Grenoble (France); Koester, Ulli; Materna, Thomas; Urban, Waldemar [ILL, Grenoble (France); Daugas, Jean-Michel [CEA, DAM, DIF, Arpajon (France)

    2012-07-01

    Data on a new microsecond isomer in {sup 97}Rb are presented. The measurement was conducted at the LOHENGRIN mass separator at the ILL, Grenoble. We were able to deduce the level energy and lifetime of the state. The multipolarity of the transition to the ground state was determined using conversion electron spectroscopy. This information enabled us to assign a spin and parity to the state, based on quasi-particle-rotor model calculations. The nucleus {sup 97}Rb has neutron number 60, and is thus situated in the shape-phase transition line of the mass 100 nuclei. It is discussed how the new state fits into the region and the Rb-isotopic chain. Furthermore some new results on the decay of the 9/2{sup +} microsecond isomer of {sup 97}Sr are presented and discussed.

  16. Thermal isomerization of azobenzenes: on the performance of Eyring transition state theory

    Science.gov (United States)

    Rietze, Clemens; Titov, Evgenii; Lindner, Steven; Saalfrank, Peter

    2017-08-01

    The thermal Z\\to E (back-)isomerization of azobenzenes is a prototypical reaction occurring in molecular switches. It has been studied for decades, yet its kinetics is not fully understood. In this paper, quantum chemical calculations are performed to model the kinetics of an experimental benchmark system, where a modified azobenzene (AzoBiPyB) is embedded in a metal-organic framework (MOF). The molecule can be switched thermally from cis to trans, under solvent-free conditions. We critically test the validity of Eyring transition state theory for this reaction. As previously found for other azobenzenes (albeit in solution), good agreement between theory and experiment emerges for activation energies and activation free energies, already at a comparatively simple level of theory, B3LYP/6-31G* including dispersion corrections. However, theoretical Arrhenius prefactors and activation entropies are in qualitiative disagreement with experiment. Several factors are discussed that may have an influence on activation entropies, among them dynamical and geometric constraints (imposed by the MOF). For a simpler model—Z\\to E isomerization in azobenzene—a systematic test of quantum chemical methods from both density functional theory and wavefunction theory is carried out in the context of Eyring theory. Also, the effect of anharmonicities on activation entropies is discussed for this model system. Our work highlights capabilities and shortcomings of Eyring transition state theory and quantum chemical methods, when applied for the Z\\to E (back-)isomerization of azobenzenes under solvent-free conditions.

  17. g-factor of the 7- isomeric state in 128Ba

    International Nuclear Information System (INIS)

    Kaur, J.; Bansal, N.; Bhati, A.K.; Sharma, V.R.; Kumar, H.; Kumar, R.; Bhowmik, R.K.; Kumar, V.

    2014-01-01

    The time differential perturbed angular distribution technique (TDPAD) has been used to measure the g-factor of the 2396 keV, 7 - isomeric state in 128 Ba. The measured value of g(7 - ) is 1.21 ± 0.01. This value is about 80% higher than the value for the expected configuration of the state and also different in sign. This clearly shows that the configuration of the state does not correspond to the pure two quasineutron configuration that was assigned to it through previous results of in-beam γ-ray spectroscopy

  18. Abnormal radioactive decays out of long-lived super- and hyper-deformed isomeric states

    International Nuclear Information System (INIS)

    Marinov, A.; Gelberg, S.; Kolb, D.

    2000-01-01

    Complete text of publication follows. Recently (1-3) long-lived isomeric states have been found in the super- and hyper-deformed wells of the potential. These isomers manifested themselves by abnormal particle decays. An isomeric state in the superdeformed well of the potential in the parent nucleus can decay by very enhanced α-particle groups to superdeformed states in the daughter (1) or by very retarded α-particles (3) and also by protons (2) to normal states in the daughters. Similarly an isomeric state in the hyper-deformed well may decay by very retarded α-particle groups to superdeformed states (3), or by very enhanced α-groups to hyper-deformed states in the daughter nucleus (4). All these very unusual decay modes have been observed experimentally (1-4). For instance, a very high energy α-group of 8.6 MeV with 40d ≤ t 1/2 ≤ 2y (retardation factor of ∼10 13 ) has been observed in 195 Hg and interpreted as a III min → II min α-transition (3). Likewise, relatively low-energy and very enhanced α-particle groups (enhancement factors of 10 5 to 10 7 ) have been seen in several actinide sources and interpreted as due to II min → II min and III min → III min transitions (4). These unusual decay modes introduce new considerations in the study of heavy and superheavy elements. For instance, if low-energy α-particle groups around 4.4 - 4.6 MeV have been seen in nature (5), they may be interpreted as due to very enhanced III min → III min transitions in the superheavy element region around Z = 108 (eka-Os) with t 1/2 ∼10 8 y rather than ∼10 15 y as expected for normal α-transitions of such energies in this region, or due to very retarded III min → II min or II min → I min decays in nuclei around Os itself. In both cases, if such activities have been seen in nature, they indicate that the existence of the II min and III min isomeric states may be important in the nucleosynthesis process. It should be mentioned that long-lived high

  19. A system to measure isomeric state half-lives in the 10 ns to 10 μs range

    Energy Technology Data Exchange (ETDEWEB)

    Toufen, D. L., E-mail: dennis@if.usp.br [Institute of Physics, University of São Paulo, C.P. 66318, 05315-970 São Paulo, São Paulo (Brazil); Federal Institute of Education, Science and Technology of São Paulo - IFSP, 07115-000 Guarulhos, São Paulo (Brazil); Allegro, P. R. P.; Medina, N. H.; Oliveira, J. R. B.; Cybulska, E. W.; Seale, W. A.; Ribas, R. V. [Institute of Physics, University of São Paulo, C.P. 66318, 05315-970 São Paulo, São Paulo (Brazil); Linares, R. [Fluminense Federal University, 24220-900 Niterói, Rio de Janeiro (Brazil); Silveira, M. A. G. [Universitary Center of FEI, 09850-901 São Bernardo do Campo, São Paulo (Brazil)

    2014-07-15

    The Isomeric State Measurement System (SISMEI) was developed to search for isomeric nuclear states produced by fusion-evaporation reactions. The SISMEI consists of 10 plastic phoswich telescopes, two lead shields, one NaI(Tl) scintillation detector, two Compton suppressed HPGe γ-ray detectors, and a cone with a recoil product catcher. The new system was tested at the 8 UD Pelletron tandem accelerator of the University of São Paulo with the measurement of two known isomeric states: {sup 54}Fe, 10{sup +} state (E = 6527.1 (11) keV, T{sub 1/2} = 364(7) ns) and the 5/2{sup +} state of {sup 19}F (E = 197.143 (4) keV, T{sub 1/2} = 89.3 (10) ns). The results indicate that the system is capable of identifying delayed transitions, of measuring isomeric state lifetimes, and of identifying the feeding transitions of the isomeric state through the delayed γ-γ coincidence method. The measured half-life for the 10{sup +} state was T{sub 1/2} = 365(14) ns and for the 5/2{sup +} state, 100(36) ns.

  20. A system to measure isomeric state half-lives in the 10 ns to 10 μs range

    Science.gov (United States)

    Toufen, D. L.; Allegro, P. R. P.; Medina, N. H.; Oliveira, J. R. B.; Cybulska, E. W.; Seale, W. A.; Linares, R.; Silveira, M. A. G.; Ribas, R. V.

    2014-07-01

    The Isomeric State Measurement System (SISMEI) was developed to search for isomeric nuclear states produced by fusion-evaporation reactions. The SISMEI consists of 10 plastic phoswich telescopes, two lead shields, one NaI(Tl) scintillation detector, two Compton suppressed HPGe γ-ray detectors, and a cone with a recoil product catcher. The new system was tested at the 8 UD Pelletron tandem accelerator of the University of São Paulo with the measurement of two known isomeric states: 54Fe, 10+ state (E = 6527.1 (11) keV, T1/2 = 364(7) ns) and the 5/2+ state of 19F (E = 197.143 (4) keV, T1/2 = 89.3 (10) ns). The results indicate that the system is capable of identifying delayed transitions, of measuring isomeric state lifetimes, and of identifying the feeding transitions of the isomeric state through the delayed γ-γ coincidence method. The measured half-life for the 10+ state was T1/2 = 365(14) ns and for the 5/2+ state, 100(36) ns.

  1. Dipole-resonance assisted isomerization in the electronic ground state using few-cycle infrared pulses.

    Science.gov (United States)

    Skocek, Oliver; Uiberacker, Christoph; Jakubetz, Werner

    2011-06-30

    A computational investigation of HCN → HNC isomerization in the electronic ground state by one- and few-cycle infrared pulses is presented. Starting from a vibrationally pre-excited reagent state, isomerization yields of more than 50% are obtained using single one- to five-cycle pulses. The principal mechanism includes two steps of population transfer by dipole-resonance (DR), and hence, the success of the method is closely linked to the polarity of the system and, in particular, the stepwise change of the dipole moment from reactant to transition state and on to products. The yield drops massively if the diagonal dipole matrix elements are artificially set to zero. In detail, the mechanism includes DR-induced preparation of a delocalized vibrational wavepacket, which traverses the barrier region and is finally trapped in the product well by DR-dominated de-excitation. The excitation and de-excitation steps are triggered by pulse lobes of opposite field direction. As the number of optical cycles is increased, the leading field lobes prepare a vibrational superposition state by off-resonant ladder climbing, which is then subjected to the three steps of the principal isomerization mechanism. DR excitation is more efficient from a preformed vibrational wavepacket than from a molecular eigenstate. The entire process can be loosely described as Tannor-Kosloff-Rice type transfer mechanism on a single potential surface effected by a single pulse, individual field lobes assuming the roles of pump- and dump-pulses. Pre-excitation to a transient wavepacket can be enhanced by applying a separate, comparatively weak few-cycle prepulse, in which the prepulse prepares a vibrational wavepacket. The two-pulse setup corresponds to a double Tannor-Kosloff-Rice control scheme on a single potential surface.

  2. Magnetic dipole moments of High-K isomeric states in Hf isotopes

    CERN Multimedia

    Walters, W; Nishimura, K; Bingham, C R

    2007-01-01

    It is proposed to make precision measurements of the magnetic moments of 5 multi-quasi-particle K-isomers in Hf nuclei by the Nuclear Magnetic Resonance of Oriented Nuclei (NMR/ON) technique using the NICOLE on-line nuclear orientation facility and exploiting the unique HfF$_{3}$ beams recently available at ISOLDE. Results will be used to extract single-particle and collective g-factors of the isomeric states and their excitations and to shed new light on their structure.

  3. First observation of high spin states and isomeric decay in 210Fr

    International Nuclear Information System (INIS)

    Kanjilal, D.; Saha, S.; Bhattacharya, S.; Goswami, A.; Kshetri, R.; Raut, R.; Muralithar, S.; Singh, R. P.; Mukherjee, G.; Mukherjee, B.

    2011-01-01

    The first observation of the prompt and the delayed γ transitions involving the high spin states in 210 Fr is reported. The decay of the high spin states and the isomeric levels of 210 Fr, identified for the first time from the known sequence of low-lying transitions found earlier in the α decay of 214 Ac, were studied. High spin states of the doubly-odd 210 Fr, which were produced by the fusion evaporation reaction 197 Au ( 16 O, xn) 213-x Fr, were populated and the subsequent emitted γ rays were detected through the high-sensitivity germanium clover detector array INGA. The level scheme up to yrast levels of 5.3 MeV excitation energy and ∼20(ℎ/2π) angular momentum could be established for the first time through γγ, γγΔT coincidence, and DCO ratio measurements. A new low-lying isomeric transition at E γ = 203(2) keV was observed. The half-life was measured to be T 1/2 = 41(2) ns. The measured half-life was compared with the corresponding single-particle estimate, based on the level scheme obtained from the experiment.

  4. A VUV detection system for the direct photonic identification of the first excited isomeric state of "2"2"9Th

    International Nuclear Information System (INIS)

    Seiferle, B.; Von der Wense, L.; Thirolf, P.G.; Laatiaoui, M.

    2016-01-01

    With an expected energy of 7.6(5) eV, "2"2"9Th possesses the lowest excited nuclear state in the landscape of all presently known nuclei. The energy corresponds to a wavelength of about 160 nm and would conceptually allow for an optical laser excitation of a nuclear transition. We report on a VUV optical detection system that was designed for the direct detection of the isomeric ground-state transition of "2"2"9Th. "2"2"9"("m") Th ions originating from a "2"3"3U α-recoil source are collected on a micro electrode that is placed in the focus of an annular parabolic mirror. The latter is used to parallelize the UV fluorescence that may emerge from the isomeric ground-state transition of "2"2"9Th. The parallelized light is then focused by a second annular parabolic mirror onto a CsI-coated position-sensitive MCP detector behind the mirror exit. To achieve a high signal-to-background ratio, a small spot size on the MCP detector needs to be achieved. Besides extensive ray-tracing simulations of the optical setup, we present a procedure for its alignment, as well as test measurements using a D_2 lamp, where a focal-spot size of ∼100 μm has been achieved. Assuming a purely photonic decay, a signal-to-background ratio of ∼7000:1 could be achieved. (authors)

  5. Measurements of 14-MeV neutron cross-sections for the production of isomeric states in hafnium isotopes

    International Nuclear Information System (INIS)

    Patrick, B.H.; Sowerby, M.G.; Wilkins, C.G.; Russen, L.C.

    1990-01-01

    The cross sections for the production of isomeric states in the reactions 179 Hf(n,2n) 178m2 Hf, 180 Hf(n,2n) 179m2 Hf, 179 Hf(n,n') 179m2 Hf with 14 MeV neutrons have been measured and compared with the theoretical ones. 4 refs, 3 figs, 4 tabs

  6. The decay of 399 KeV isomeric state in 197Pt

    International Nuclear Information System (INIS)

    Soares, J.C.; Melo, A.A.; Gil, F.B.; Dias, H.

    1981-02-01

    The nuclear levels in 197 Pt have been studied from decay of 95.4 min 197 (sup m)Pt. The isomeric state was produced by (n,#betta#) reaction on the enriched 196 Pt. The #betta#-ray spectra have been observed with a hyperpure Ge detector and a large volume Ge(Li) detector. The half lives of the 399 KeV and the 53 KeV states were determined with improved precision. The results are: T1/2 (399 KeV) = 95.41 +- 0.18 min and T1/2(53 KeV) = 16.58 +- 0.17 ns. The g-factor of the 53 Kev 5/2 - state has been measured by the gamma-gamma time differential perturbed angular correlation (TDPAC) method in an external magnetic field of 25,1 kG using the 346 - 53 KeV gamma cascade. The value of g-factor was obtained to be + 0.335 +- 0.010. This result is compared with the known g-factors of the similar states in 195 Pt, and in 197 Hg and 199 Hg and also with the theoretical calculations based on the quasiparticle-phonon coupling scheme. Possibility of using the 346 - 53 KeV gamma cascade in 197 Pt in the future TDPAC studies is discussed. (Author) [pt

  7. Identification of levels above 6{sup -} isomeric state in {sup 66}Cu

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Purnima; Palit, R.; Biswas, S.; Saha, S. [Tata Institute of Fundamental Research, Department of Nuclear and Atomic Physics, Mumbai (India); Choudhury, D. [Horia Hulubei National Institute for Physics and Nuclear Engineering, ELI-NP, Magurele (Romania); Srivastava, P.C. [Indian Institute of Technology Roorkee, Department of Physics, Roorkee (India); Sethi, J. [Tata Institute of Fundamental Research, Department of Nuclear and Atomic Physics, Mumbai (India); University of Maryland, Department of Chemistry and Biochemistry, College Park, MD (United States)

    2017-04-15

    Excited states in odd-odd {sup 66}Cu were investigated in a reaction between a 136 MeV {sup 30}Si beam and a {sup 65}Cu target with the Indian National Gamma Array. Six new transitions have been identified including four transitions feeding the 600 ns 6{sup -} isomeric state from an investigation of prompt-prompt and prompt-delayed coincidence events. The results of the present work have extended the level structure of this nucleus up to I{sup π} = (9{sup -}). In addition, new information on the set of πp{sub 3/2}νg{sub 9/2} multiplets in this nucleus have been added. Shell model calculations were performed within the fpg{sub 9/2} and f{sub 5/2}pg{sub 9/2} model spaces. The results of shell model calculations using the fpg{sub 9/2} model space have been observed to be in better agreement with experimental excitation energies up to the highest spin observed. The results of the present work highlight the necessity of f{sub 7/2} proton holes to describe the positive as well as negative parity states in {sup 66}Cu. (orig.)

  8. Thermal solid-state Z/E isomerization of 2-alkylidene-4-oxothiazolidines: effects of non-covalent interactions

    Directory of Open Access Journals (Sweden)

    ZDRAVKO DŽAMBASKI

    2011-03-01

    Full Text Available Configurational isomerization of stereo-defined 5-substituted and unsubstituted 2-alkylidene-4-oxothiazolidines (1 in the solid state, giving the Z/E mixtures in various ratios, was investigated by 1H-NMR spectroscopy, X-ray powder crystallography and differential scanning calorimetry (DSC. The Z/E composition can be rationalized in terms of non-covalent interactions, involving intermolecular and intramolecular hydrogen bonding and directional non-bonded 1,5-type S×××O interactions. X-Ray powder crystallography, using selected crystalline (Z-4-oxothiazolidine substrates, revealed transformation to the amorphous state during the irreversible Z®E process. A correlation between previous results on the Z/E isomerization in solution and now in the solid state was established.

  9. Advances in gamma ray resonant scattering and absorption long-lived isomeric nuclear states

    CERN Document Server

    Davydov, Andrey V

    2015-01-01

    This book presents the basics and advanced topics of research of gamma ray physics. It describes measuring of  Fermi surfaces with gamma resonance spectroscopy and the theory of angular distributions of resonantly scattered gamma rays. The dependence of excited-nuclei average lifetime on the shape of the exciting-radiation spectrum and electron binding energies in the spectra of scattered gamma rays is described. Resonant excitation by gamma rays of nuclear isomeric states with long lifetime leads to the emission and absorption lines. In the book, a new gamma spectroscopic method, gravitational gamma spectrometry, is developed. It has a resolution hundred million times higher than the usual Mössbauer spectrometer. Another important topic of this book is resonant scattering of annihilation quanta by nuclei with excited states in connection with positron annihilation. The application of the methods described is to explain the phenomenon of Coulomb fragmentation of gamma-source molecules and resonant scatt...

  10. The introduction of hydrogen bond and hydrophobicity effects into the rotational isomeric states model for conformational analysis of unfolded peptides

    Science.gov (United States)

    Engin, Ozge; Sayar, Mehmet; Erman, Burak

    2009-03-01

    Relative contributions of local and non-local interactions to the unfolded conformations of peptides are examined by using the rotational isomeric states model which is a Markov model based on pairwise interactions of torsion angles. The isomeric states of a residue are well described by the Ramachandran map of backbone torsion angles. The statistical weight matrices for the states are determined by molecular dynamics simulations applied to monopeptides and dipeptides. Conformational properties of tripeptides formed from combinations of alanine, valine, tyrosine and tryptophan are investigated based on the Markov model. Comparison with molecular dynamics simulation results on these tripeptides identifies the sequence-distant long-range interactions that are missing in the Markov model. These are essentially the hydrogen bond and hydrophobic interactions that are obtained between the first and the third residue of a tripeptide. A systematic correction is proposed for incorporating these long-range interactions into the rotational isomeric states model. Preliminary results suggest that the Markov assumption can be improved significantly by renormalizing the statistical weight matrices to include the effects of the long-range correlations.

  11. The introduction of hydrogen bond and hydrophobicity effects into the rotational isomeric states model for conformational analysis of unfolded peptides

    International Nuclear Information System (INIS)

    Engin, Ozge; Sayar, Mehmet; Erman, Burak

    2009-01-01

    Relative contributions of local and non-local interactions to the unfolded conformations of peptides are examined by using the rotational isomeric states model which is a Markov model based on pairwise interactions of torsion angles. The isomeric states of a residue are well described by the Ramachandran map of backbone torsion angles. The statistical weight matrices for the states are determined by molecular dynamics simulations applied to monopeptides and dipeptides. Conformational properties of tripeptides formed from combinations of alanine, valine, tyrosine and tryptophan are investigated based on the Markov model. Comparison with molecular dynamics simulation results on these tripeptides identifies the sequence-distant long-range interactions that are missing in the Markov model. These are essentially the hydrogen bond and hydrophobic interactions that are obtained between the first and the third residue of a tripeptide. A systematic correction is proposed for incorporating these long-range interactions into the rotational isomeric states model. Preliminary results suggest that the Markov assumption can be improved significantly by renormalizing the statistical weight matrices to include the effects of the long-range correlations

  12. Investigating the large deformation of the 5 /2+ isomeric state in 73Zn: An indicator for triaxiality

    Science.gov (United States)

    Yang, X. F.; Tsunoda, Y.; Babcock, C.; Billowes, J.; Bissell, M. L.; Blaum, K.; Cheal, B.; Flanagan, K. T.; Garcia Ruiz, R. F.; Gins, W.; Gorges, C.; Grob, L. K.; Heylen, H.; Kaufmann, S.; Kowalska, M.; Krämer, J.; Malbrunot-Ettenauer, S.; Neugart, R.; Neyens, G.; Nörtershäuser, W.; Otsuka, T.; Papuga, J.; Sánchez, R.; Wraith, C.; Xie, L.; Yordanov, D. T.

    2018-04-01

    Recently reported nuclear spins and moments of neutron-rich Zn isotopes measured at ISOLDE-CERN [C. Wraith et al., Phys. Lett. B 771, 385 (2017), 10.1016/j.physletb.2017.05.085] show an uncommon behavior of the isomeric state in 73Zn. Additional details relating to the measurement and analysis of the Znm73 hyperfine structure are addressed here to further support its spin-parity assignment 5 /2+ and to estimate its half-life. A systematic investigation of this 5 /2+ isomer indicates that significant collectivity appears due to proton/neutron E 2 excitations across the proton Z = 28 and neutron N = 50 shell gaps. This is confirmed by the good agreement of the observed quadrupole moments with large scale Monte Carlo shell model calculations. In addition, potential energy surface calculations in combination with T plots reveal a triaxial shape for this isomeric state.

  13. Ensemble of Transition State Structures for the Cis-Trans Isomerization of N-Methylacetamide

    Energy Technology Data Exchange (ETDEWEB)

    Mantz, Yves A. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Branduardi, Davide [Italian Inst. of Technology, Genoa (Italy); Bussi, Giovanni [Univ. of Modena and Reggio Emilia and INFM-CNR (Italy); Parrinello, Michele [ETH Zurich, Lugano (Switzerland). Dept. of Chemistry and Applied Biosciences

    2009-09-17

    The cis-trans isomerization of N-methylacetamide (NMA), a model peptidic fragment, is studied theoretically in vacuo and in explicit water solvent at 300 K using the metadynamics technique. The computed cis-trans free energy difference is very similar for NMA(g) and NMA(aq), in agreement with experimental measurements of population ratios and theoretical studies at 0 K. By exploiting the flexibility in the definition of a pair of recently introduced collective variables (Branduardi, D.; Gervasio, F. L.; Parrinello, M. J. Chem. Phys. 2007, 126, 054103), an ensemble of transition state structures is generated at finite temperature for both NMA(g) and NMA(aq), as verified by computing committor distribution functions. Ensemble members of NMA(g) are shown to have correlated values of the backbone dihedral angle and a second dihedral angle involving the amide hydrogen atom. The dynamical character of these structures is preserved in the presence of solvent, whose influence on the committor functions can be modeled using effective friction/noise terms.

  14. Xylene isomerization

    KAUST Repository

    Bilaus, Rakan Sulaiman; Pinnau, Ingo

    2016-01-01

    at isomenzation conditions and producing an isomerized product comprising a higher proportion of p-xylene than in the feed mixture, wherein the catalyst comprises an acidic sulfonated catalytic membrane. Xylene isomenzation can also be coupled with a p

  15. Probing the Single-Particle Character of Rotational States in F 19 Using a Short-Lived Isomeric Beam

    Science.gov (United States)

    Santiago-Gonzalez, D.; Auranen, K.; Avila, M. L.; Ayangeakaa, A. D.; Back, B. B.; Bottoni, S.; Carpenter, M. P.; Chen, J.; Deibel, C. M.; Hood, A. A.; Hoffman, C. R.; Janssens, R. V. F.; Jiang, C. L.; Kay, B. P.; Kuvin, S. A.; Lauer, A.; Schiffer, J. P.; Sethi, J.; Talwar, R.; Wiedenhöver, I.; Winkelbauer, J.; Zhu, S.

    2018-03-01

    A beam containing a substantial component of both the Jπ=5+ , T1 /2=162 ns isomeric state of F 18 and its 1+, 109.77-min ground state is utilized to study members of the ground-state rotational band in F 19 through the neutron transfer reaction (d ,p ) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13 /2+ band-terminating state. The agreement between shell-model calculations using an interaction constructed within the s d shell, and our experimental results reinforces the idea of a single-particle-collective duality in the descriptions of the structure of atomic nuclei.

  16. High-spin μs isomeric states in 96 Ag

    International Nuclear Information System (INIS)

    Becerril, A. D.; Lorusso, G.; Amthor, A. M.; Brown, B. A.; Estrade, A.; Guess, C. J.; Hitt, G. W.; Meharchand, R.; Schatz, H.; Smith, K.; Zegers, R. G. T.; Baumann, T.; Bazin, D.; Ginter, T.; Hausmann, M.; Minamisono, K.; Portillo, M.; Stolz, A.; Berryman, J. S.; Crawford, H. L.

    2011-01-01

    The isomeric and β decays of the N=Z+2 nucleus 96 Ag were investigated at the National Superconducting Cyclotron Laboratory. A cascade of γ-ray transitions originating from the deexcitation of a microsecond isomer was observed for the first time and was found in coincidence with two previously known transitions with energies of 470 and 667 keV. The isomeric half-life was determined as 1.45(7) μs, more precise than previously reported. The existence of a second, longer-lived microsecond isomer, associated with a 743-keV γ transition, is also proposed here. Shell model results within the (p 3/2 p 1/2 f 5/2 g 9/2 ) model space, using the jj44b interaction, reproduced level energies and isomeric decay half-lives reasonably well.

  17. Changes in Atmospheric Butanes and Pentanes and Their Isomeric Ratios in the Continental United States

    Science.gov (United States)

    Rossabi, Sam; Helmig, Detlev

    2018-04-01

    Nonmethane hydrocarbons have been used as tracers in research on emissions and atmospheric oxidation chemistry. This research investigates source region mixing ratio trends of the nonmethane hydrocarbons i-butane, n-butane, i-pentane, and n-pentane, and the (i/n) isomeric ratios of these compounds between 2001 and 2015. Data collected at Photochemical Assessment Monitoring Stations, mandated by the U.S. Environmental Protection Agency in ozone nonattainment areas, and data collected at Global Greenhouse Gas Reference Network sites within the National Oceanic and Atmospheric Administration network, and analyzed at the Institute of Arctic and Alpine Research at the University of Colorado-Boulder, were examined. Among all considered species, linear regression analyses on concentration time series had negative slopes at 81% of sites, indicating predominantly declining butane and pentane atmospheric concentrations. Mostly negative slopes (78% of sites) were found for the (i/n) butane and pentane isomeric ratios, including all six and seven statistically significant (i/n) butane and pentane trends, respectively. Over the 15 year investigation period and averaged over all sites, total relative changes were 30 and 45% for the (i/n) ratios of butanes and pentanes, respectively, with a relative increase in the prominence of the n-isomers. Most likely causes include changing isomeric ratios in gasoline sector emissions, and increasing influence of oil and natural gas industry emissions. Changes in concentrations and isomeric ratios depend on proximity of contributing emission sources to measurement sites.

  18. Isomeric States in the Second and Third Well of the Potential and Long-Lived Superheavy Element

    International Nuclear Information System (INIS)

    Marinov, A.; Gelberg, S.; Kolb, D.

    1999-01-01

    Recently, in a study of the 16 O + 197 Au and 28 Si + 181 Ta reactions near and below the Coulomb barrier, long-lived high spin isomeric states have been found by us in the second and third well of the potential-energy surfaces. Such isomeric states have very unusual physical properties. In addition to their very long lifetimes, much longer than of their corresponding ground states, they have very unusual decay properties. They may decay by 5 to 7 orders of magnitude enhanced alpha particles, in transitions from the second or third well of the potential in the parent nuclei to the respective well in the daughters, or by very retarded alpha particles, in transitions from the second well in the parent nucleus to normal states in the daughter, or from the third well in the parent to the second well in the daughter. They also may decay by long-lived proton activities, in transitions from the second well in the parent nucleus to the normal states in the daughter. Experimental evidences for all these new phenomena will be presented in the conference. The existence of long-lived isomeric states in the second and third well of the potential is very important when the production of superheavy elements is considered. Because of the very much reduced extra-push energy needed for their production, they may be produced much easier than the normal states, in reactions between very heavy nuclei. In particular, the discovery of the long-lived superheavy element with Z = 112 can consistently be understood

  19. The role of dissociation channels of excited electronic states in quantum optimal control of ozone isomerization: A three-state dynamical model

    Energy Technology Data Exchange (ETDEWEB)

    Kurosaki, Yuzuru, E-mail: kurosaki.yuzuru@jaea.go.jp [Quantum Beam Science Directorate, Tokai Research and Development Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Ho, Tak-San, E-mail: tsho@Princeton.EDU [Department of Chemistry, Princeton University, Princeton, NJ 08544 (United States); Rabitz, Herschel, E-mail: hrabitz@Princeton.EDU [Department of Chemistry, Princeton University, Princeton, NJ 08544 (United States)

    2016-05-01

    The prospect of performing the open → cyclic ozone isomerization has attracted much research attention. Here we explore this consideration theoretically by performing quantum optimal control calculations to demonstrate the important role that excited-state dissociation channels could play in the isomerization transformation. In the calculations we use a three-state, one-dimensional dynamical model constructed from the lowest five {sup 1}A′ potential energy curves obtained with high-level ab initio calculations. Besides the laser field-dipole couplings between all three states, this model also includes the diabatic coupling between the two excited states at an avoided crossing leading to competing dissociation channels that can further hinder the isomerization process. The present three-state optimal control simulations examine two possible control pathways previously considered in a two-state model, and reveal that only one of the pathways is viable, achieving a robust ∼95% yield to the cyclic target in the three-state model. This work represents a step towards an ultimate model for the open → cyclic ozone transformation capable of giving adequate guidance about the necessary experimental control field resources as well as an estimate of the ro-vibronic spectral character of cyclic ozone as a basis for an appropriate probe of its formation.

  20. Half-lives of ground and isomeric states in {sup 97}Cd and the astrophysical origin of {sup 96}Ru

    Energy Technology Data Exchange (ETDEWEB)

    Lorusso, G., E-mail: lorusso@ribf.riken.j [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Becerril, A.; Amthor, A. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Baumann, T.; Bazin, D. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Berryman, J.S. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States); Brown, B.A. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States); Cyburt, R.H. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, MI 48824 (United States); Crawford, H.L. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States); Department of Chemistry, Michigan State University, East Lansing, MI 48824 (United States)

    2011-05-09

    First experimental evidence for a high-spin isomer (25/2{sup +}) in {sup 97}Cd, a waiting point in the astrophysical rapid proton capture process, is presented. The data were obtained in {beta}-decay studies at NSCL using the new RF Fragment Separator system and detecting {beta}-delayed protons and {beta}-delayed {gamma} rays. Decays from ground and isomeric states were disentangled, and proton emission branches were determined for the first time. We find half-lives of 1.10(8) s and 3.8(2) s, and {beta}-delayed proton emission branches of 12(2)% and 25(4)% were deduced for the ground and isomeric states, respectively. With these results, the nuclear data needed to determine an rp-process contribution to the unknown origin of solar {sup 96}Ru are in place. When the new data are included in astrophysical rp-process calculations, one finds that an rp-process origin of {sup 96}Ru is unlikely.

  1. Quantum optimal control pathways of ozone isomerization dynamics subject to competing dissociation: A two-state one-dimensional model

    International Nuclear Information System (INIS)

    Kurosaki, Yuzuru; Ho, Tak-San; Rabitz, Herschel

    2014-01-01

    We construct a two-state one-dimensional reaction-path model for ozone open → cyclic isomerization dynamics. The model is based on the intrinsic reaction coordinate connecting the cyclic and open isomers with the O 2 + O asymptote on the ground-state 1 A ′ potential energy surface obtained with the high-level ab initio method. Using this two-state model time-dependent wave packet optimal control simulations are carried out. Two possible pathways are identified along with their respective band-limited optimal control fields; for pathway 1 the wave packet initially associated with the open isomer is first pumped into a shallow well on the excited electronic state potential curve and then driven back to the ground electronic state to form the cyclic isomer, whereas for pathway 2 the corresponding wave packet is excited directly to the primary well of the excited state potential curve. The simulations reveal that the optimal field for pathway 1 produces a final yield of nearly 100% with substantially smaller intensity than that obtained in a previous study [Y. Kurosaki, M. Artamonov, T.-S. Ho, and H. Rabitz, J. Chem. Phys. 131, 044306 (2009)] using a single-state one-dimensional model. Pathway 2, due to its strong coupling to the dissociation channel, is less effective than pathway 1. The simulations also show that nonlinear field effects due to molecular polarizability and hyperpolarizability are small for pathway 1 but could become significant for pathway 2 because much higher field intensity is involved in the latter. The results suggest that a practical control may be feasible with the aid of a few lowly excited electronic states for ozone isomerization

  2. Isomeric Targets and Beams

    International Nuclear Information System (INIS)

    Oganesyan, Yu.Ts.; Karamyan, S.A.

    1994-01-01

    One of the main topics of modern nuclear physics is the investigation of exotic nuclei including hyper-nuclei, trans fermium elements, proton and neutron rich isotopes near drip lines as well as high-spin excited states and states with anomalous deformation. The isomerism of nuclei is closely related with such phenomena as the alignment of single-particle orbitals, the coexistence of various deformations and the manifestation of intruder-levels from neighbouring shells. The investigation of electromagnetic and nuclear interactions of isomers could give important information on their shell structure and its role in the mechanism of nuclear reactions. For such experiments one can either make isomeric targets (sufficiently long-lived) or use the methods of acceleration of isomeric nuclei. Recently, an exotic 16 + four-quasiparticle isomer of 178 Hf m 2 was produced in a micro weight quantity and the first nuclear reactions on it were successfully observed. The talk describes these experiments as well as new ideas for the continuation of the studies and some advantageous ways for the isomeric beams production by the method of direct acceleration or by the secondary beam method. 35 refs., 15 figs., 8 tabs

  3. Positron impact excitation (n = 2 states) of hydrogen at 20 eV

    Energy Technology Data Exchange (ETDEWEB)

    Kamali, M. Z. M.; Ratnavelu, K. [University of Malaya, Kuala Lumpur (Malaysia)

    2011-10-15

    The calculation of accurate differential cross sections (DCS) has always posed a litmus test for theoretical models. Among the positron-atom scattering systems, the positron-hydrogen (e{sup +}-H) atom system is the fundamental prototype. Thus, the present work utilizes 12- and 15-states coupled channel optical method (CCOM) calculations to study the DCS H(2s+2p) excitation, together with the angular correlation parameters ({lambda}(2p)), for the e{sup +}-H system at 20 eV, but up to now, there have been no measurements yet on the DCS for this system. A comparison is done with other theoretical and experimental works, including the electron case.

  4. Xylene isomerization

    KAUST Repository

    Bilaus, Rakan Sulaiman

    2016-06-23

    A process for producing xylenes, in particular para-xylene that is less energy intensive than conventional processes is provided. In an embodiment the process comprises contacting a feed mixture in an isomenzation zone with a catalyst at isomenzation conditions and producing an isomerized product comprising a higher proportion of p-xylene than in the feed mixture, wherein the catalyst comprises an acidic sulfonated catalytic membrane. Xylene isomenzation can also be coupled with a p-xylene extraction process, where the raffinate (p-xylene deprived stream) from the extraction process is fed to an isomenzation reactor to produce p-xylene. In an embodiment, the process can comprise: a) providing a feed stream comprising a mixture of xylene isomers including p-xylene; b) extracting p-xylene from the feed stream using a separator to separate the feed stream into a p-xylene rich stream and a p-xylene deprived stream; and c) delivering the p-xylene deprived stream to an isomenzation unit, the isomenzation unit including an acidic sulfonated catalytic membrane, and using the isomenzation unit to produce an isomerized product comprising a higher proportion of p-xylene than in the p-xylene deprived stream delivered to the isomenzation unit. In any one or more aspects, the isomenzation unit can be operated at a temperature in the range of less than 350°, for example about 20°C to about 200°C.

  5. Isomeric and high-spin states of 94Tc and the search for yrast isomers near N~50

    Science.gov (United States)

    Lee, I. Y.; Johnson, N. R.; McGowan, F. K.; Young, G. R.; Guidry, M. W.; Yates, S. W.

    1981-07-01

    A search for isomers in the N~50 region has produced no evidence of high-spin yrast isomerism. A new 4.5-ns low-multiplicity isomer has been identified and assigned to 94Tc, while the yrast sequence of 94Tc has been established to more than 5 MeV in excitation energy. [NUCLEAR REACTIONS 76Ge, 78Se(20Ne,xnypγ), E=80.9 MeV, 89Y, 93Nb(10B,xnypγ), E=52.0,58.4,62.8 MeV; measured Eγ, Iγ, γ-γ prompt and delayed coin, γ-X coin; deduced levels, t12 of 94Tc isomer, yrast states.

  6. Experimental grounds for nuclear shape isomerism

    International Nuclear Information System (INIS)

    Makarenko, V.E.

    1995-11-01

    Experimental data on fission isomeric states of actinide nuclei - half lives, energies, quantum numbers, decay branches and spectroscopic properties - are discussed. Quite a few results find their explanation in the framework of nuclear shape isomerism hypothesis being the in-thing for about thirty years. Others seem to be the hints to the quasiparticle nature of fission isomers. The problem could be solved by direct measurement of nuclear spin for isomeric states. (author). 44 refs, 1 tab

  7. Enumeration Verification System (EVS)

    Data.gov (United States)

    Social Security Administration — EVS is a batch application that processes for federal, state, local and foreign government agencies, private companies and internal SSA customers and systems. Each...

  8. Laser excitation of 8-eV electronic states in Th{sup +}. A first pillar of the electronic bridge toward excitation of the Th-229 nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Herrera-Sancho, Oscar-Andrey

    2012-11-23

    The possibility to realize a nuclear clock based on the optical magnetic dipole transition from the ground state to the low-energy isomeric state in the {sup 229}Th nucleus has motivated experiments and proposals toward highly accurate clocks with trapped ions and highly stable optical frequency standards with Th-doped solids. These systems hold great promise to open a field of research in the borderland between atomic and nuclear physics, which will enable highly sensitive tests of postulates from fundamental physics and also will allow us to coherently excite and control nuclear states, opening a wonderful and intriguing new field in physics. A major experimental obstacle that has to be overcome before any precision spectroscopy can be performed with this system is however the insufficient knowledge on the exact transition energy. The best experimental result so far is an indirect determination from {gamma}-spectroscopy with a relative uncertainty of about 6%. To facilitate the search for the nuclear transition within a wide uncertainty range around 8 eV, we investigate two-photon excitation in the dense electronic level structure of Th{sup +}, which enables the nuclear excitation via a resonantly enhanced inverse electronic bridge process. Experiments on one- and two-photon laser excitation of buffer gas cooled {sup 232}Th{sup +} ions in a radio-frequency ion trap are reported in this thesis. The strongest resonance line at 402 nm from the (6d{sup 2}7s)J=3/2 ground state to the (6d7s7p)J=5/2 state is driven as the first excitation step. Using nanosecond laser pulses in the 250-nm wavelength range for the second step of a two-photon excitation, we have observed seven previously unknown levels in the unexplored region of the electronic level structure around 8 eV. This investigation shows that the Th{sup +} ion seems to be well suited for the search of the isomer transition because both, theory and experimental results, agree on the density of strong transitions

  9. Study of the stability of the ground states and K-isomeric states of 250Fm and 254102 against spontaneous fission

    International Nuclear Information System (INIS)

    Lazarev, Yu.A.; Lobanov, Yu.V.; Sagajdak, R.N.; Utenkov, V.K.; Kharitonov, Yu.P.; Shirokovskij, I.V.; Tret'yakova, S.P.; Oganessyan, Yu.Ts.

    1988-01-01

    By employing the 249 Cf( 4 He, 3n) and 208 Pb( 48 Ca,2n) reactions, experiments to study the stability against spontaneous fission of the nuclides 250 Fm and 254 102 as well as of the two-quasi-particle (2 q-p) K isomers 250 Fm (T 1/2 =1,8±0,1 s) and 254 102 (T 1/2 =0,28±0,04 s) have been performed. The groundstate spontaneous fission of the two nuclides has been discovered and the corresponding branching ratios b sf and partial half-lives T sf , respectively, have been determined to be: (6,9±1,0)x10 -5 , 0,83±0,15 yr for 250 Fm; (1,7±0,5)x10 -3 , (3,2±0,9)x10 4 s for 254 102. As a by-product of these studies, new data about cross sections of the 206,208 Pb( 48 Ca,xn) reactions have been obtained. Experiments designed to search for the spontaneous fission of the 2 q-p K-isometric states in 250 Fm and 254 102 have not revealed the effect in question. The lower limits of the ratios of the partial spontaneous fission half-lives for the 2 q-p K-isomeric states to those for the respective ground states, T * sf /T sf , have been established to be≥10 -1 for 250m Fm/ 250 Fm and ≥5x10 -3 for 254m 102/ 254 102. This means that the stability of the 2 q-p K-isomeric states in 250 Fm and 254 102 against spontaneous fission is practically not inferior to that of the ground states of these nuclei. In accord with the experimental findings, the theoretical estimates of T * sf /T sf made in the present paper show that, due to the influence of the specialization and blocking effects on the potential energy and the effective mass associated with fission, spontaneous fission from 2 q-p K-isomeric states cannot be facilitated but, on the contrary, should be essentially hindered compared with ground-state spontaneous fission

  10. Experiments with neutron-rich isomeric beams

    International Nuclear Information System (INIS)

    Rykaczewski, K.; Lewitowicz, M.; Pfuetzner, M.

    1998-01-01

    A review of experimental results obtained on microsecond-isomeric states in neutron-rich nuclei produced in fragmentation reactions and studied with SISSI-Alpha-LISE3 spectrometer system at GANIL Caen is given. The perspectives of experiments based on secondary reactions with isomeric beams are presented

  11. Radioactive nuclide production and isomeric state branching ratios in P + W reactions to 200 mev

    International Nuclear Information System (INIS)

    Young, P.G.; Chadwick, M.B.

    1995-01-01

    Calculations of nuclide yields from spallation reactions usually assume that the products are formed in their ground states. We are performing calculations of product yields from proton reactions on tungsten isotopes that explicitly account for formation of the residual nuclei in excited states. The Hauser-Feshbach statistical/preequilibrium code GNASH, with full accounting for angular momentum conservation and electromagnetic transitions, is utilized in the calculations. We present preliminary results for isomer branching ratios for proton reactions to 200 MeV for several products including the 31-y, 16+ state in l78 Hf and the 25-d, 25/2- state in 179 Hf. Knowledge of such branching ratios, might be important for concepts such as accelerator production of tritium that utilize intermediate-energy proton reactions on tungsten

  12. Effect of Isomerization on Excited-State Dynamics of Carotenoid Fucoxanthin

    Czech Academy of Sciences Publication Activity Database

    Kuznetsova, V.; Chábera, P.; Litvín, Radek; Polívka, Tomáš; Fuciman, M.

    2017-01-01

    Roč. 121, č. 17 (2017), s. 4438-4447 ISSN 1520-6106 Institutional support: RVO:60077344 Keywords : charge-transfer state * light-harvesting complex * pump-probe spectroscopy * ultrafast dynamics Subject RIV: BO - Biophysics OBOR OECD: Biophysics Impact factor: 3.177, year: 2016

  13. g-factor of the 9/2+ isomeric state in 65Ni from transfer reaction

    International Nuclear Information System (INIS)

    Georgiev, G.; Matea, I.; Balabanski, D.L.; Daugas, J.M.; Meot, V.; Morel, P.; Oliveira Santos, F. de; Lewitowicz, M.; Franchoo, S.; Ibrahim, F.; Le Blanc, F.; Sorlin, O.; Stanoiu, M.; Verney, D.; Lo Bianco, G.; Saltarelli, A.; Lukyanov, S.; Penionzhkevich, Yu.E.; Neyens, G.; Vermeulen, N.; Yordanov, D.; Tarisien, M.

    2006-01-01

    We report a measurement of the g-factor of the I π =9/2 + , t 1/2 =22 ns isomer in 65 Ni. The state of interest was populated and spin-oriented using a single-neutron transfer on an enriched 64 Ni target. The value, which was obtained, g(9/2 + , 65m Ni)=-0.296(3) is well in agreement with the g-factors of the other 9/2 + states in the region and with large-basis shell model calculations. The known g-factor of the 9/2 + isomer in 63 Ni was used in order to verify the strength of the hyperfine field of Ni(Ni) at room temperature. (orig.)

  14. Observation of a γ-decaying millisecond isomeric state in 128Cd80

    Directory of Open Access Journals (Sweden)

    A. Jungclaus

    2017-09-01

    Full Text Available A new high-spin isomer in the neutron-rich nucleus 128Cd was populated in the projectile fission of a 238U beam at the Radioactive Isotope Beam Factory at RIKEN. A half-life of T1/2=6.3(8 ms was measured for the new state which was tentatively assigned a spin/parity of (15−. The experimental results are compared to shell model calculations performed using state-of-the-art realistic effective interactions and to the neighbouring nucleus 129Cd. In the present experiment no evidence was found for the decay of a 18+ E6 spin-trap isomer, based on the complete alignment of the two-neutron and two-proton holes in the 0h11/2 and the 0g9/2 orbit, respectively, which is predicted to exist by the shell model.

  15. Neutron knockout from 68,70Ni ground and isomeric states.

    Science.gov (United States)

    Recchia, F.; Weisshaar, D.; Gade, A.; Tostevin, J. A.; Janssens, R. V. F.; Albers, M.; Bader, V. M.; Baugher, T.; Bazin, D.; Berryman, J. S.; Brown, B. A.; Campbell, C. M.; Carpenter, M. P.; Chen, J.; Chiara, C. J.; Crawford, H. L.; Hoffman, C. R.; Kondev, F. G.; Korichi, A.; Langer, C.; Lauritsen, T.; Liddick, S. N.; Lunderberg, E.; Noji, S.; Prokop, C.; Stroberg, S. R.; Suchyta, S.; Wimmer, K.; Zhu, S.

    2018-02-01

    Neutron-rich isotopes are an important source of new information on nuclear physics. Specifically, the spin-isospin components in the nucleon-nucleon (NN) interaction, e.g., the proton-neutron tensor force, are expected to modify shell structure in exotic nuclei. These potential changes in the intrinsic shell structure are of fundamental interest. The study of the excitation energy of states corresponding to specific configurations in even-even isotopes, together with the single-particle character of the first excited states of odd-A, neutron-rich Ni isotopes, probes the evolution of the neutron orbitals around the Fermi surface as a function of the neutron number a step forward in the understanding of the region and the nature of the NN interaction at large N/Z ratios. In an experiment carried out at the National Superconducting Cyclotron Laboratory [1], new spectroscopic information was obtained for 68Ni and the distribution of single-particle strengths in 67,69Ni was characterized by means of single-neutron knockout from 68,70Ni secondary beams. The spectroscopic strengths, deduced from the measured partial cross sections to the individual states tagged by their de-exciting gamma rays, is used to identify and quantify configurations that involve neutron excitations across the N = 40 harmonic oscillator shell closure. The de-excitation γ rays were measured with the GRETINA tracking array [2]. The results challenge the validity of the most current shell-model Hamiltonians and effective interactions, highlighting shortcomings that cannot yet be explained. These results suggest that our understanding of the low-energy states in such nuclei is not complete and requires further investigation.

  16. Microwave assisted synthesis and solid-state characterization of lithocholyl amides of isomeric aminopyridines

    Czech Academy of Sciences Publication Activity Database

    Ahonen, K. V.; Lahtinen, M. K.; Valkonen, A. M.; Dračínský, Martin; Kolehmainen, E. T.

    2011-01-01

    Roč. 76, č. 3 (2011), s. 261-268 ISSN 0039-128X R&D Projects: GA AV ČR KJB400550903 Grant - others:AV ČR(CZ) M200380901; Academy of Finland(FI) 7127006; Academy of Finland(FI) 212588 Institutional research plan: CEZ:AV0Z40550506 Keywords : solid-state NMR * x-ray diffraction * litocholic acid Subject RIV: CC - Organic Chemistry Impact factor: 2.829, year: 2011

  17. Observation of a γ -decaying millisecond isomeric state in 128 Cd 80

    Energy Technology Data Exchange (ETDEWEB)

    Jungclaus, A.; Grawe, H.; Nishimura, S.; Doornenbal, P.; Lorusso, G.; Simpson, G. S.; Söderström, P. -A.; Sumikama, T.; Taprogge, J.; Xu, Z. Y.; Baba, H.; Browne, F.; Fukuda, N.; Gernhäuser, R.; Gey, G.; Inabe, N.; Isobe, T.; Jung, H. S.; Kameda, D.; Kim, G. D.; Kim, Y. -K.; Kojouharov, I.; Kubo, T.; Kurz, N.; Kwon, Y. K.; Li, Z.; Sakurai, H.; Schaffner, H.; Shimizu, Y.; Steiger, K.; Suzuki, H.; Takeda, H.; Vajta, Zs.; Watanabe, H.; Wu, J.; Yagi, A.; Yoshinaga, K.; Benzoni, G.; Bönig, S.; Chae, K. Y.; Coraggio, L.; Daugas, J. -M.; Drouet, F.; Gadea, A.; Gargano, A.; Ilieva, S.; Itaco, N.; Kondev, F. G.; Kröll, T.; Lane, G. J.; Montaner-Pizá, A.; Moschner, K.; Mücher, D.; Naqvi, F.; Niikura, M.; Nishibata, H.; Odahara, A.; Orlandi, R.; Patel, Z.; Podolyák, Zs.; Wendt, A.

    2017-09-01

    A new high-spin isomer in the neutron-rich nucleus 128Cd was populated in the projectile fission of a 238U beam at the Radioactive Isotope Beam Factory at RIKEN. A half-life of T1/2 = 6.3(8) ms was measured for the new state which was tentatively assigned a spin/parity of (15-). The experimental results are compared to shell model calculations performed using state-of-the-art realistic effective interactions and to the neighbouring nucleus 129Cd. In the present experiment no evidence was found for the decay of a 18+ E6 spin-trap isomer, based on the complete alignment of the two-neutron and two-proton holes in the 0h11/2 and the 0g9/2 orbit, respectively, which is predicted to exist by the shell model.

  18. Isomeric and high-spin states of 94Tc and the search for yrast isomers near Napprox.50

    International Nuclear Information System (INIS)

    Lee, I.Y.; Johnson, N.R.; McGowan, F.K.; Young, G.R.; Guidry, M.W.; Yates, S.W.

    1981-01-01

    A search for isomers in the Napprox.50 region has produced no evidence of high-spin yrast isomerism. A new 4.5-ns low-multiplicity isomer has been identified and assigned to 94 Tc, while the yrast sequence of 94 Tc has been established to more than 5 MeV in excitation energy

  19. Modeling of Electric Vehicles (EVs) for EV Grid Integration Study

    DEFF Research Database (Denmark)

    Wu, Qiuwei; Nielsen, Arne Hejde; Østergaard, Jacob

    2010-01-01

    In order to successfully integrate EVs into power systems, it is necessary to develop a detailed EV model considering both the EV users’ driving requirements and the battery charging and discharging characteristics. A generic EV model was proposed which takes into account charging and discharging...... characteristics of EV batteries, the driving distance per trip and the availability of EVs for charging and providing grid service. The charging and discharging characteristics of EV batteries were used to determine the upper and lower limits of the state of charge (SOC) of EV batteries and to calculate...... the charging and discharging power. The driving distance per trip and availability of EVs were used to reflect the driving requirements and to implement intelligent charging and discharging management....

  20. Measurements of lambda and chi parameters for excitation of the 21P state of helium at 80 eV

    International Nuclear Information System (INIS)

    Slevin, J.; Porter, H.Q.; Eminyan, M.; Defrance, A.; Vassilev, G.

    1980-01-01

    Electron-photon angular correlations have been measured for excitation of the 2 1 P state of helium at an incident energy of 80 eV over the range 10-115 0 of electron scattering angles. analysis of the data yields values for the alignment and orientation parameters lambda and |chi| which are in excellent agreement with data of Hollywood et al (J. Phys. B.; 12: 819 (1979)) but the data for lambda are in marked disagreement with the results of Steph and Golden (preprint. Univ. of Oklahoma (1979)) at electron scattering angles thetasub(c)> 70 0 . (author)

  1. Shape resonances and the excitation of helium autoionising states by electrons in the 57-66 eV region

    International Nuclear Information System (INIS)

    Burgt, P.J.M. van der; Eck, J. van; Heideman, H.G.M.

    1986-01-01

    Optical excitation functions of singly excited helium states are presented, measured by detecting the yield of emitted photons as a function of the incident electron energy from 56 to 66 eV. Many structures are observed, which are caused by negative-ion resonances and by the decay of autoionising states followed by post-collision interaction. Some of the structures are interpreted as being caused by hitherto unknown shape resonances lying very close to the thresholds of a particular class of autoionising states. As these shape resonances almost exclusively decay to their respective parent (autoionising) states, thereby considerably enhancing the threshold excitation cross sections of these states, they can only be observed via the PCI effect on the excitation functions of (higher lying) singly excited states. Using the recently introduced supermultiplet classification for doubly excited states a selection rule for the near-threshold excitation of doubly excited states by electron impact is deduced from the measurements. Only states with large probabilities in the Wannier region of configuration space (where the two electrons are at nearly equal distances and on opposite sides of the nucleus) are strongly excited. It is pointed out that these states are precisely the states that can support the above mentioned shape resonances at their thresholds. (author)

  2. Theoretical and experimental study of the relaxation of excited states of the DCM laser dye. Intra-molecular electron transfer and photo-isomerization. Solvent effects

    International Nuclear Information System (INIS)

    Marguet, Sylvie

    1992-01-01

    This research thesis reports the study of a styrenic laser dye, the 4-(dicyanomethylene)-2-methyl-6-[p-(dimethylamino) styryl]-4H-pyrane or DCM for the characterization of the first electronic states and of the influence of the solvent on efficiencies of different relaxation processes of the first excited state S1 of the DCM. Due to the presence of a combination of a donor group and acceptor group, this compound has interesting properties of intra-molecular charge transfer and of photo-isomerization which highly depend on solvent polarity. Two approaches have been adopted to study these complementary processes: an experimental approach (determination of rate constants of the different deactivation ways of the S1 state by measuring fluorescence quantum efficiencies, photo-isomerization quantum efficiencies, and fluorescence lifetimes of DCM in about twenty solvent of increasing polarity), and a computational approach (a CS-INDO-MRI type quantum chemistry calculation to obtain potential energy curves, charge distributions, and dipolar moments of DCM first electronic states) [fr

  3. Alignment and orientation parameters for excitation of the ground state of helium to the 21P state by 81 eV electrons

    International Nuclear Information System (INIS)

    Fon, W.C.; Berrington, K.A.; Kingston, A.E.

    1979-01-01

    Five-state R-matrix calculations are used to calculate the differential cross sections, lambda, chi, Asub(2+)sup(col), Asub(1+)sup(col), Asub(2+)sup(col), /0sub(1-)sup(col)/ and theta sub(min) for electron excitation of the 1 1 S to 2 1 P state of helium at 81 eV. The results are compared with recent experimental results of Hollywood, Crowe and Williams (J. Phys. B.; 12: 819 (1979)). (author)

  4. Electron-photon angular correlation measurements for excitation of the 2P state of hydrogen at 55 and 100 eV

    International Nuclear Information System (INIS)

    Slevin, J.; Eminyan, M.; Woolsey, J.M.; Vassilev, G.; Porter, H.Q.

    1980-01-01

    Electron-photon angular correlations have been measured for excitation of the 2P state of hydrogen at incident energies of 55 and 100 eV. The data presented extend the results of Weigold and co-workers (Flinders Univ. preprint (1980)) to smaller scattering angles and reveal the existence of a deep minimum in the parameter lambda thetasub(e) = 10 0 at and incident electron energy of 100 eV. (author)

  5. Variations of structures and solid-state conductivity of isomeric silver(I) coordination polymers having linear and V-shaped thiophene-centered ditriazole ligands

    International Nuclear Information System (INIS)

    Hu, Bin; Geng, Jiao; Zhang, Lie; Huang, Wei

    2014-01-01

    A pair of new linear and V-shaped acceptor–donor–acceptor (A−D−A) thiophene-centered ditriazole structural isomers, i.e., 2,5-di(1H-1,2,4-triazol-1-yl)thiophene (L 1 ) and 3,4-di(1H-1,2,4-triazol-1-yl)thiophene (L 2 ), has been synthesized and characterized. They are used as μ 2 -bridging ligands to prepare a pair of silver(I) coordination polymers formulated as [Ag(L 1 )(NO 3 )] n (1) and [Ag(L 2 )(NO 3 )] n (2), which are also structural isomers at the supramolecular level. X-ray single-crystal diffraction analyses for 1 and 2 reveal that they exhibit the same one-dimensional (1D) coordination polymers but different structural architectures because of the distinguishable shape and configuration of isomeric ligands (L 1 and L 2 ) and the alterations of the coordination numbers. More interestingly, compared with the free ligands, 1D silver(I) polymeric isomers 1 and 2 show significant enhancement of solid-state conductivity to different extents (1.42×10 4 and 2.17×10 3 times), where 6.96 times' enhancement of solid-state conductivity from 1 to 2 has been observed. The formation of Ag–N coordinative bonds and the configurational discrepancy of L 1 and L 2 are believed to play important roles in facilitating the electron transport between molecules, which can also be supported by Density Function Theory calculations of their band gaps. - Graphical abstract: A pair of linear and V-shaped isomeric thiophene-centered ditriazole ligands (L 1 ) and L 2 are used to prepare a pair of silver(I) polymeric isomers (1 and 2), where significant enhancement of solid-state conductivity to different extents are observed originating from the distinguishable shape and configuration of isomeric ligands. - Highlights: • A pair of linear and V-shaped thiophene-centered ditriazole structural isomers is prepared. • They are used as µ 2 -bridging ligands to prepare a pair of silver(I) polymeric isomers. • Significant enhancement of solid-state conductivity is observed

  6. CP/MAS 13C NMR characterization of the isomeric states and intermolecular packing in tris(8-hydroxyquinoline) aluminum(III) (Alq3).

    Science.gov (United States)

    Kaji, Hironori; Kusaka, Yasunari; Onoyama, Goro; Horii, Fumitaka

    2006-04-05

    The isomeric states and intermolecular packing of tris(8-hydroxyquinoline) aluminum(III) (Alq(3)) in the alpha-, gamma-, and delta-crystalline forms and in the amorphous state, which are important for understanding the light-emitting and electron-transport properties, have been analyzed by CP/MAS (13)C NMR. This simple NMR experiment shows that the isomeric state of alpha- and amorphous Alq(3) is meridional, whereas that of gamma- and delta-Alq(3) is facial. In the amorphous Alq(3), the inclusion of facial isomers has been under debate. Our experiments show that meridional isomers are dominant in the amorphous Alq(3), although the existence of facial isomers cannot be completely denied. The local structure of amorphous Alq(3) is similar to that of alpha-Alq(3) and is significantly different from those of gamma- and delta-Alq(3). Among these Alq(3) samples, the effect of intermolecular interaction is not found only for gamma-Alq(3). This finding can explain the good solvent solubility of gamma-Alq(3), compared with the other crystalline forms. It is also shown that the structures are locally disordered not only for amorphous Alq(3) but also for alpha-Alq(3), although clear X-ray diffraction peaks are observed for alpha-Alq(3). In contrast, the local structures of gamma- and delta-Alq(3) are well defined. A clear relation is found between the spectral patterns of CP/MAS (13)C NMR and the fluorescence wavelengths; the samples, which consist of facial isomers, show blue-shifted fluorescence compared with those of meridionals.

  7. Isomers chart; Table des isomeres

    Energy Technology Data Exchange (ETDEWEB)

    Dupont-Gautier, P; Chantelot, S; Moisson, N [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-07-01

    The nuclear isomers are nuclides offering the same mass number and the same atomic number, but different energy levels. In the following chart the zero energy ground states are omitted and the metastable isomers, i.e. of non-zero energy, known and of measurable lifetime, are listed. The lower limit of this lifetime was set here to 0.1 x 10{sup -6} s. The various isomers were classified in increasing lifetimes. (authors) [French] Les isomeres nucleaires sont des nucleides presentant le meme nombre de masse et le meme numero atomique, mais des niveaux energetiques differents. Dans la table suivante, on a neglige les etats fondamentaux d'energie nulle et on a recense les isomeres metastables, c'est-a-dire d'energie non nulle, connus et de periode mesurable. La limite inferieure de cette periode a ete fixee ici a 0,1 x 10{sup -6} s. Les differents isomeres ont ete classes par periodes croissantes. (auteurs)

  8. Isomers chart; Table des isomeres

    Energy Technology Data Exchange (ETDEWEB)

    Dupont-Gautier, P.; Chantelot, S.; Moisson, N. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-07-01

    The nuclear isomers are nuclides offering the same mass number and the same atomic number, but different energy levels. In the following chart the zero energy ground states are omitted and the metastable isomers, i.e. of non-zero energy, known and of measurable lifetime, are listed. The lower limit of this lifetime was set here to 0.1 x 10{sup -6} s. The various isomers were classified in increasing lifetimes. (authors) [French] Les isomeres nucleaires sont des nucleides presentant le meme nombre de masse et le meme numero atomique, mais des niveaux energetiques differents. Dans la table suivante, on a neglige les etats fondamentaux d'energie nulle et on a recense les isomeres metastables, c'est-a-dire d'energie non nulle, connus et de periode mesurable. La limite inferieure de cette periode a ete fixee ici a 0,1 x 10{sup -6} s. Les differents isomeres ont ete classes par periodes croissantes. (auteurs)

  9. The state as a refugee. Pt. 2. The long way from DIN 4108 to EnEV; Der Staat als Getriebener. T. 2. Der lange Weg von der DIN 4108 bis zur EnEV

    Energy Technology Data Exchange (ETDEWEB)

    Eicke-Hennig, Werner [Institut Wohnen und Umwelt, Darmstadt (Germany)

    2011-01-15

    The 1980ies and 1990ies were the time of fruitful energy discussions. Low-energy buildings and passive houses were defined. Clear standards of consumption were set and heat balance programs were developed. This was performed outside of Federal Ministries and universities. This was conceived by pioneers and small institutions, promoted by some Federal States, motivated and supported by an increasing environmental movement. In the 1990ies, everything pushed to an introduction of the low energy standard. However, the WSVO novella 1995 (WVO - Ordinance on Heat Insulation of Buildings) and the introduction of the Energy Saving Ordinance in 2002 (EnEV 2002) missed this target considerably.

  10. Electron impact excitation of helium: A ploarization correlation study of the 31P state at 40 eV incident energy

    International Nuclear Information System (INIS)

    Harris, C.L.; Dorio, L.A.; Neill, P.A.

    1996-01-01

    Recently the Convergent Close-Coupling calculations, (CCC), of Fursa and Bray have been very successful predicting the behavior of the electron impact coherence parameters (EICP) for electron impact excitation of helium. In the present experimental study the linear Stokes parameters P 1 and P 2 have been measured for He(3 1 P) excitation using the polarization correlation technique. Data will be presented for electron impact energies of 40eV and 50eV. At present no other experimental data is available at 40eV. At 50eV angular correlation data measured using the VUV 3 1 P-1 1 S photons are available only out to a maximum electron scattering angle of 85 degrees. Due to the disadvantageous differential cross section and 40:1 branching ratio in favor of the VUV decay, the uncertainties in the present data are large. However, at selected electron scattering angles they are sufficient to distinguish the lack of convergence of the CCC predictions for the 69 state calculations (CCC69) in comparison with the 75 state model (CCC75). In particular at 50 eV incident electron energy and 120 degrees scattering angle the charge cloud alignment angles predicted by the two calculations differ by 90 degrees

  11. Reduced dimension rovibrational variational calculations of the S{sub 1} state of C{sub 2}H{sub 2}. II. The S{sub 1} rovibrational manifold and the effects of isomerization

    Energy Technology Data Exchange (ETDEWEB)

    Changala, P. Bryan, E-mail: bryan.changala@colorado.edu; Baraban, Joshua H.; Field, Robert W. [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Stanton, John F. [Department of Chemistry and Biochemistry, Institute for Theoretical Chemistry, The University of Texas at Austin, Austin, Texas 78712 (United States); Merer, Anthony J. [Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan and Department of Chemistry, University of British Columbia, Vancouver, British Columbia V6T 1Z1 (Canada)

    2014-01-14

    Reduced dimension variational calculations have been performed for the rovibrational level structure of the S{sub 1} state of acetylene. The state exhibits an unusually complicated level structure, for various reasons. First, the potential energy surface has two accessible conformers, trans and cis. The cis conformer lies about 2700 cm{sup −1} above the trans, and the barrier to cis-trans isomerization lies about 5000 cm{sup −1} above the trans minimum. The trans vibrations ν{sub 4} (torsion) and ν{sub 6} (asym. bend) interact very strongly by Darling-Dennison and Coriolis resonances, such that their combination levels and overtones form polyads with unexpected structures. Both conformers exhibit very large x{sub 36} cross-anharmonicity since the pathway to isomerization is a combination of ν{sub 6} and ν{sub 3} (sym. bend). Near the isomerization barrier, the vibrational levels show an even-odd K-staggering of their rotational levels as a result of quantum mechanical tunneling through the barrier. The present calculations address all of these complications, and reproduce the observed K-structures of the bending and C–C stretching levels with good qualitative accuracy. It is expected that they will assist with the assignment of the irregular patterns near the isomerization barrier.

  12. Differential cross sections for elastic and inelastic n=2 excitation of ground-state helium at 29.6 and 40.1 eV

    International Nuclear Information System (INIS)

    Brunger, M.J.

    1989-11-01

    Differential cross sections have been measured for elastic and inelastic scattering of electrons by ground-state helium at 29.6 and 40.1eV. The normalisation of the cross sections is discussed. Theoretical cross sections have been obtained using a 10-state coupled-channels-optical calculation. In general, there is good agreement between theory and experiment for singlet states but not for triplet. 20 refs., 5 tabs., 6 figs

  13. Seep Detection using E/V Nautilus Integrated Seafloor Mapping and Remotely Operated Vehicles on the United States West Coast

    Science.gov (United States)

    Gee, L. J.; Raineault, N.; Kane, R.; Saunders, M.; Heffron, E.; Embley, R. W.; Merle, S. G.

    2017-12-01

    Exploration Vessel (E/V) Nautilus has been mapping the seafloor off the west coast of the United States, from Washington to California, for the past three years with a Kongsberg EM302 multibeam sonar. This system simultaneously collects bathymetry, seafloor and water column backscatter data, allowing an integrated approach to mapping to more completely characterize a region, and has identified over 1,000 seafloor seeps. Hydrographic multibeam sonars like the EM302 were designed for mapping the bathymetry. It is only in the last decade that major mapping projects included an integrated approach that utilizes the seabed and water column backscatter information in addition to the bathymetry. Nautilus mapping in the Eastern Pacific over the past three years has included a number of seep-specific expeditions, and utilized and adapted the preliminary mapping guidelines that have emerged from research. The likelihood of seep detection is affected by many factors: the environment: seabed geomorphology, surficial sediment, seep location/depth, regional oceanography and biology, the nature of the seeps themselves: size variation, varying flux, depth, and transience, the detection system: design of hydrographic multibeam sonars limits use for water column detection, the platform: variations in the vessel and operations such as noise, speed, and swath overlap. Nautilus integrated seafloor mapping provided multiple indicators of seep locations, but it remains difficult to assess the probability of seep detection. Even when seeps were detected, they have not always been located during ROV dives. However, the presence of associated features (methane hydrate and bacterial mats) serve as evidence of potential seep activity and reinforce the transient nature of the seeps. Not detecting a seep in the water column data does not necessarily indicate that there is not a seep at a given location, but with multiple passes over an area and by the use of other contextual data, an area may

  14. Strongly Enhanced Low Energy Alpha-Particle Decay in Heavy Actinide Nuclei and Long-Lived Superdeformed and Hyperdeformed Isomeric States

    CERN Document Server

    Marinov, Amnon; Kolb, D.; Weil, J.L.

    2001-01-01

    Relatively low energy and very enhanced alpha-particle groups have been observed in various actinide fractions produced via secondary reactions in a CERN W target which had been irradiated with 24-GeV protons. In particular, 5.14, 5.27 and 5.53 MeV alpha-particle groups with corresponding half-lives of 3.8(+ -)1.0 y, 625(+ -)84 d and 26(+ -)7 d, have been seen in Bk, Es and Lr-No sources, respectively. The measured energies are a few MeV lower than the known g.s. to g.s. alpha-decays in the corresponding neutron-deficient actinide nuclei. The half-lives are 4 to 7 orders of magnitude shorter than expected from the systematics of alpha-particle decay in this region of nuclei. The deduced evaporation residue cross sections are in the mb region, about 4 orders of magnitude higher than expected. A consistent interpretation of the data is given in terms of production of long-lived isomeric states in the second and third wells of the potential-energy surfaces of the parent nuclei, which decay to the corresponding w...

  15. Cross sections measurement of isomeric states formation in nuclear reactions induced by neutrons of 14 Mev and comparison with statistical theories

    International Nuclear Information System (INIS)

    El Bardouni, T.

    1989-01-01

    Excitation functions of some (n,2n), (n,p) and (n,alpha) reactions on isotopes taken in different mass regions have been measured around 14 Mev. We give more interest to reactions leading to residual nucleus in isomeric states. Quasi-monoenergetic neutrons are produced via the T(d,n)alpha reaction and activation technique is combined to high resolution gamma-ray spectrometry. In the measurement of samples activities, we have scanned carefully the different origins of uncertainties and taken into account all necessary corrections. We have also carried out a detailed study about the nuclear reactions theory (compound nucleus and Geometry Dependent Hybrid Models) in order to compare our measurements results and theoretical calculations. The EMPIRE code (based on compound nucleus and Geometry Dependent Hybrid Models), that we have adapted on IBM Personal Computer, allows us to reproduce with great satisfaction the measured excitation functions without adjusting the models parameters. So we can rely on the EMPIRE code, as it is done in its work, in the prediction of some nuclear reactions excitation functions that cannot be determined by means of activation technique and gamma-ray spectrometry. 88 refs., 43 figs., 16 tabs., 1 chart. (author)

  16. Interaction of slow neutrons with the second isomeric level Kπ=16+ of the 178Hf isotope

    International Nuclear Information System (INIS)

    Pangault, Laurence

    1999-01-01

    In this work, we study the interaction of low energy neutrons (E≤ 10 eV) with the second isomeric level of 178 Hf (l π =K π =16 + , T 1/2 =31 y) in (n,γ) reactions which proceed through the formation of a compound nucleus. The radiative decay of high K states in 179 Hf is investigated using an isomeric I π =16 + 178 Hf target, 40 ng in weight. The first experiment, performed at the high flux reactor in the Laue Langevin Institute in Grenoble, consisted in γ-ray spectroscopy measurements. For this purpose, an experimental set-up has been built. lt consists of four large Ge detectors shielded against background using a specific F 6 Li collimations ensemble. The second experiments performed at the Fakel (Kurchatov lnstitute, Moscow) and Gelina (IRMM Geel, Belgium) linear accelerators consisted in the investigation of neutron resonances in the 178 Hf m2 (n,γ) reaction using time of flight technique and their γ-decay paths. A high efficiency spectrometer has been built and used for the measurements at bath sites. Two resonances located at 1.82 eV and 0.75 eV have been observed and unambiguously assigned to the (n+ 178 Hf m2 ) compound system. The γ-decay properties of these resonances are very different. Furthermore, the γ-decay path followed by the 0.75 eV resonance is at odd with that expected form statistical model predictions. (author) [fr

  17. Thermal Neutron Capture and Thermal Neutron Burn-up of K isomeric state of 177mLu: a way to the Neutron Super-Elastic Scattering cross section

    International Nuclear Information System (INIS)

    Roig, O.; Belier, G.; Meot, V.; Daugas, J.-M.; Romain, P.; Aupiais, J.; Jutier, Ch.; Le Petit, G.; Letourneau, A.; Marie, F.; Veyssiere, Ch.

    2006-01-01

    Thermal neutron radiative capture and burn-up measurements of the K isomeric state in 177Lu form part of an original method to indirectly obtain the neutron super-elastic scattering cross section at thermal energy. Neutron super-elastic scattering, also called neutron inelastic acceleration, occurs during the neutron collisions with an excited nuclear level. In this reaction, the nucleus could partly transfer its excitation energy to the scattered neutron

  18. Iodine-Catalyzed Isomerization of Dimethyl Muconate

    Energy Technology Data Exchange (ETDEWEB)

    Settle, Amy E [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Berstis, Laura R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Zhang, Shuting [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Rorrer, Nicholas [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Hu, Haiming [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Richards, Ryan [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Beckham, Gregg T [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Crowley, Michael F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Vardon, Derek R [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2018-04-12

    cis,cis-Muconic acid is a platform biobased chemical that can be upgraded to drop-in commodity and novel monomers. Among the possible drop-in products, dimethyl terephthalate can be synthesized via esterification, isomerization, Diels-Alder cycloaddition, and dehydrogenation. The isomerization of cis,cis-dimethyl muconate (ccDMM) to the trans,trans-form (ttDMM) can be catalyzed by iodine; however, studies have yet to address (i) the mechanism and reaction barriers unique to DMM, and (ii) the influence of solvent, potential for catalyst recycle, and recovery of high-purity ttDMM. To address this gap, we apply a joint computational and experimental approach to investigate iodine-catalyzed isomerization of DMM. Density functional theory calculations identified unique regiochemical considerations due to the large number of halogen-diene coordination schemes. Both transition state theory and experiments estimate significant barrier reductions with photodissociated iodine. Solvent selection was critical for rapid kinetics, likely due to solvent complexation with iodine. Under select conditions, ttDMM yields of 95% were achieved in <1 h with methanol, followed by high purity recovery (>98%) with crystallization. Lastly, post-reaction iodine can be recovered and recycled with minimal loss of activity. Overall, these findings provide new insight into the mechanism and conditions necessary for DMM isomerization with iodine to advance the state-of-the-art for biobased chemicals.

  19. Identification of ensuremath J^{π = 19/2^+} and ensuremath 23/2^+ isomeric states in 127Sb

    Science.gov (United States)

    Watanabe, H.; Lane, G. J.; Dracoulis, G. D.; Byrne, A. P.; Nieminen, P.; Kondev, F. G.; Ogawa, K.; Carpenter, M. P.; Janssens, R. V. F.; Lauritsen, T.; Seweryniak, D.; Zhu, S.; Chowdhury, P.

    2009-11-01

    The nucleus ensuremath ^{127Sb} , which is on the neutron-rich periphery of the ensuremath β -stability region, has been populated in complex nuclear reactions involving deep-inelastic and fusion-fission processes with ensuremath {^{136}Xe} beams incident on thick targets. The previously known isomer at 2325 keV in ensuremath {^{127}Sb} has been assigned spin and parity ensuremath 23/2^+ , based on the measured ensuremath γ - ensuremath γ angular correlations and total internal conversion coefficients. The half-life has been determined to be 234(12) ns, somewhat longer than the value reported previously. The 2194 keV state has been assigned ensuremath J^{π} = 19/2^+ and identified as an isomer with ensuremath T_{1/2} = 14(1) ns , decaying by two ensuremath E2 branches. The observed level energies and transition strengths are compared with the predictions of a shell model calculation. Two ensuremath 15/2^+ states have been identified close in energy, and their properties are discussed in terms of mixing between vibrational and three-quasiparticle configurations.

  20. Alignment and orientation of the 21P state of helium by electron impact at 29.6 and 51.2 eV

    International Nuclear Information System (INIS)

    McAdams, R.; Hollywood, M.T.; Crowe, A.; Williams, J.F.

    1980-01-01

    The electron-photon coincidence technique has been used to deduce the lambda and chi parameters for excitation of the 2 1 P state of helium by electron impact at 29.6 and 51.2 eV incident energies and for electron scattering angles in the range 15 to 130 0 . The lambda parameter shows a minimum at small and large scattering angles. When combined with the data of Hollywood et al (J. Phys. B.; 12:819 (1979)) at 81.2 eV, it can be seen that as the incident energy decreases, the depth of the low-angle minimum decreases and its position moves to larger scattering angles. In contrast, the depth of the second minimum increases with decreasing incident electron energy. The experimental values of lambda and chi are compared with values predicted from the first Born approximation, a distorted-wave polarised-orbital approximation, a first-order many-body theory and an R-matrix theory. None of the theoretical values is in agreement with the measured data although the R-matrix calculation gives a reasonable indication of the features of both lambda and chi at 29.6 eV. (author)

  1. Molecular Switch for Sub-Diffraction Laser Lithography by Photoenol Intermediate-State Cis-Trans Isomerization.

    Science.gov (United States)

    Mueller, Patrick; Zieger, Markus M; Richter, Benjamin; Quick, Alexander S; Fischer, Joachim; Mueller, Jonathan B; Zhou, Lu; Nienhaus, Gerd Ulrich; Bastmeyer, Martin; Barner-Kowollik, Christopher; Wegener, Martin

    2017-06-27

    Recent developments in stimulated-emission depletion (STED) microscopy have led to a step change in the achievable resolution and allowed breaking the diffraction limit by large factors. The core principle is based on a reversible molecular switch, allowing for light-triggered activation and deactivation in combination with a laser focus that incorporates a point or line of zero intensity. In the past years, the concept has been transferred from microscopy to maskless laser lithography, namely direct laser writing (DLW), in order to overcome the diffraction limit for optical lithography. Herein, we propose and experimentally introduce a system that realizes such a molecular switch for lithography. Specifically, the population of intermediate-state photoenol isomers of α-methyl benzaldehydes generated by two-photon absorption at 700 nm fundamental wavelength can be reversibly depleted by simultaneous irradiation at 440 nm, suppressing the subsequent Diels-Alder cycloaddition reaction which constitutes the chemical core of the writing process. We demonstrate the potential of the proposed mechanism for STED-inspired DLW by covalently functionalizing the surface of glass substrates via the photoenol-driven STED-inspired process exploiting reversible photoenol activation with a polymerization initiator. Subsequently, macromolecules are grown from the functionalized areas and the spatially coded glass slides are characterized by atomic-force microscopy. Our approach allows lines with a full-width-at-half-maximum of down to 60 nm and line gratings with a lateral resolution of 100 nm to be written, both surpassing the diffraction limit.

  2. Determination of the quadrupole moment of the fission-isomeric state in 238U by a modified charge-plunger method

    International Nuclear Information System (INIS)

    Pedersen, J.; Goerlach, U.; Habs, D.; Just, M.; Metag, V.; Mosler, E.; Schukraft, J.; Singer, P.; Specht, H.J.; Ulfert, G.

    1978-01-01

    A modified version of the charge plunger method has been developed which, by utilizing electrostatic fields, renders possible the separation of low- and high-charge recoil ions over short flight distances. With this technique the quadrupole moment of the 200 ns fission isomer in 238 U has been determined to be (29 +- 3) b. The corresponding deformation of c/a = (1.8 +- 0.1) provides another quantitative proof for shape isomerism in the actinide region. (orig.) [de

  3. Heat Capacity and Thermal Conductance Measurements of a Superconducting-Normal Mixed State by Detection of Single 3 eV Photons in a Magnetic Penetration Thermometer

    Science.gov (United States)

    Stevenson, T. R.; Balvin, M. A.; Bandler, S. R.; Denis, K. L.; Lee, S.-J.; Nagler, P. C.; Smith, S. J.

    2015-01-01

    We report on measurements of the detected signal pulses in a molybdenum-gold Magnetic Penetration Thermometer (MPT) in response to absorption of one or more 3 eV photons. We designed and used this MPT sensor for x-ray microcalorimetry. In this device, the diamagnetic response of a superconducting MoAu bilayer is used to sense temperature changes in response to absorbed photons, and responsivity is enhanced by a Meissner transition in which the magnetic flux penetrating the sensor changes rapidly to minimize free energy in a mixed superconducting normal state. We have previously reported on use of our MPT to study a thermal phonon energy loss to the substrate when absorbing x-rays. We now describe results of extracting heat capacity C and thermal conductance G values from pulse height and decay time of MPT pulses generated by 3 eV photons. The variation in C and G at temperatures near the Meissner transition temperature (set by an internal magnetic bias field) allow us to probe the behavior in superconducting normal mixed state of the condensation energy and the electron cooling power resulting from quasi-particle recombination and phonon emission. The information gained on electron cooling power is also relevant to the operation of other superconducting detectors, such as Microwave Kinetic Inductance Detectors.

  4. Ground-state and isomeric-state cross sections for the {sup 138}Ce(n,2n){sup 137}Ce reaction from its threshold to 20 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Junhua [Hexi Univ., Zhangye (China). Inst. of Theoretical Physics; Hexi Univ., Zhangye (China). School of Physics and Electromechanical Engineering; An, Li; Jiang, Li [Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Nuclear Physics and Chemistry

    2015-07-01

    The cross sections of the {sup 138}Ce(n,2n){sup 137}Ce reactions and their isomeric cross section ratios σ{sub m}/σ{sub g} were measured at three neutron energies between 13.5 and 14.8 MeV using the activation technique. CeO{sub 2} samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The monoenergetic neutron beams were formed via the {sup 3}H(d,n){sup 4}He reaction. The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The pure cross section of the ground-state was derived from the absolute cross section of the metastable state and the residual nuclear decay analysis. The cross sections were also estimated using the nuclear model code, TALYS-1.6 with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature data.

  5. EV Charging Infrastructure Roadmap

    Energy Technology Data Exchange (ETDEWEB)

    Karner, Donald [Electric Transportation Inc., Rogers, AR (United States); Garetson, Thomas [Electric Transportation Inc., Rogers, AR (United States); Francfort, Jim [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-08-01

    As highlighted in the U.S. Department of Energy’s EV Everywhere Grand Challenge, vehicle technology is advancing toward an objective to “… produce plug-in electric vehicles that are as affordable and convenient for the average American family as today’s gasoline-powered vehicles …” [1] by developing more efficient drivetrains, greater battery energy storage per dollar, and lighter-weight vehicle components and construction. With this technology advancement and improved vehicle performance, the objective for charging infrastructure is to promote vehicle adoption and maximize the number of electric miles driven. The EV Everywhere Charging Infrastructure Roadmap (hereafter referred to as Roadmap) looks forward and assumes that the technical challenges and vehicle performance improvements set forth in the EV Everywhere Grand Challenge will be met. The Roadmap identifies and prioritizes deployment of charging infrastructure in support of this charging infrastructure objective for the EV Everywhere Grand Challenge

  6. EV Charging Infrastructure Roadmap

    International Nuclear Information System (INIS)

    Karner, Donald; Garetson, Thomas; Francfort, Jim

    2016-01-01

    As highlighted in the U.S. Department of Energy's EV Everywhere Grand Challenge, vehicle technology is advancing toward an objective to ''... produce plug-in electric vehicles that are as affordable and convenient for the average American family as today's gasoline-powered vehicles ...'' [1] by developing more efficient drivetrains, greater battery energy storage per dollar, and lighter-weight vehicle components and construction. With this technology advancement and improved vehicle performance, the objective for charging infrastructure is to promote vehicle adoption and maximize the number of electric miles driven. The EV Everywhere Charging Infrastructure Roadmap (hereafter referred to as Roadmap) looks forward and assumes that the technical challenges and vehicle performance improvements set forth in the EV Everywhere Grand Challenge will be met. The Roadmap identifies and prioritizes deployment of charging infrastructure in support of this charging infrastructure objective for the EV Everywhere Grand Challenge

  7. Isomerization Intermediates In Solution Phase Photochemistry Of Stilbenes

    Science.gov (United States)

    Doany, F. E.; Hochstrasser, R. M.; Greene, B. I.

    1985-04-01

    Picosecond and subpicosecond spectroscopic studies have revealed evidence for an isomerization intermediate between cis and trans in the photoinduced isomerism of both stilbene and biindanyledene ("stiff" stilbene). In stiff stilbene, a transient absorption at 351 nm displays time evolution and viscosity dependence consistent with absorption by a twisted intermediate ("phantom" state) with a lOps lifetime. An analagous bottleneck state with a life-time of 4ps is also consistent with the ground state recovery dynamics of t-stilbene following excitation of c-stilbene when monitored with 0.1ps resolution.

  8. An isomeric reaction benchmark set to test if the performance of state-of-the-art density functionals can be regarded as independent of the external potential.

    Science.gov (United States)

    Schwabe, Tobias

    2014-07-28

    Some representative density functionals are assessed for isomerization reactions in which heteroatoms are systematically substituted with heavier members of the same element group. By this, it is investigated if the functional performance depends on the elements involved, i.e. on the external potential imposed by the atomic nuclei. Special emphasis is placed on reliable theoretical reference data and the attempt to minimize basis set effects. Both issues are challenging for molecules including heavy elements. The data suggest that no general bias can be identified for the functionals under investigation except for one case - M11-L. Nevertheless, large deviations from the reference data can be found for all functional approximations in some cases. The average error range for the nine functionals in this test is 17.6 kcal mol(-1). These outliers depreciate the general reliability of density functional approximations.

  9. Excitation of the (2p2)1D and (2s2p)1P autoionizing states of helium by 200 eV electron impact

    International Nuclear Information System (INIS)

    Godunov, A.L.; McGuire, J.H.; Schipakov, V.S.; Crowe, A.

    2002-01-01

    We report full second Born calculations with inclusion of post-collision interactions for excitation of the (2p 2 ) 1 D and (2s2p) 1 P autoionizing states of helium by 200 eV electron impact. The calculations are compared to (e, 2e) measurements of McDonald and Crowe (McDonald D G and Crowe A 1993 J. Phys. B: At. Mol. Opt. Phys. 26 2887-97) and Lower and Weigold (Lower J and Weigold E 1990 J. Phys. B: At. Mol. Opt. Phys. 23 2819-45). It is shown that post-collision interactions or Coulomb interactions in the final state between the scattered particle, the ejected electron and the recoil ion have a strong influence on both the direct ionization and resonance profiles around the binary lobe. The second-order terms in the amplitude of double electron excitation also play an observable role under these kinematic conditions. Reasonable agreement is found between the full-scale calculations and the experimental data. (author). Letter-to-the-editor

  10. Using {sup 233}U-doped crystals to access the few-eV isomeric transition in {sup 229}Th

    Energy Technology Data Exchange (ETDEWEB)

    Stellmer, Simon; Schreitl, Matthias; Kazakov, Georgy A.; Sterba, Johannes H.; Schumm, Thorsten [Vienna Center for Quantum Science and Technology (VCQ) and Atominstitut, TU Wien, Vienna (Austria)

    2016-07-01

    The isotope {sup 229}Th possesses an exceptionally low-lying isomeric state at an energy of only a few eV. While direct laser excitation of the isomer is a tantalizing future prospect, the stage is not yet set for nuclear laser spectroscopy: too little is known about the energy, lifetime, and internal conversion pathways of the isomer. Alternative routes to populate the isomer are needed for further investigations. We use the alpha decay {sup 233}U →{sup 229g,m}Th to populate the isomer with a probability of 2%. The {sup 233}U is embedded into VUV-transparent crystals, as the isomer transition is expected around 160 nm. The wavelength of the gamma ray, emitted upon de-excitation of the isomer into the ground state, is measured with a spectrometer. Calculations show that the isomer emission is not obscured by radioluminescence of the crystal. We report on the current status of the experiment.

  11. Absolute E3 and M2 transition probabilities for the electromagnetic decay of the I{sup {pi}}=K{sup {pi}}=8{sup -} isomeric state in {sup 132}Ce

    Energy Technology Data Exchange (ETDEWEB)

    Perkowski, J.; Andrzejewski, J.; Krol, A. [University of Lodz, Faculty of Physics and Applied Informatics, Lodz (Poland); Srebrny, J.; Kownacki, J.; Zielinska, M. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); Bruce, A.M. [University of Brighton, School of Environment and Technology, Brighton (United Kingdom); Droste, C.; Grodner, E.; Morek, T. [University of Warsaw, Nuclear Physics Division, IEP, Warsaw (Poland); Kisielinski, M. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); The Andrzej Soltan Institute for Nuclear Studies, Warsaw (Poland); Korman, A. [The Andrzej Soltan Institute for Nuclear Studies, Warsaw (Poland); Kowalczyk, M.; Mierzejewski, J. [University of Warsaw, Heavy Ion Laboratory, Warsaw (Poland); University of Warsaw, Nuclear Physics Division, IEP, Warsaw (Poland); Marganiec, J. [University of Lodz, Faculty of Physics and Applied Informatics, Lodz (Poland); Gesellschaft fuer Schwerionenforschung (GSI), Reactions and Nuclear Astrophysics Division, Darmstadt (Germany); Sobczak, K. [University of Lodz, Faculty of Physics and Applied Informatics, Lodz (Poland); Institute of Physics Polish Academy of Sciences, Warsaw (Poland); Trzaska, W.H. [University of Jyvaeskylae, Department of Physics, Survontie 9, P.O. Box 35, Jyvaeskylae (Finland); Helsinki Institute of Physics, Survontie 9, P.O. Box 35, Helsinki (Finland)

    2009-12-15

    The decay of the I{sup {pi}}=K{sup {pi}}=8{sup -} isomeric state at 2340keV in {sup 132}Ce has been investigated in the {sup 120}Sn({sup 16}O,4n){sup 132}Ce reaction. The measurements were carried out in e-{gamma} and {gamma}-{gamma} coincidence modes using an electron spectrometer coupled to the OSIRIS II gamma-ray array at the Heavy Ion Laboratory of the University of Warsaw. Experimentally obtained internal conversion coefficients for the 8{sup -}{yields}6{sup +} and 8{sup -}{yields}5{sup +} transitions allowed the multipolarities, mixing ratios, reduced transition probabilities and hindrance factors to be determined. (orig.)

  12. Excitation of the isomeric states 1h sub 1 sub 1 sub / sub 2 in the nuclear reactions with gamma-quanta, neutrons and at beta decay

    CERN Document Server

    Belov, A G; Melnikova, L M; Ponomarev, V Yu; Tsoneva, N; Stoyanov, C; Balabanov, N P; Tonchev, A P

    2001-01-01

    The isomeric ratios (IR) were measured in the isotones with N = 81 ( sup 1 sup 3 sup 5 Xe, sup 1 sup 3 sup 7 Ba, sup 1 sup 3 sup 9 Ce, sup 1 sup 4 sup 1 Nd, and sup 1 sup 4 sup 3 Sm). Isomers with J suppi 11/2 sup - were excited in the reactions (n, gamma), (gamma, n), and beta sup + decay of sup 1 sup 3 sup 9 Pr and sup 1 sup 4 sup 1 Pm. The activation methods of gamma-spectrum measurement of reaction products was used. The marked difference of IR was observed in the isotones with the different atomic numbers Z but in the same reactions. The calculations of IR using low-level spectrum of final nuclei and probability of radiation transitions on the base of the quasiparticle phonon model were performed. The satisfactory agreement of the measured and calculated IR was obtained for all studied isotopes. The dependence of IR on Z is explained by the different energy of reaction and different probability levels population of the activation

  13. Quantum optimal control of ozone isomerization

    International Nuclear Information System (INIS)

    Artamonov, Maxim; Ho, Tak-San; Rabitz, Herschel

    2004-01-01

    We present a feasibility study of ozone isomerization based on a recent ab initio potential energy surface and a model Hamiltonian constructed by holding the bond lengths constant and using the valence angle as the isomerization coordinate. Optimal control theory is used to find an electric field that drives isomerization with a yield of 95% to the symmetric metastable triangular form of ozone. A frequency filter is applied as an additional spectral constraint limiting the field bandwidth. A post-facto analysis is performed showing a degree of inherent robustness of the isomerization yield to field noise

  14. Configurational isomerism in polyoxovanadates

    Energy Technology Data Exchange (ETDEWEB)

    Mahnke, Lisa K.; Naether, Christian; Bensch, Wolfgang [Institut fuer Anorganische Chemie, Christian-Albrechts-Universitaet, Kiel (Germany); Kondinski, Aleksandar; Van Leusen, Jan; Monakhov, Kirill Yu.; Koegerler, Paul [Institut fuer Anorganische Chemie, RWTH Aachen University (Germany); Warzok, Ulrike; Schalley, Christoph A. [Institut fuer Chemie und Biochemie, Freie Universitaet Berlin (Germany)

    2018-03-05

    A water-soluble derivative of the polyoxovanadate {V_1_5E_6O_4_2} (E=semimetal) archetype enables the study of cluster shell rearrangements driven by supramolecular interactions. A reaction unique to E=Sb, induced exclusively by ligand metathesis in peripheral [Ni(ethylenediamine){sub 3}]{sup 2+} counterions, results in the formation of the metastable α{sub 1}* configurational isomer of the {V_1_4Sb_8O_4_2} cluster type. Contrary to all other polyoxovanadate shell architectures, this isomer comprises an inward-oriented vanadyl group and is ca. 50 and 12 kJ mol{sup -1} higher in energy than the previously isolated α and β isomers, respectively. We discuss this unexpected reaction in light of supramolecular Sb-O..V and Sb-O..Sb contacts manifested in {V_1_4Sb_8O_4_2}{sub 2} dimers detected in the solid state. ESI MS experiments confirm the stability of these dimers also in solution and in the gas phase. DFT calculations indicate that other, as of yet elusive isomers of {V_1_4Sb_8}, might be accessible as well. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Prompt and delayed spectroscopy of At203 : Observation of a shears band and a 29/2+ isomeric state

    Energy Technology Data Exchange (ETDEWEB)

    Auranen, K.; Uusitalo, J.; Juutinen, S.; Badran, H.; Defranchi Bisso, F.; Cox, D.; Grahn, T.; Greenlees, P. T.; Herzáň, A.; Jakobsson, U.; Julin, R.; Konki, J.; Leino, M.; Lightfoot, A.; Mallaburn, M. J.; Neuvonen, O.; Pakarinen, J.; Papadakis, P.; Partanen, J.; Rahkila, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Sorri, J.; Stolze, S.; Wang, Y. K.

    2018-02-01

    Using fusion-evaporation reactions, a gas-filled recoil separator, recoil-gating technique and recoil-isomer decay tagging technique we have extended the level scheme of At-203 (N = 118) significantly. We have observed an isomeric [tau = 14.1(3) mu s] state with a spin and parity of 29/2(+). The isomeric state is suggested to originate from the pi(h(9/2)) circle times |Po-202; 11(-)> coupling, and it is depopulated through 286 keV E2 and 366 keV E3 transitions. In addition, we have observed a cascade of magnetic-dipole transitions which is suggested to be generated by the shears mechanism.

  16. State-to-state dynamics of H+HX collisions. II. The H+HX→HX/sup dagger/+H (X = Cl,Br,I) reactive exchange and inelastic collisions at 1.6 eV collision energy

    International Nuclear Information System (INIS)

    Aker, P.M.; Germann, G.J.; Tabor, K.D.; Valentini, J.J.

    1989-01-01

    We report measurement of product state distributions for the rotationally and/or vibrationally excited HX formed in collisions of translationally hot H atoms with HX (X = Cl, Br, and I) at 1.6 eV collision energy. The product state distributions are probed after only one collision of the fast H atom, using coherent anti-Stokes Raman scattering spectroscopy. Whether proceeding by inelastic collisions or reactive exchange, the transfer of translational energy to vibrational and rotational energy is quite inefficient in H+HX collisions at 1.6 eV. For all three hydrogen halides only 2--3% of the initial translational energy appears as HX vibration. For H+HCl only 6% of the initial energy is converted to HCl rotational energy, while for H+HBr and H+HI, this percentage is twice as large, 11--12%, but still small. The indistinguishability of the two H atoms involved makes it impossible to distinguish reactive exchange from inelastic energy transfer in these H+HX collisions. However, the difference in rotational energy partitioning for H+HBr and H+HI as compared with H+HCl, suggests that reactive exchange is dominant in the former and inelastic energy transfer dominates in the latter. The total cross sections for the combined energy transfer/reactive exchange do not change much with the identity of X, being 13 +- 3, 11 +- 2, and 11 +- 2 A 2 , for H+HCl, H+HBr, and H+HI, respectively

  17. Direct observation of an isomeric state in {sup 98}Rb and nuclear properties of exotic rubidium isotopes measured by laser spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Procter, T.J.; Garnsworthy, A.B.; Levy, C.D.P.; Pearson, M.R. [TRIUMF, Vancouver, British Columbia (Canada); Behr, J.A.; Dilling, J. [TRIUMF, Vancouver, British Columbia (Canada); University of British Columbia, Department of Physics, Vancouver, British Columbia (Canada); Billowes, J. [The University of Manchester, School of Physics and Astronomy, Manchester (United Kingdom); Buchinger, F.; Crawford, J.E.; Leary, A.; Shelbaya, O.; Al Tamimi, W. [McGill University, Physics Department, Montreal, Quebec (Canada); Cheal, B. [University of Liverpool, Department of Physics, Liverpool (United Kingdom); Mane, E. [TRIUMF, Vancouver, British Columbia (Canada); Ministry of External Relations, Rio Bianco Institute, Brasilia (Brazil); Stolz, M. [Technische Universitaet Berlin, Berlin (Germany); Voss, A. [TRIUMF, Vancouver, British Columbia (Canada); University of Jyvaeskylae, Department of Physics, Jyvaeskylae (Finland)

    2015-02-01

    Fast-beam collinear laser spectroscopy experiments on rubidium have been performed at the ISAC radioactive ion beam facility at TRIUMF. Most recently, the neutron-rich {sup 98}Rb isotope has been studied for the investigation of shape coexistence. Two long-lived nuclear states in {sup 98}Rb have been clearly observed for the first time: a low-spin state, assigned a spin of I = 0, and a high-spin state. The high-spin state is tentatively assigned a spin of I = 3 based on this analysis in combination with gamma decay results. The measured nuclear properties of the two states are presented, alongside unpublished values of the neutron-deficient isotopes investigated previously. The mean-square charge radii of both states in {sup 98}Rb are observed to continue along the isodeformation line present after the N = 60 onset of deformation. (orig.)

  18. Deconstructing field-induced ketene isomerization through Lagrangian descriptors.

    Science.gov (United States)

    Craven, Galen T; Hernandez, Rigoberto

    2016-02-07

    The time-dependent geometrical separatrices governing state transitions in field-induced ketene isomerization are constructed using the method of Lagrangian descriptors. We obtain the stable and unstable manifolds of time-varying transition states as dynamic phase space objects governing configurational changes when the ketene molecule is subjected to an oscillating electric field. The dynamics of the isomerization reaction are modeled through classical trajectory studies on the Gezelter-Miller potential energy surface and an approximate dipole moment model which is coupled to a time-dependent electric field. We obtain a representation of the reaction geometry, over varying field strengths and oscillation frequencies, by partitioning an initial phase space into basins labeled according to which product state is reached at a given time. The borders between these basins are in agreement with those obtained using Lagrangian descriptors, even in regimes exhibiting chaotic dynamics. Major outcomes of this work are: validation and extension of a transition state theory framework built from Lagrangian descriptors, elaboration of the applicability for this theory to periodically- and aperiodically-driven molecular systems, and prediction of regimes in which isomerization of ketene and its derivatives may be controlled using an external field.

  19. Isomeric rations study for the α + 70 Ge

    International Nuclear Information System (INIS)

    Hora Villano, M.H. da.

    1984-12-01

    Isomeric ratios for 73 Se F,I produced in the reaction α + 70 Ge with incidence laboratory energy ranging from 8 to 28 MeV, have been measured using off-line γ-ray spectroscopy. Relative formation cross-section for isomeric and ground states were obtained with NAT Ge targets. Compound nucleus statistical analyses were performed using computer codes Alice and Julian. Unlike to Alice code, the Julian code predictions agreed quite well with the experimental results. This agreement may be explained by the inclusion of the γ competition in the deexcitation channels of the compound nucleus and by the correct level density calculation of the emission probabilities in the Julian code. Finally angular momentum populations for isomers formations in the reaction 70 Ge(α, n) 73 have been determined. (author)

  20. EV-GHG Mobile Source

    Data.gov (United States)

    U.S. Environmental Protection Agency — The EV-GHG Mobile Source Data asset contains measured mobile source GHG emissions summary compliance information on light-duty vehicles, by model, for certification...

  1. Communication: An accurate calculation of the S1 C2H2 cis-trans isomerization barrier height

    International Nuclear Information System (INIS)

    Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.

    2016-01-01

    A high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination.

  2. EV Portfolio Management and Grid Impact Study

    DEFF Research Database (Denmark)

    Wu, Qiuwei; Jensen, Jakob Munch; Hansen, Lars Henrik

    2009-01-01

    is to determine the day‐ahead charging schedules of a fleet of EVs in order to minimize the EV charging cost with EV energy constraints taken into account. In order to investigate the benefits of the spot price based EV charging scenario, two more charging scenarios have been studied as well, i.e. plug......The EV portfolio management is to develop an EV charging management algorithm in order to determine EV charging schedules with the goal of utilizing renewalbe energy production for EV charging as much as possible and ensuring that EV energy requirements for driving needs are met. According...

  3. Pion condensation and density isomerism in nuclear matter

    International Nuclear Information System (INIS)

    Hecking, P.; Weise, W.

    1979-01-01

    The possible existence of density isomers in nuclear matter, induced by pion condensation, is discussed; the nuclear equation of state is treated within the framework of the sigma model. Repulsive short-range baryon-baryon correlations, the admixture of Δ (1232) isobars and finite-range pion-baryon vertex form factors are taken into account. The strong dependence of density isomerism on the high density extrapolation of the equation of state for normal nuclear matter is also investigated. We find that, once finite range pion-baryon vertices are introduced, the appearance of density isomers becomes unlikely

  4. Geometrical Optimization Approach to Isomerization: Models and Limitations.

    Science.gov (United States)

    Chang, Bo Y; Shin, Seokmin; Engel, Volker; Sola, Ignacio R

    2017-11-02

    We study laser-driven isomerization reactions through an excited electronic state using the recently developed Geometrical Optimization procedure. Our goal is to analyze whether an initial wave packet in the ground state, with optimized amplitudes and phases, can be used to enhance the yield of the reaction at faster rates, driven by a single picosecond pulse or a pair of femtosecond pulses resonant with the electronic transition. We show that the symmetry of the system imposes limitations in the optimization procedure, such that the method rediscovers the pump-dump mechanism.

  5. Isomeric island in the vicinity of 66Fe

    International Nuclear Information System (INIS)

    Daugas, J. M.; Belier, G.; Girod, M.; Goutte, H.; Meot, V.; Perru, O.; Roig, O.; Sauvestre, J. E.; Sawicka, M.; Pfuetzner, M.; Zylicz, J.; Matea, I.; Giovinazzo, J.; Grawe, H.; Becker, F.; Mayet, P.; Grzywacz, R.; Achouri, N. L.; Angelique, J. C.; Baiborodin, D.

    2006-01-01

    An island of isomers have recently been observed on both sides of the N=40 shell below the Ni isotopes. Isomeric states in the 65Fe and 67Fe allow the knowledge of the single particle structure around the νg9/2 shell. Moreover, the excitation energy of the first 2+ and 4+ states in the 68Fe have been established by β-γ correlation. The evolution of the structure of the Fe isotopes going far away from the valley of stability is, for the first time, given for N>40

  6. Actual preferences for EV households in Denmark and Sweden

    DEFF Research Database (Denmark)

    Jensen, Anders Fjendbo; Haustein, Sonja; Cherchi, Elisabetta

    , as the EV market is still quite immature in most countries, lack of data on EV users is a common problem for researchers. Data on EV purchase and use have thus often been collected by means of data from intentional statements (see e.g. Bühler et al. 2014), stated preferences (see e.g. Bunch et al. 1993......; Hidrue et al. 2011; Jensen et al. 2014) and EV vehicle trials (Golob & Gould 1998; Franke & Krems 2013; Jensen et al. 2014). While such studies have provided important insight into various areas of the EV market, the fact that the results are not based on actual behaviour means that they are subject...... to a high degree of uncertainty. Being the global EV market forerunner, Norway has a better foundation for studying the EV market based on actual EV owners. On these grounds, Klöckner et al. (2013), studied differences in car use between EV and conventional vehicle (CV) users. Also in Norway, Mersky et al...

  7. Special features of isomeric ratios in nuclear reactions induced by various projectile particles

    Energy Technology Data Exchange (ETDEWEB)

    Danagulyan, A. S.; Hovhannisyan, G. H., E-mail: hov-gohar@ysu.am; Bakhshiyan, T. M.; Martirosyan, G. V. [Yerevan State University (Armenia)

    2016-05-15

    Calculations for (p, n) and (α, p3n) reactions were performed with the aid of the TALYS-1.4 code. Reactions in which the mass numbers of target and product nuclei were identical were examined in the range of A = 44–124. Excitation functions were obtained for product nuclei in ground and isomeric states, and isomeric ratios were calculated. The calculated data reflect well the dependence of the isomeric ratios on the projectile type. A comparison of the calculated and experimental data reveals, that, for some nuclei in a high-spin state, the calculated data fall greatly short of their experimental counterparts. These discrepancies may be due to the presence of high-spin yrast states and rotational bands in these nuclei. Calculations involving various level-density models included in the TALYS-1.4 code with allowance for the enhancement of collective effects do not remove the discrepancies in the majority of cases.

  8. Results of a Direct Search Using Synchrotron Radiation for the Low-Energy (229)Th Nuclear Isomeric Transition.

    Science.gov (United States)

    Jeet, Justin; Schneider, Christian; Sullivan, Scott T; Rellergert, Wade G; Mirzadeh, Saed; Cassanho, A; Jenssen, H P; Tkalya, Eugene V; Hudson, Eric R

    2015-06-26

    We report the results of a direct search for the (229)Th (I(π)=3/2(+)←5/2(+)) nuclear isomeric transition, performed by exposing (229)Th-doped LiSrAlF(6) crystals to tunable vacuum-ultraviolet synchrotron radiation and observing any resulting fluorescence. We also use existing nuclear physics data to establish a range of possible transition strengths for the isomeric transition. We find no evidence for the thorium nuclear transition between 7.3 eV and 8.8 eV with transition lifetime (1-2) s≲τ≲(2000-5600)  s. This measurement excludes roughly half of the favored transition search area and can be used to direct future searches.

  9. A new fundamental type of conformational isomerism

    Science.gov (United States)

    Canfield, Peter J.; Blake, Iain M.; Cai, Zheng-Li; Luck, Ian J.; Krausz, Elmars; Kobayashi, Rika; Reimers, Jeffrey R.; Crossley, Maxwell J.

    2018-06-01

    Isomerism is a fundamental chemical concept, reflecting the fact that the arrangement of atoms in a molecular entity has a profound influence on its chemical and physical properties. Here we describe a previously unclassified fundamental form of conformational isomerism through four resolved stereoisomers of a transoid (BF)O(BF)-quinoxalinoporphyrin. These comprise two pairs of enantiomers that manifest structural relationships not describable within existing IUPAC nomenclature and terminology. They undergo thermal diastereomeric interconversion over a barrier of 104 ± 2 kJ mol-1, which we term `akamptisomerization'. Feasible interconversion processes between conceivable synthesis products and reaction intermediates were mapped out by density functional theory calculations, identifying bond-angle inversion (BAI) at a singly bonded atom as the reaction mechanism. We also introduce the necessary BAI stereodescriptors parvo and amplo. Based on an extended polytope formalism of molecular structure and stereoisomerization, BAI-driven akamptisomerization is shown to be the final fundamental type of conformational isomerization.

  10. Instant LEGO Mindstorm EV3

    CERN Document Server

    Garber, Gary

    2013-01-01

    Filled with practical, step-by-step instructions and clear explanations for the most important and useful tasks. A concise guide full of step-by-step recipes to teach you how to build and program an advanced robot.""Instant LEGO Mindstorm EV3"" is for both the adult tinkerer who has never touched LEGO before and the experienced LEGO engineer who has evolved from Mindstorm NXT to EV3. If you are interested in entering or advising students in robot competitions such as the FIRST LEGO League, the Wold Robot Olympiad, or RoboGames, then this book is a must for you. Even if you haven't purchased yo

  11. Low-lying isomeric levels in Cu75

    Science.gov (United States)

    Daugas, J. M.; Faul, T.; Grawe, H.; Pfützner, M.; Grzywacz, R.; Lewitowicz, M.; Achouri, N. L.; Angélique, J. C.; Baiborodin, D.; Bentida, R.; Béraud, R.; Borcea, C.; Bingham, C. R.; Catford, W. N.; Emsallem, A.; de France, G.; Grzywacz, K. L.; Lemmon, R. C.; Lopez Jimenez, M. J.; de Oliveira Santos, F.; Regan, P. H.; Rykaczewski, K.; Sauvestre, J. E.; Sawicka, M.; Stanoiu, M.; Sieja, K.; Nowacki, F.

    2010-03-01

    Isomeric low-lying states were identified and investigated in the Cu75 nucleus. Two states at 61.8(5)- and 128.3(7)-keV excitation energies with half-lives of 370(40)- and 170(15)-ns were assigned as Cu75m1 and Cu75m2, respectively. The measured half-lives combined with the recent spin assignment of the ground state allow one to deduce tentatively spin and parity of the two isomers and the dominant multipolarities of the isomeric transitions with respect to the systematics of the Cu isotopes. Shell-model calculations using an up-to-date effective interaction reproduce the evolution of the 1/2-, 3/2-, and 5/2- states for the neutron-rich odd-mass Cu isotopes when filling the νg9/2. The results indicate a significant change in the nuclear structure in this region, where a single-particle 5/2- state coexists with more and more collective 3/2- and 1/2- levels at low excitation energies.

  12. Easy Synthesis of Two Positional Isomeric Tetrazole Libraries

    NARCIS (Netherlands)

    Wang, Yuanze; Patil, Pravin; Dömling, Alexander

    2016-01-01

    A fast and efficient synthesis of libraries of positional isomeric 1H-tetrazoles and 5H-tetrazoles, for the purpose of testing binding hypothesis of isomeric tetrazoles in fragment-based drug discovery, is described.

  13. Consequences of acid strength for isomerization and elimination catalysis on solid acids.

    Science.gov (United States)

    Macht, Josef; Carr, Robert T; Iglesia, Enrique

    2009-05-13

    We address here the manner in which acid catalysis senses the strength of solid acids. Acid strengths for Keggin polyoxometalate (POM) clusters and zeolites, chosen because of their accurately known structures, are described rigorously by their deprotonation energies (DPE). Mechanistic interpretations of the measured dynamics of alkane isomerization and alkanol dehydration are used to obtain rate and equilibrium constants and energies for intermediates and transition states and to relate them to acid strength. n-Hexane isomerization rates were limited by isomerization of alkoxide intermediates on bifunctional metal-acid mixtures designed to maintain alkane-alkene equilibrium. Isomerization rate constants were normalized by the number of accessible protons, measured by titration with 2,6-di-tert-butylpyridine during catalysis. Equilibrium constants for alkoxides formed by protonation of n-hexene increased slightly with deprotonation energies (DPE), while isomerization rate constants decreased and activation barriers increased with increasing DPE, as also shown for alkanol dehydration reactions. These trends are consistent with thermochemical analyses of the transition states involved in isomerization and elimination steps. For all reactions, barriers increased by less than the concomitant increase in DPE upon changes in composition, because electrostatic stabilization of ion-pairs at the relevant transition states becomes more effective for weaker acids, as a result of their higher charge density at the anionic conjugate base. Alkoxide isomerization barriers were more sensitive to DPE than for elimination from H-bonded alkanols, the step that limits 2-butanol and 1-butanol dehydration rates; the latter two reactions showed similar DPE sensitivities, despite significant differences in their rates and activation barriers, indicating that slower reactions are not necessarily more sensitive to acid strength, but instead reflect the involvement of more unstable organic

  14. How Do The EV Project Participants Feel About Their EVS?

    Energy Technology Data Exchange (ETDEWEB)

    Francfort, James E. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-02-01

    The EV Project is an infrastructure study that enrolled over 8,000 residential participants. These participants purchased or leased a Nissan Leaf battery electric vehicle (BEV) or Chevrolet Volt extended range electric vehicle (EREV) and were among the first to explore this new electric drive technology. Collectively, BEV, EREV, and plug-in hybrid electric vehicles (PHEVs) are called plug-in electric vehicles (PEVs). The EV Project participants were very cooperative and enthusiastic about their participation in the project and very supportive in providing feedback and information. The information and attitudes of these participants concerning their experience with their PEVs were solicited using a survey in June 2013. At that time, some had up to 3 years of experience with their PEVs.

  15. Probing the Single-Particle Character of Rotational States in F19 Using a Short-Lived Isomeric Beam

    Energy Technology Data Exchange (ETDEWEB)

    Santiago-Gonzalez, D.; Auranen, K.; Avila, M. L.; Ayangeakaa, A. D.; Back, B. B.; Bottoni, S.; Carpenter, M. P.; Chen, J.; Deibel, C. M.; Hood, A. A.; Hoffman, C. R.; Janssens, R. V. F.; Jiang, C. L.; Kay, B. P.; Kuvin, S. A.; Lauer, A.; Schiffer, J. P.; Sethi, J.; Talwar, R.; Wiedenhöver, I.; Winkelbauer, J.; Zhu, S.

    2018-03-01

    A beam containing a substantial component of both the J(pi) = 5(+), T-1/2 = 162 ns isomeric state of F-18 and its 1(+), 109.77-min ground state is utilized to study members of the ground-state rotational band in F-19 through the neutron transfer reaction (d,p) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13/2(+) band-terminating state. The agreement between shell-model calculations using an interaction constructed within the sd shell, and our experimental results reinforces the idea of a single-particle-collective duality in the descriptions of the structure of atomic nuclei.

  16. Formation, isomerization, and derivatization of keggin tungstoaluminates.

    Science.gov (United States)

    Jennifer J. Cowan; Alan J. Bailey; Robert A. Heintz; Bao T. Do; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock

    2001-01-01

    Trends in the stability of ¥á and ©¬-Keggin heteropolytungstates of the second-row main-group heteroatoms Al(III), Si(IV), and P(V) are elaborated by data that establish the roles of kinetic and thermodynamic control in the formation and isomerization of Keggin tungstoaluminates. Slow, room-temperature co-...

  17. Isomeric periodic mesoporous organosilicas with controllable properties

    NARCIS (Netherlands)

    Vercaemst, C.; Ide, I.; Friedrich, H.; de Jong, K.P.; Verpoort, F.; van der Voort, P.

    2009-01-01

    The synthesis procedure for isomeric periodic mesoporous organosilicas with E-configured ethenylene bridges was investigated using the homemade pure E-isomer of 1,2-bis(triethoxysilyl)ethene. The pH, aging temperature and the presence of cosolvents played a key role in obtaining well-ordered

  18. Trimethylphosphide isomerization in lanthanum ions presence

    International Nuclear Information System (INIS)

    Zacharias, M.A.; Massabni, A.M.G.

    1984-01-01

    The integration between the trimethilphosphide and the lanthanum ions carry to the formation of solid complexes in a relation of 6:1 where the ligand is the phosphonate what is resultant of the isomerization of trimetylphosphite. By the RMN -1 H and infra-red spectra the products were characterized. (L.M.J.) [pt

  19. Crystal structure of isomeric boron difluoride acetylnaphtholates

    International Nuclear Information System (INIS)

    Bukvetskij, B.V.; Fedorenko, E.V.; Mirochnik, A.G.; Karasev, V.E.

    2006-01-01

    Crystal structures of luminescent isomeric acetylnaphtholates of boron difluoride are investigated. Full X-ray structural analysis is done at 293 K. Coordinated of atoms, bond angles, bond lengths, interatomic distances are determined. Results of comparative evaluations of the isomers are represented [ru

  20. Cryo-EM structure of isomeric molluscan hemocyanin triggered by viral infection.

    Directory of Open Access Journals (Sweden)

    Hongtao Zhu

    Full Text Available Hemocyanins (Hcs of arthropods and mollusks function not only as oxygen transporters, but also as phenoloxidases (POs. In invertebrates, PO is an important component in the innate immune cascade, where it functions as the initiator of melanin synthesis, a pigment involved in encapsulating and killing of pathogenic microbes. Although structures of Hc from several species of invertebrates have been reported, the structural basis for how PO activity is triggered by structural changes of Hc in vivo remains poorly understood. Here, we report a 6.8 Å cryo-electron microscopy (cryo-EM structure of the isomeric form of hemocyanin, which was isolated from Abalone Shriveling syndrome-associated Virus (AbSV infected abalone (Halitotis diversicolor, and build a pseudoatomic model of isomeric H. diversicolor hemocyanin 1 (HdH1. Our results show that, compared with native form of HdH1, the architecture of isomeric HdH1 turns into a more relaxed form. The interactions between certain functional units (FUs present in the native form of Hc either decreased or were totally abolished in the isomeric form of Hc. As a result of that, native state Hc switches to its isomeric form, enabling it to play its role in innate immune responses against invading pathogens.

  1. Cat's claw oxindole alkaloid isomerization induced by common extraction methods

    Directory of Open Access Journals (Sweden)

    Samuel Kaiser

    2013-01-01

    Full Text Available Cat's claw oxindole alkaloids are prone to isomerization in aqueous solution. However, studies on their behavior in extraction processes are scarce. This paper addressed the issue by considering five commonly used extraction processes. Unlike dynamic maceration (DM and ultrasound-assisted extraction, substantial isomerization was induced by static maceration, turbo-extraction and reflux extraction. After heating under reflux in DM, the kinetic order of isomerization was established and equations were fitted successfully using a four-parameter Weibull model (R² > 0.999. Different isomerization rates and equilibrium constants were verified, revealing a possible matrix effect on alkaloid isomerization.

  2. Possible evidence for shape isomeric γ-decay in μ- atoms of 238U

    International Nuclear Information System (INIS)

    Fromm, W.D.; Ortlepp, H.-G.; Polikanov, S.M.; Schmidt, U.; Zorin, G.N.; Arlt, R.; Musiol, G.

    1977-01-01

    A search for the γ-decay of the shape isomer in muonic 238 U excited by radiationless transitions has been performed. Seven delayed transitions in the energy region of 700 to 3200 keV have been observed with a large Ge(Li) detector. Two transitions with Esub(γ)=2215 and 3131 keV have been attributed to the decay of the shape isomeric state into levels in the first well. The isomeric shift of the second minimum Esub(II) approximately 600 keV in the presence of the muon and the decrease of the lifetime of the shape isomer to tau=12+-2 ns give arguments in favour of the connection of shape isomerism with large quadrupole deformations. (Auth.)

  3. Is isomerism a risk factor for intestinal volvulus?

    Science.gov (United States)

    Landisch, Rachel M; Loomba, Rohit S; Salazar, Jose H; Buelow, Matthew W; Frommelt, Michele; Anderson, Robert H; Wagner, Amy J

    2018-03-06

    Isomerism, or heterotaxy syndrome, affects many organ systems anatomically and functionally. Intestinal malrotation is common in patients with isomerism. Despite a low reported risk of volvulus, some physicians perform routine screening and prophylactic Ladd procedures on asymptomatic patients with isomerism who are found to have intestinal malrotation. The primary aim of this study was to determine if isomerism is an independent risk factor for volvulus. Kid's Inpatient Database data from 1997 to 2012 was utilized for this study. Characteristics of admissions with and without isomerism were compared with a particular focus on intestinal malrotation, volvulus, and Ladd procedure. A logistic regression was conducted to determine independent risk factors for volvulus with respect to isomerism. 15,962,403 inpatient admissions were included in the analysis, of which 7970 (0.05%) patients had isomerism, and 6 patients (0.1%) developed volvulus. Isomerism was associated with a 52-fold increase in the odds of intestinal malrotation by univariate analysis. Of 251 with isomerism and intestinal malrotation, only 2.4% experienced volvulus. Logistic regression demonstrated that isomerism was not an independent risk factor for volvulus. Isomerism is associated with an increased risk of intestinal malrotation but is not an independent risk factor for volvulus. Prognosis study. Level III. Copyright © 2018 Elsevier Inc. All rights reserved.

  4. Observation of an isomeric level in 239U by means of the 238U(n,γ)239U reaction

    International Nuclear Information System (INIS)

    Thomas, B.W.; Murray, J.; Rae, E.R.

    1970-01-01

    Low-energy-capture gamma-ray spectra ( 238 U up to a neutron energy of 350 eV. The data were obtained using a 25-cm 3 Ge(Li) detector at the Harwell 45 MeV Electron Linac. Capture events were recorded as functions of gamma-ray energy and neutron time-of-flight, and by suitable analysis of the data time-of-flight spectra have been obtained for individual gamma-rays. The strongest low-energy gamma-ray, at 134 keV, depopulates a level in 239 U at the same energy by an E2-transition to the ground state. The time-of-flight spectrum for this transition indicates that the 134-keV level is isomeric with a half-life of approximately 1 microsecond. This is evident from the long tails on the low-energy side of each resonance, which are not present for other regions of the gamma-ray spectrum. The possibility of using low-energy gamma-rays as a measure of the total capture cross-section is investigated by comparing the time-of-flight spectrum for the 134-keV transition with that for a Moxon-Rae detector under the same experimental conditions. (author)

  5. Characterizing gamma fields using isomeric activation ratios

    Science.gov (United States)

    Venkataraman, Ramkumar; Fleming, Ronald F.

    1994-12-01

    Isomeric activities were induced in indium by gamma irradiation in three different gamma fields, through the reactions 115In(γ, γ') 115mIn and 113In(γ, γ') 113mIn. The irradiation fields were (i) the 15 kCi 60Co source available in the University, (ii) the spent fuel gamma irradiator in the pool of the University's Ford Nuclear Reactor (FNR) and (iii) south face of the core of the FNR during routine shut downs. Isomeric activation ratios can serve to characterize gamma fields, provided the response functions of the two (γ, γ') reactions sample different energy regimes of the gamma spectrum present in the irradiation fields. The response of an isomeric activation detector, in turn, depends on the number of activation energy levels of the nuclide and the probabilities with which the activation levels de-populate to the isomeric level. The reaction rate ratio RIn115m/ RIn113m was measured in the three gamma fields. The measured ratios were (i) 1.210 ± 0.011 in the 60Co source, (ii) 1.314 ± 0.060 in the spent fuel gamma irradiator and (iii) 1.298 ± 0.039 in a location alongside the FNR core during routine shut downs. The measured reaction rate ratios are not only close to each other, but close to unity as well. This indicates that the excitation functions for the reactions 115In(γ, γ') 115mIn and 113In(γ, γ') 113mIn have similar shapes and that for the nuclides 115In and 113In, the number of activation energy levels and the probabilities with which they populate the isomeric levels are very similar to each other. Thus, the ratio RIn115m/ RIn113m will not yield any information regarding the shape of gamma spectrum in the field of measurement. However by choosing (γ, γ') reactions with different shapes for the excitation functions one can measure a set of isomeric activation ratios that characterize a given gamma field.

  6. Computational Studies of Bridging Structures and Isomerism in Substituted Disilynes.

    Science.gov (United States)

    Serafin, Lukasz M; Law, Mark M; van Mourik, Tanja

    2013-06-11

    The substituted disilyne molecules, Si2Li2 and Si2HX, where X = Li, F, and Cl, have been investigated using the high-level CCSD(T) and CCSD(T)-F12 ab initio methods. The calculations have found or confirmed the existence of several isomeric forms and transition states for each molecule. Optimized geometries, relative energies, and harmonic vibration frequencies are reported. Bridging structures exist in all cases. Comparisons are made with existing literature results for the related Si2H2, C2X2, and C2HX isomerizing systems. Additionally, CCSD(T) and CCSD(T)-F12 calculations were performed for Si2H2, for which experimental spectroscopic data are available. Results calculated with CCSD(T)-F12 and the cc-pVTZ-F12 basis set are of comparable quality as those computed with CCSD(T) and the much larger cc-pV(6+d)Z basis set, at much less computational cost. We recommend the CCSD(T)-F12/cc-pVTZ-F12 level of theory as a very attractive alternative to conventional CCSD(T).

  7. Destabilization in the isomeric nitrobenzonitriles: an experimental thermochemical study

    International Nuclear Information System (INIS)

    Roux, Maria Victoria; Jimenez, Pilar; Davalos, Juan Z.; Temprado, Manuel; Liebman, Joel F.

    2003-01-01

    The enthalpies of combustion and of sublimation, respectively, of the three isomeric nitrobenzonitriles have been measured: o-, {(-3456.3±2.9), (88.1±1.4)} kJ·mol -1 ; m-, {(-3442.8±3.3), (92.8±0.3)} kJ·mol -1 ; p-, {(-3448.2±3.6), (91.1±1.3)} kJ·mol -1 . In turn, from these values, the standard molar enthalpies of formation for the condensed and gaseous state, respectively, have been derived: o-, {(130.1±3.1), (218.2±3.4)} kJ·mol -1 ; m-, {(116.5±3.5), (209.3±3.5)} kJ·mol -1 ; p-, {(122.0±3.8), (213.1±4.0)} kJ·mol -1 . Destabilization energies associated with the presence of the two electron-withdrawing groups have been determined, for o-, m-, and p-nitrobenzonitrile, {(17.6±4.1), (8.7±4.2), and (12.5±4.6)} kJ·mol -1 , respectively, and are consistent with those obtained for the corresponding sets of isomeric methyl benzenedicarboxylates, dicyanobenzenes, dinitrobenzenes, and (neutral and ionized) nitrobenzoic acids

  8. Isomerization of C[sub 4] alkenes

    Science.gov (United States)

    Smith, L.A. Jr.

    1984-11-13

    A method is described for isomerizing isobutene or n-butene to produce a mixture of isobutene and normal butene, and polymerizing at least a portion thereof to produce isobutene/n-butene co-dimer, which comprises feeding at least 80 weight % of either the isobutene or n-butene to a catalytic distillation reactor containing a fixed bed acidic cation exchange resin catalyst packing which provides both the catalyst sites and distillation sites for the reaction products, isomerizing a portion of the isobutene or n-butene to produce a mixture of isobutene and n-butene and reacting at least a portion of the isobutene and n-butene to form co-dimer of isobutene and n-butene, whereby an overhead fraction containing any unreacted isobutene and n-butene and a bottoms fraction containing co-dimer is produced. The result of the reaction is substantially the same regardless whether the feed is isobutene or n-butene. Other aspects of the invention, include combinations of procedures to produce high purity isobutene and n-butene. Either isobutene or n-butene product (depending on the desired product) can be recycled as feed, thus substantially carrying out the isomerization to extinction and total conversion to the desired product. 1 fig.

  9. Global EV Outlook: Understanding the Electric Vehicle Landscape to 2020

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-06-01

    The Global EV Outlook represents the collective efforts of two years of primary data gathering and analysis from the Electric Vehicles Initiative (EVI) and IEA. Key takeaways and insights include landscape analysis of electric vehicle (EV) stock/sales and charging station deployment. Existing policy initiatives are delineated and future opportunities highlighted in an ''Opportunity Matrix: Pathways to 2020''. Together EVI countries accounted for more than 90% of world EV stock at the end of 2012. Strong government support in EVI countries on both the supply and demand sides are contributing to rising market penetration. 12 out of 15 EVI countries offer financial support for vehicle purchases, and most employ a mix of financial and non-financial incentives (such as access to restricted highway lanes) to help drive adoption. The Global EV Outlook is a unique and data-rich overview of the state of electric vehicles today, and offers an understanding of the electric vehicle landscape to 2020.

  10. β-γ and isomeric decay spectroscopy of 168Dy

    Directory of Open Access Journals (Sweden)

    Zhang G.X.

    2018-01-01

    Full Text Available This contribution will report on the experimental work on the level structure of 168Dy. The experimental data have been taken as part of the EURICA decay spectroscopy campaign at RIBF, RIKEN in November 2014. In the experiment, a 238U primary beam is accelerated up to 345 MeV/u with an average intensity of 12 pnA. The nuclei of interest are produced by in-flight fission of 238U impinging on Be target with a thickness of 5 mm. The excited states of 168Dy have been populated through the decay from a newly identified isomeric state and via the β decay from 168Tb. In this contribution, scientific motivations, experimental procedure and some preliminary results for this study are presented.

  11. β-γ and isomeric decay spectroscopy of 168Dy

    Science.gov (United States)

    Zhang, G. X.; Watanabe, H.; Kondev, F. G.; Lane, G. J.; Regan, P. H.; Söderström, P.-A.; Walker, P. M.; Kanaoka, H.; Korkulu, Z.; Lee, P. S.; Liu, J. J.; Nishimura, S.; Wu, J.; Yagi, A.; Ahn, D. S.; Alharbi, T.; Baba, H.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chae, K. Y.; Dombradi, Zs.; Doornenbal, P.; Estrade, A.; Fukuda, N.; Griffin, C.; Ideguchi, E.; Inabe, N.; Isobe, T.; Kanaya, S.; Kojouharov, I.; Kubo, T.; Kubono, S.; Kurz, N.; Kuti, I.; Lalkovski, S.; Lee, C. S.; Lee, E. J.; Lorusso, G.; Lotay, G.; Moon, C.-B.; Nishizuka, I.; Nita, C. R.; Odahara, A.; Patel, Z.; Phong, V. H.; Podolyák, Zs.; Roberts, O. J.; Sakurai, H.; Schaffner, H.; Shand, C. M.; Shimizu, Y.; Sumikama, T.; Suzuki, H.; Takeda, H.; Terashima, S.; Vajta, Zs.; Valiente-Dóbon, J. J.; Xu, Z. Y.

    2018-05-01

    This contribution will report on the experimental work on the level structure of 168Dy. The experimental data have been taken as part of the EURICA decay spectroscopy campaign at RIBF, RIKEN in November 2014. In the experiment, a 238U primary beam is accelerated up to 345 MeV/u with an average intensity of 12 pnA. The nuclei of interest are produced by in-flight fission of 238U impinging on Be target with a thickness of 5 mm. The excited states of 168Dy have been populated through the decay from a newly identified isomeric state and via the β decay from 168Tb. In this contribution, scientific motivations, experimental procedure and some preliminary results for this study are presented.

  12. Photochromic ruthenium sulfoxide complexes: evidence for isomerization through a conical intersection.

    Science.gov (United States)

    McClure, Beth Anne; Mockus, Nicholas V; Butcher, Dennis P; Lutterman, Daniel A; Turro, Claudia; Petersen, Jeffrey L; Rack, Jeffrey J

    2009-09-07

    The complexes [Ru(bpy)(2)(OS)](PF(6)) and [Ru(bpy)(2)(OSO)](PF(6)), where bpy is 2,2'-bipyridine, OS is 2-methylthiobenzoate, and OSO is 2-methylsulfinylbenzoate, have been studied. The electrochemical and photochemical reactivity of [Ru(bpy)(2)(OSO)](+) is consistent with an isomerization of the bound sulfoxide from S-bonded (S-) to O-bonded (O-) following irradiation or electrochemical oxidation. Charge transfer excitation of [Ru(bpy)(2)(OSO)](+) in MeOH results in the appearance of two new metal-to-ligand charge transfer (MLCT) maxima at 355 and 496 nm, while the peak at 396 nm diminishes in intensity. The isomerization is reversible at room temperature in alcohol or propylene carbonate solution. In the absence of light, solutions of O-[Ru(bpy)(2)(OSO)](+) revert to S-[Ru(bpy)(2)(OSO)](+). Kinetic analysis reveals a biexponential decay with rate constants of 5.66(3) x 10(-4) s(-1) and 3.1(1) x 10(-5) s(-1). Cyclic voltammograms of S-[Ru(bpy)(2)(OSO)](+) are consistent with electron-transfer-triggered isomerization of the sulfoxide. Analysis of these voltammograms reveal E(S)(o)' = 0.86 V and E(O)(o)' = 0.49 V versus Ag/Ag(+) for the S- and O-bonded Ru(3+/2+) couples, respectively, in propylene carbonate. We found k(S-->O) = 0.090(15) s(-1) in propylene carbonate and k(S-->O) = 0.11(3) s(-1) in acetonitrile on Ru(III), which is considerably slower than has been reported for other sulfoxide isomerizations on ruthenium polypyridyl complexes following oxidation. The photoisomerization quantum yield (Phi(S-->O) = 0.45, methanol) is quite large, indicating a rapid excited state isomerization rate constant. The kinetic trace at 500 nm is monoexponential with tau = 150 ps, which is assigned to the excited S-->O isomerization rate. There is no spectroscopic or kinetic evidence for an O-bonded (3)MLCT excited state in the spectral evolution of S-[Ru(bpy)(2)(OSO)](+) to O-[Ru(bpy)(2)(OSO)](+). Thus, isomerization occurs nonadiabatically from an S-bonded (or eta(2

  13. Thermal E/ Z Isomerization in First Generation Molecular Motors.

    Science.gov (United States)

    Kuwahara, Shunsuke; Suzuki, Yuri; Sugita, Naoya; Ikeda, Mari; Nagatsugi, Fumi; Harada, Nobuyuki; Habata, Yoichi

    2018-04-20

    Determination of a thermal E/ Z isomerization barrier of first generation molecular motors is reported. Stable ( E)-1a directly converts to stable ( Z)-1c without photochemical E/ Z isomerization. The activation Gibbs energy of the isomerization was determined to be 123 kJ mol -1 by circular dichroism spectral changes. Density functional theory calculations show that ( Z)-1c is ∼11.4 kJ mol -1 more stable than ( E)-1a.

  14. Markets Share Models for EVs

    DEFF Research Database (Denmark)

    Jensen, Thomas Christian; Christensen, Linda

    for the transport sector is announced to be a reduction of greenhouse gas emissions by 20% in 2020 compared to 2005. It is the plan to obtain part of this reduction through the EU targets of 10% renewable energy by 2020 in surface transport and a requirement for EU car producers to lower average CO2 emissions from...... to the end of 2015. More ambitious greenhouse gas reductions are announced and EV’s may contrib-ute to such targets. However, no specific target has been set for the share of electric vehicles. In order to investigate the potential role of electric vehicles (EVs), DTU transport has construct-ed a small car...

  15. Quantification of isomerically summed hydrocarbon contributions to crude oil by carbon number, double bond equivalent, and aromaticity using gas chromatography with tunable vacuum ultraviolet ionization.

    Science.gov (United States)

    Nowak, Jeremy A; Weber, Robert J; Goldstein, Allen H

    2018-03-12

    The ability to structurally characterize and isomerically quantify crude oil hydrocarbons relevant to refined fuels such as motor oil, diesel, and gasoline represents an extreme challenge for chromatographic and mass spectrometric techniques. This work incorporates two-dimensional gas chromatography coupled to a tunable vacuum ultraviolet soft photoionization source, the Chemical Dynamics Beamline 9.0.2 of the Advanced Light Source at the Lawrence Berkeley National Laboratory, with a time-of-flight mass spectrometer (GC × GC-VUV-TOF) to directly characterize and isomerically sum the contributions of aromatic and aliphatic species to hydrocarbon classes of four crude oils. When the VUV beam is tuned to 10.5 ± 0.2 eV, both aromatic and aliphatic crude oil hydrocarbons are ionized to reveal the complete chemical abundance of C 9 -C 30 hydrocarbons. When the VUV beam is tuned to 9.0 ± 0.2 eV only aromatic hydrocarbons are ionized, allowing separation of the aliphatic and aromatic fractions of the crude oil hydrocarbon chemical classes in an efficient manner while maintaining isomeric quantification. This technique provides an effective tool to determine the isomerically summed aromatic and aliphatic hydrocarbon compositions of crude oil, providing information that goes beyond typical GC × GC separations of the most dominant hydrocarbon isomers.

  16. Internal conversion of the (13/2+→5/2-) isomeric transition in 199Hg

    International Nuclear Information System (INIS)

    Radha Krishna, K.; Chandrasekhar Rao, M.V.S.; Sree Krishna Murty, G.; Venkateswara Rao, N.; Bhuloka Reddy, S.; Satyanarayana, G.; Sastry, D.L.; Iyer, M.R.; Sahasrabhude, S.G.

    1990-01-01

    The total conversion coefficient of the M4 transition (374 KeV) in the decay of the 13/2 + isomeric state to 5/2 - state in 199 Hg measured using the relative gamma intensity method α T is determined to be 6.34 ± 0.29 in agreement with the theory due to Rosel et al. (author). 1 tab., 3 figs., 11 refs

  17. Theoretical study of isomerization and decomposition of propenal

    International Nuclear Information System (INIS)

    Chin, Chih-Hao; Lee, Shih-Huang

    2011-01-01

    We investigated the dynamics of isomerization and multi-channel dissociation of propenal (CH 2 CHCHO), methyl ketene (CH 3 CHCO), hydroxyl propadiene (CH 2 CH 2 CHOH), and hydroxyl cyclopropene (cyclic-C 3 H 3 -OH) in the ground potential-energy surface using quantum-chemical calculations. Optimized structures and vibrational frequencies of molecular species were computed with method B3LYP/6-311G(d,p). Total energies of molecules at optimized structures were computed at the CCSD(T)/6-311+G(3df,2p) level of theory. We established the potential-energy surface for decomposition to CH 2 CHCO + H, CH 2 CH + HCO, CH 2 CH 2 /CH 3 CH + CO, CHCH/CH 2 C + H 2 CO, CHCCHO/CH 2 CCO + H 2 , CHCH + CO + H 2 , CH 3 + HCCO, CH 2 CCH + OH, and CH 2 CC/cyclic-C 3 H 2 + H 2 O. Microcanonical rate coefficients of various reactions of trans-propenal with internal energies 148 and 182 kcal mol -1 were calculated using Rice-Ramsperger-Kassel-Marcus and Variational transition state theories. Product branching ratios were derivable using numerical integration of kinetic master equations and the steady-state approximation. The concerted three-body dissociation of trans-propenal to fragments C 2 H 2 + CO + H 2 is the prevailing channel in present calculations. In contrast, C 3 H 3 O + H, C 2 H 3 + HCO and C 2 H 4 + CO were identified as major channels in the photolysis of trans-propenal. The discrepancy between calculations and experiments in product branching ratios indicates that the three major photodissociation channels occur mainly on an excited potential-energy surface whereas the other channels occur mainly on the ground potential-energy surface. This work provides profound insight in the mechanisms of isomerization and multichannel dissociation of the system C 3 H 4 O.

  18. Designing bifunctional alkene isomerization catalysts using predictive modelling

    NARCIS (Netherlands)

    Landman, I.R.; Paulson, E.R.; Rheingold, A.L.; Grotjahn, D.B.; Rothenberg, G.

    2017-01-01

    Controlling the isomerization of alkenes is important for the manufacturing of fuel additives, fine-chemicals and pharmaceuticals. But even if isomerization seems to be a simple unimolecular process, the factors that govern catalyst performance are far from clear. Here we present a set of models

  19. Stability and isomerization reactions of phenyl cation C{sub 6}H{sub 5}{sup +} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Dandan [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yang, Xue [College of Science, Jilin Institute of Chemical Technology, Jilin 132022 (China); Zhang, Xiaomei; Shan, Shimin [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Xu, Haifeng, E-mail: xuhf@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yan, Bing, E-mail: yanbing@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China)

    2016-03-01

    Highlights: • A total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations were obtained at density functional theory. • The stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers were performed. • The structures, frequencies, thermodynamic properties of isomers were summarized. • Ring to ring or chain isomerization pathways were investigated using IRC method. • Result shows reactions contain hydrogen transfer, bond broken and reconstruction. - Abstract: As a key polyatomic molecular cation that plays a pivotal role in growth of the polycyclic aromatic hydrocarbons, phenyl cation C{sub 6}H{sub 5}{sup +} exhibits various isomers and isomerization reactions. Investigation on the structure and stability of the isomers as well as the isomerization is important for better understanding the chemical reactions involving C{sub 6}H{sub 5}{sup +} cations. In this work, we have performed a theoretical study on the stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers at density functional theory B3LYP/6-311G (d, p) level. We have obtained a total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations, most of which are reported for the first time. The geometries, vibrational frequencies, thermodynamic properties and stability of 28 out of 60 isomers have been summarized in detail. Different ring-to-ring and ring-to-chain isomerization pathways, which are connected via 28 transition states, have been investigated using the intrinsic reaction coordinate method. The results show that the isomerization reactions occur via hydrogen migration followed by bond-breaking and reconstruction.

  20. Spontaneous Isomerization of Peptide Cation Radicals Following Electron Transfer Dissociation Revealed by UV-Vis Photodissociation Action Spectroscopy.

    Science.gov (United States)

    Imaoka, Naruaki; Houferak, Camille; Murphy, Megan P; Nguyen, Huong T H; Dang, Andy; Tureček, František

    2018-01-16

    Peptide cation radicals of the z-type were produced by electron transfer dissociation (ETD) of peptide dications and studied by UV-Vis photodissociation (UVPD) action spectroscopy. Cation radicals containing the Asp (D), Asn (N), Glu (E), and Gln (Q) residues were found to spontaneously isomerize by hydrogen atom migrations upon ETD. Canonical N-terminal [z 4 + H] +● fragment ion-radicals of the R-C ● H-CONH- type, initially formed by N-C α bond cleavage, were found to be minor components of the stable ion fraction. Vibronically broadened UV-Vis absorption spectra were calculated by time-dependent density functional theory for several [ ● DAAR + H] + isomers and used to assign structures to the action spectra. The potential energy surface of [ ● DAAR + H] + isomers was mapped by ab initio and density functional theory calculations that revealed multiple isomerization pathways by hydrogen atom migrations. The transition-state energies for the isomerizations were found to be lower than the dissociation thresholds, accounting for the isomerization in non-dissociating ions. The facile isomerization in [ ● XAAR + H] + ions (X = D, N, E, and Q) was attributed to low-energy intermediates having the radical defect in the side chain that can promote hydrogen migration along backbone C α positions. A similar side-chain mediated mechanism is suggested for the facile intermolecular hydrogen migration between the c- and [z + H] ● -ETD fragments containing Asp, Asn, Glu, and Gln residues. Graphical Abstract ᅟ.

  1. Spontaneous Isomerization of Peptide Cation Radicals Following Electron Transfer Dissociation Revealed by UV-Vis Photodissociation Action Spectroscopy

    Science.gov (United States)

    Imaoka, Naruaki; Houferak, Camille; Murphy, Megan P.; Nguyen, Huong T. H.; Dang, Andy; Tureček, František

    2018-01-01

    Peptide cation radicals of the z-type were produced by electron transfer dissociation (ETD) of peptide dications and studied by UV-Vis photodissociation (UVPD) action spectroscopy. Cation radicals containing the Asp (D), Asn (N), Glu (E), and Gln (Q) residues were found to spontaneously isomerize by hydrogen atom migrations upon ETD. Canonical N-terminal [z4 + H]+● fragment ion-radicals of the R-C●H-CONH- type, initially formed by N-Cα bond cleavage, were found to be minor components of the stable ion fraction. Vibronically broadened UV-Vis absorption spectra were calculated by time-dependent density functional theory for several [●DAAR + H]+ isomers and used to assign structures to the action spectra. The potential energy surface of [●DAAR + H]+ isomers was mapped by ab initio and density functional theory calculations that revealed multiple isomerization pathways by hydrogen atom migrations. The transition-state energies for the isomerizations were found to be lower than the dissociation thresholds, accounting for the isomerization in non-dissociating ions. The facile isomerization in [●XAAR + H]+ ions (X = D, N, E, and Q) was attributed to low-energy intermediates having the radical defect in the side chain that can promote hydrogen migration along backbone Cα positions. A similar side-chain mediated mechanism is suggested for the facile intermolecular hydrogen migration between the c- and [z + H]●-ETD fragments containing Asp, Asn, Glu, and Gln residues. [Figure not available: see fulltext.

  2. First isolation of enterovirus 71 (EV-71 from Northern Brazil

    Directory of Open Access Journals (Sweden)

    Lamarão Leticia Martins

    2003-01-01

    Full Text Available Enterovirus 71 (EV-71 has been associated to cases of neurological disease in many countries including Brazil. This virus has now been reported from three of the five Brazilian regions. Our study relates the findings concerning to the first isolate of this virus in Northern region of Brazil. A 15-month old female patient, from the rural zone of the municipality of Santana do Araguaia in southern Pará state was admitted at the hospital with acute, flaccid, asymmetric and ascending motor deficiency, located in the right lower limb. Stools samples from this child were inoculated in RD cells and was isolated an EV-71. We plan to sequence our strain and compare it to other isolates in Brazil. Differences at the molecular level can explain why EV-71 strains circulating in other continents, such as Asia, appear to be more virulent.

  3. Isomeric Detergent Comparison for Membrane Protein Stability

    DEFF Research Database (Denmark)

    Cho, Kyung Ho; Hariharan, Parameswaran; Mortensen, Jonas S.

    2016-01-01

    and utility, particularly for eukaryotic membrane proteins and membrane protein complexes. Thus, a number of new agents have been devised; some have made significant contributions to membrane protein structural studies. However, few detergent design principles are available. In this study, we prepared meta...... and ortho isomers of the previously reported para-substituted xylene-linked maltoside amphiphiles (XMAs), along with alkyl chain-length variation. The isomeric XMAs were assessed with three membrane proteins, and the meta isomer with a C12 alkyl chain was most effective at maintaining solubility....../stability of the membrane proteins. We propose that interplay between the hydrophile–lipophile balance (HLB) and alkyl chain length is of central importance for high detergent efficacy. In addition, differences in inter-alkyl-chain distance between the isomers influence the ability of the detergents to stabilise membrane...

  4. An infrared study of the nitro—nitrito linkage isomerization in solid nitro- and nitritopentamminecobalt(III) chloride

    Science.gov (United States)

    Heyns, A. M.; de Waal, D.

    1989-01-01

    The photochemical isomerization reaction of [Co(NH 3) 5NO 2]Cl 2 to [Co(NH 3) 5ONO]Cl 2 has been studied in the solid state by means of i.r. spectroscopy. The reaction is first order with k = 2.53±0.05 × 10 -4s -1 and is much faster ( t1/2=49min) than the well-known spontaneous nitrito → nitro isomerization ( t1/2 = 6 days). The i.r. bands of both the NH 3 and ONO - -groups in the range 4000-50 cm -1 indicate minor differences between the structures of freshly and photochemically prepared [Co(NH 3) 5ONO]Cl 2. The far i.r. spectra indicate the disorder existing in the intermediate products during the isomerization processes.

  5. Modulating the Physical and Electronic Properties over Positional Isomerism: The Dispirofluorene-Dihydroindacenodithiophene (DSF-IDT) Family.

    Science.gov (United States)

    Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Jeannin, Olivier; Rault-Berthelot, Joëlle; Poriel, Cyril

    2017-12-06

    We report the first studies on the intrinsic properties of a meta-substituted dihydroindacenodithienyl fragment and more generally the strong impact of positional isomerism on dihydroindacenodithiophene derivatives. The influence of the para and meta linkages has notably been highlighted not only for the electronic properties in solution (electrochemical properties, anodic polymerization, HOMO/LUMO energy levels, optical transitions, fluorescence spectra) but also on the physical properties in the solid state (molecular organization, crystallinity, and phase transitions). The positional isomerism hence appears to be a very efficient tool to drastically tune the properties of dihydroindacenodithiophene derivatives. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Graphene oxide catalyzed cis-trans isomerization of azobenzene

    Directory of Open Access Journals (Sweden)

    Dongha Shin

    2014-09-01

    Full Text Available We report the fast cis-trans isomerization of an amine-substituted azobenzene catalyzed by graphene oxide (GO, where the amine functionality facilitates the charge transfer from azobenzene to graphene oxide in contrast to non-substituted azobenzene. This catalytic effect was not observed in stilbene analogues, which strongly supports the existence of different isomerization pathways between azobenzene and stilbene. The graphene oxide catalyzed isomerization is expected to be useful as a new photoisomerization based sensing platform complementary to GO-based fluorescence quenching methods.

  7. Insights in the Rhodium-Catalyzed Tandem Isomerization-Hydroformylation of 10-Undecenitrile: Evidence for a Fast Isomerization Regime

    Directory of Open Access Journals (Sweden)

    Lucas Le Goanvic

    2018-04-01

    Full Text Available The tandem isomerization-hydroformylation of 10-undecenitrile (1 into the corresponding linear aldehyde (2 with a Rh-biphephos system was studied and the formation of internal olefin isomers (1-int-x was monitored over time. The existence of an “isomerization phenomenon” was evidenced, where fast isomerization of 1 into up to 70% of 1-int-x followed by fast back-isomerization of 1-int-x into 1 and, in turn, into 2 occurs. This fast dynamic isomerization regime is favored at high syngas pressure (40 bar and low biphephos-to-Rh ratio (5–10, and it is best observed at relatively high catalyst loadings ([1]0/[Rh] ≤ 3000. The latter regime is indeed evanescent, and gives place to a second stage in which isomerization of internal olefins (and eventual conversion into 2 proceeds much more slowly. The results are tentatively rationalized by the formation of an unstable species that promotes dynamic isomerization and which slowly vanishes or collapses into a Rh-biphephos species which is the one responsible for hydroformylation.

  8. Collective coordinates and an accompanying metric force in structural isomerization dynamics of molecules

    International Nuclear Information System (INIS)

    Yanao, Tomohiro; Takatsuka, Kazuo

    2003-01-01

    Structural isomerization dynamics of three- and four-atom clusters of vanishing total angular momentum is studied in terms of internal coordinates of n-body systems on the basis of a gauge theory. The so-called principal-axis hyperspherical coordinates are employed effectively as collective variables for the study of isomerization reactions. It turns out that the non-Euclidean metric on the internal space gives rise to a force, which works in response to internal motions called the democratic (kinematic) rotations in the internal space. This metric force generally tends to induce an asymmetry in mass balance of a system, and is coupled with the usual potential force to give rise to trapped motions in the vicinity of the transition states of the cluster. This observation provides a different perspective for the so-called recrossing problem in chemical reaction dynamics

  9. Yields and isomeric ratio of xenon and krypton isotopes from thermal neutron fission of 235U

    International Nuclear Information System (INIS)

    Hsu, S.S.; Lin, J.T.; Yang, C.M.; Yu, Y.W.

    1981-01-01

    The experimental cumulative yields of 85 Kr/sup m/, 87 Kr, 88 Kr, 133 Xe/sup g/, 135 Xe/sup m/, and 135 Xe/sup g/ and the independent isomeric yield of 133 Xe/sup m/ in the thermal neutron fission of 235 U have been measured by the gas chromatographic method. The independent yields of 133 Xe/sup g/, 135 Xe/sup m/, and 135 Xe/sup g/ were deduced with the aid of 133 I and 135 I data. The isomeric yield ratios of 133 Xe and 135 Xe have been computed and compared with theoretical values since they have the same high spin state J = 11/2 - and low spin ground state J = 3/2 + . The influence of the shell effect on the fission isomeric yield ratio is discussed. From the measured independent yield of Xe isotopes plus the reported data, the Xe-isotopic distribution curve has been constructed. The curve is compared with the isotopic distribution curves of Xe isotopes formed in 11.5 GeV proton interactions with 238 U and Cs isotopes formed in 24 GeV proton interactions with 238 U. Upon fitting the yield curves we find that only those products with N/Z> or =1.48 fit a curve typical of a binary fission process

  10. K isomerism and collectivity in neutron-rich rare-earth isotopes

    Science.gov (United States)

    Patel, Zena

    Neutron-rich rare-earth isotopes were produced by in-flight fission of 238U ions at the Radioactive Isotope Beam Factory (RIBF), RIKEN, Japan. In-flight fission of a heavy, high-intensity beam of 238U ions on a light target provides the cleanest secondary beams of neutron-rich nuclei in the rare-earth region of isotopes. In-flight fission is advantageous over other methods of nuclear production, as it allows for a secondary beam to be extracted, from which the beam species can be separated and identified. The excited states of nuclei are studied by delayed isomeric or beta-delayed gamma-ray spectroscopy. New K isomers were found in Sm (Z=62), Eu (Z=63), and Gd (Z=64) isotopes. The key results are discussed here. Excited states in the N=102 isotones 166Gd and 164Sm have been observed following isomeric decay for the first time. The K-isomeric states in 166Gd and 164Sm are due to 2-quasiparticle configurations. Based on the decay patterns and potential energy surface calculations, including beta6 deformation, both isomers are assigned a (6-) spin-parity. The half-lives of the isomeric states have been measured to be 950(60)ns and 600(140)ns for 166Gd and 164Sm respectively. Collective observables are discussed in light of the systematics of the region, giving insight into nuclear shape evolution. The decrease in the ground state band energies of 166Gd and 164Sm (N=102) compared to 164Gd and 162Sm (N=100) respectively, presents evidence for the predicted deformed shell closure at N=100. A 4-quasiparticle isomeric state has been discovered in 160Sm: the lightest deformed nucleus with a 4-quasiparticle isomer to date. The isomeric state is assigned an (11+) spin-parity with a measured half-life of 1.8(4)us. The (11+) isomeric state decays into a rotational band structure, based on a (6-) v5/2-[523] ⊗ v7/2+[633] bandhead, determined from the extracted gK-gR values. Potential energy surface and blocked BCS calculations were performed in the deformed midshell region

  11. Synthesis and Characterisation of Eight Isomeric Bis(2-pyridyloxynaphthalenes

    Directory of Open Access Journals (Sweden)

    Peter J. Steel

    2006-09-01

    Full Text Available Eight isomeric bis(2-pyridyloxynaphthalenes have been prepared from reactions of 2-bromopyridine with the appropriate dihydroxynaphthalene and the products fully characterised by 1- and 2-D NMR spectroscopy.

  12. {sup 13}C-NMR studies on disulfide bond isomerization in bovine pancreatic trypsin inhibitor (BPTI)

    Energy Technology Data Exchange (ETDEWEB)

    Takeda, Mitsuhiro [Kumamoto University, Department of Structural BioImaging, Faculty of Life Sciences (Japan); Miyanoiri, Yohei [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan); Terauchi, Tsutomu [Tokyo Metropolitan University, Graduate School of Science and Engineering (Japan); Kainosho, Masatsune, E-mail: kainosho@tmu.ac.jp [Nagoya University, Structural Biology Research Center, Graduate School of Science (Japan)

    2016-09-15

    Conformational isomerization of disulfide bonds is associated with the dynamics and thus the functional aspects of proteins. However, our understanding of the isomerization is limited by experimental difficulties in probing it. We explored the disulfide conformational isomerization of the Cys14–Cys38 disulfide bond in bovine pancreatic trypsin inhibitor (BPTI), by performing an NMR line-shape analysis of its Cys carbon peaks. In this approach, 1D {sup 13}C spectra were recorded at small temperature intervals for BPTI samples selectively labeled with site-specifically {sup 13}C-enriched Cys, and the recorded peaks were displayed in the order of the temperature after the spectral scales were normalized to a carbon peak. Over the profile of the line-shape, exchange broadening that altered with temperature was manifested for the carbon peaks of Cys14 and Cys38. The Cys14–Cys38 disulfide bond reportedly exists in equilibrium between a high-populated (M) and two low-populated states (m{sub c14} and m{sub c38}). Consistent with the three-site exchange model, biphasic exchange broadening arising from the two processes was observed for the peak of the Cys14 α-carbon. As the exchange broadening is maximized when the exchange rate equals the chemical shift difference in Hz between equilibrating sites, semi-quantitative information that was useful for establishing conditions for {sup 13}C relaxation dispersion experiments was obtained through the carbon line-shape profile. With respect to the m{sub c38} isomerization, the {sup 1}H-{sup 13}C signals at the β-position of the minor state were resolved from the major peaks and detected by exchange experiments at a low temperature.

  13. Isomerizations of the Nitromethane Radical Cation in the Gas Phase

    DEFF Research Database (Denmark)

    Egsgaard, Helge; Carlsen, Lars; Elbel, Susanne

    1986-01-01

    The concurrent isomerizations of the nitromethane radical cation to its aci-nitromethane and methylnitrite isomers, respectively, has been established based on metastable ion studies and collision activation mass spectrometry. The energy diagram for the ionized nitromethane/aci-nitromethane tauto......The concurrent isomerizations of the nitromethane radical cation to its aci-nitromethane and methylnitrite isomers, respectively, has been established based on metastable ion studies and collision activation mass spectrometry. The energy diagram for the ionized nitromethane...

  14. Dissociative photoionization of IBr following I(4d) and Br(3d) inner-shell excitations in the range of 60 ∼ 133 eV: remarkable biased charge spread relevant to the core-hole states

    International Nuclear Information System (INIS)

    Boo, Bong Hyun; Koyano, Inosuke

    2002-01-01

    Dissociative photoionization of an interhalogen molecule, iodine monobromide (IBr), spanning the I(4d) and the Br(3d) inner-shell excitation/ionization regions has been studied by using time-of-flight (TOF) mass spectrometry coupled to synchrotron radiation in the range of 60 ∼ 133 eV. The total and the individual photoion yields have been recorded as functions of the photon energy. Here, a giant shape resonance has been observed owing to the I(4d 10 ) →I(4d 9 εf) transition, the transition probability for which outweighs that for the Br(3d 10 ) →Br(3d 9 εf) excitation. In addition to the huge resonance, discrete resonances owing to the Br(3d) -1 IBr(4pσ + ) and the Br(3d -1 )Br(5p) transitions, with very weak intensities, are observed at 70.5 and 73.6 eV and have spin-orbit splittings of = 1.0 and = 0.9 eV, respectively. The dissociation processes of singly and doubly charged parent ions have also been evaluated from the variations of the individual ion and photoion-photoion coincidence (PIPICO) yields with the photon energy. Below the Br(3d) threshold, including the Br(3d) discrete excitation region, 60 + and I 2+ ions are exclusively formed with a trace number of Br + ions. Slightly above the Br(3d) threshold, more specifically at 77.5 eV, however, photoionization events leading to the formations of Br + and Br 2- prevail. At higher energies beyond the Br(3d) threshold, 78 + and I 2+ turn out to exceed again those for Br + and Br 2+ , respectively. Over the entire energy range examined, a remarkable biased charge spread in dissociative photoionization events is observed, presumably reflecting the fact that charge localized mostly in the excited atoms relevant to the specific inner-shell excitation, which can be accounted for mainly by a two-step decay process via a fast dissociation followed by autoionization upon vuv absorption

  15. Study of the photochemical isomerization of ergosterol

    International Nuclear Information System (INIS)

    Mermet-Bouvier, Rene

    1972-01-01

    The photochemical reaction scheme of Ergosterol-Vitamin D 2 was studied. The schemes proposed in published literature are described together with earlier methods used for the analysis and determination. The method used is then discussed. In the first part, the factors concerning the changes occurring in molecular systems exposed to radiation, and the formalism used, are examined. Investigations of linear molecular systems and their applications to the reaction scheme of Ergosterol-Vitamin D 2 are discussed. The properties which enable the last three reaction schemes proposed in the literature to be distinguished are described. In the second part, the experimental analytical methods and the determinations made of the different isomers formed are presented. Chromatographic techniques (thin films, columns, gaseous phase) suitable for separating the various isomeric species are used. The existence of 8 isomers was established as well as a transformation occurring in one of them. The ultraviolet and infrared spectra were obtained. A reaction scheme is proposed (in which all the quantum yield values are given) from comparisons between the calculated and experimental values of the eigenvalue of the absolute minimum value λ m and the eigenvector corresponding to V m . (author) [fr

  16. Global EV Outlook: Understanding the Electric Vehicle Landscape to 2020

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-06-01

    The Global EV Outlook represents the collective efforts of two years of primary data gathering and analysis from the Electric Vehicles Initiative (EVI) and IEA. Key takeaways and insights include landscape analysis of electric vehicle (EV) stock/sales and charging station deployment. Existing policy initiatives are delineated and future opportunities highlighted in an ''Opportunity Matrix: Pathways to 2020''. Together EVI countries accounted for more than 90% of world EV stock at the end of 2012. Strong government support in EVI countries on both the supply and demand sides are contributing to rising market penetration. 12 out of 15 EVI countries offer financial support for vehicle purchases, and most employ a mix of financial and non-financial incentives (such as access to restricted highway lanes) to help drive adoption. The Global EV Outlook is a unique and data-rich overview of the state of electric vehicles today, and offers an understanding of the electric vehicle landscape to 2020.

  17. Discussion of isomeric ratios in (p, n) and (d, 2n) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Bakhshiyan, T. M., E-mail: tiruhi44@mail.ru [Yerevan State University (Armenia)

    2016-01-15

    Isomeric ratios (IR) in the (p, n) and (d, 2n) reactions are considered. The dependence of IR values on the projectile type and energy, the target- and product-nucleus spin, the spin difference between the isomeric and ground states of products, and the product mass number is discussed. The isomeric ratios for 46 product nuclei (from {sup 44m,g}Sc to {sup 127m,g}Xe) obtained in reactions where target and product nuclei have identical mass numbers were calculated at energies from the reaction threshold to 50 MeV (with a step of ΔE = 1 MeV). The calculations in question were performed with the aid of the TALYS 1.4 code package. The calculated IR values were compared with their experimental counterparts available from the literature (EXFOR database). In the majority of cases, the calculated IR values agree well with the experimental data in question. It is noteworthy that the IR values obtained in (d, 2n) reactions are substantially greater than those in (p, n) reactions.

  18. Molecular isomerization induced by ultrashort infrared pulses. II. Pump-dump isomerization using pairs of time-delayed half-cycle pulses.

    Science.gov (United States)

    Uiberacker, Christoph; Jakubetz, Werner

    2004-06-22

    We investigate population transfer across the barrier in a double-well potential, induced by a pair of time-delayed single-lobe half-cycle pulses. We apply this setup both to a one-dimensional (1D) quartic model potential and to a three-dimensional potential representing HCN-->HNC isomerization. Overall the results for the two systems are similar, although in the 3D system some additional features appear not seen in the 1D case. The generic mechanism of population transfer is the preparation by the pump pulse of a wave packet involving delocalized states above the barrier, followed by the essentially 1D motion of the delocalized part of wave packet across the barrier, and the eventual de-excitation by the dump pulse to localized states in the other well. The correct timing is given by the well-to-well passage time of the wave packet and its recurrence properties, and by the signs of the field lobes which determine the direction and acceleration or deceleration of the wave packet motion. In the 3D system an additional pump-pump-dump mechanism linked to wave packet motion in the reagent well can mediate isomerization. Since the transfer time and the pulse durations are of the same order of magnitude, there is also a marked dependence of the dynamics and the transfer yield on the pulse duration. Our analysis also sheds light on the pronounced carrier envelope phase dependence previously observed for isomerization and molecular dissociation with one-cycle and sub-one-cycle pulses. (c) 2004 American Institute of Physics.

  19. Information on 'Shikoku EV Rally Festival 99' and analysis of participating EVs

    Energy Technology Data Exchange (ETDEWEB)

    Miyashita, K. [Naruto Univ. of Education, Takashima (Japan)

    2000-07-01

    A 3 day rally was held in August 1999 in the city of Shikoku, Japan to bring electric vehicles (EVs) to the public's attention. A total of 39 EVs from 3 production series participated. This included 29 EVs converted from internal combustion engine vehicles, 5 prototype EVs and 2 hybrid electric vehicles. Thirty seven of the EVs used lead-acid batteries, one used nickel-metal hydride batteries and one used lithium-ion batteries. Each one was charged using one outlet of 3 phase 200 V, 1 phase 200 V or 1 phase 100 V at temporary charging facilities. The 340 km course ran through the city and in mountainous regions. The EVs were driven according to normal traffic rules. At the end of the rally, each EV was evaluated for their performance, hill climbing ability, and re-charging time. Several of the converted EVs drove for more than 50 km through mountainous regions using lead-acid batteries. It was determined that the poor range of EVs can be improved by an efficient daily re-charge. refs.

  20. Improving gasoline quality produced from MIDOR light naphtha isomerization unit

    Directory of Open Access Journals (Sweden)

    M.F. Mohamed

    2017-03-01

    Full Text Available Isomerization process became one of the best gasoline production sources, as it gives a high octane product while saving environment from pollution impacts. This paper presents a practical study that aims to improve the gasoline quality and economic income of an existing light naphtha isomerization unit used for octane improvement. The study included selecting the optimum combination of isomerization unit equipment that gives better product specifications for a specified feed. Eight scenarios were studied and simulated to predict the product specs. The original studied unit is MIDOR light naphtha isomerization unit at Alexandria-Egypt that recycles the unconverted hexane (C6. The other studied scenarios were adding fractionators for separating feed iso-pentanes, and recycling unconverted pentanes, hexanes and/or combinations of these fractionators. The results show a change in octane number of gasoline product for a specific feed. Once through process with no extra fractionators has lower octane number of 81 while that with de-iso-pentanizer–de-pentanizer and de-hexanizer produces gasoline with 92.3 octane number. Detailed economic study was done to calculate the return on investment “ROI” for each process option based on equipment, utilities, feed and product prices. Once through simple isomerization unit had the lowest ROI of 14.3% per year while the combination of De-iso-pentanizer with the De-hexanizer had the best ROI of 26.6% per year.

  1. KAKOVOST OTROŠKIH AVTOSEDEŽEV

    OpenAIRE

    Pavlin, Valentina

    2011-01-01

    Namen diplomskega dela je podati predloge za izboljšanje nivoja poznavanja kakovosti v povezavi z uporabnostjo otroških avtosedežev. S pomočjo anketnega vprašalnika smo pridobili pomembna mnenja uporabnikov o otroških avtosedežih. Raziskava je vključevala 50 anketirancev, ki so bili naključno izbrani v eni izmed otroških trgovin. Rezultati ankete so pokazali, da uporabniki osnovno znanje o kakovosti otroških avtosedežev imajo. Na prvo mesto uvrščajo kakovost in varnost, najmanj pa se...

  2. ICT Solutions to Support EV Deployment

    DEFF Research Database (Denmark)

    Pedersen, Anders Bro; Andersen, Peter Bach; Skov Johansen, Joachim

    2013-01-01

    Numerous studies and projects have proven that the electric vehicle can offer value and services that go beyond its function as a means of transportation. The value and services can, for instance, be the reduction of charging costs, adherence to grid constraints, or adjustment of charging behavior...... utilization concepts for EVs and be harmonized to obtain interoperability among numerous electric vehicle (EV) and electric vehicle supply equipment from original equipment manufacturers. This chapter describes contemporary Smart Grid communication methods in terms of requirements and specific solutions...

  3. Fachagentur Nachwachsende Rohstoffe e.V. (FNR). Annual report 1999/2000; Fachagentur Nachwachsende Rohstoffe e.V. (FNR). Jahresbericht 1999/2000

    Energy Technology Data Exchange (ETDEWEB)

    Schuette, A.

    2001-07-01

    The annual report of the Fachagentur Nachwachsende Rohstoffe e.V. outlines the state of the art and the boundary conditions of energy plant utilisation. The organisational struture of the association and its research projects are presented. [German] Der Jahresbericht der Fachagentur Nachwachsende Rohstoffe e.V. stellt Stand der Technik und Rahmenbedingungen fuer die Verwendung von Energiepflanzen dar. Die Organisation des Vereins sowie die gefoerderten Forschungsprojekte werden vorgestellt.

  4. EV Charging Analysis with High EV Penetration in the Nordic Region

    DEFF Research Database (Denmark)

    Liu, Zhaoxi; Wu, Qiuwei

    This report covers the driving pattern analysis and the electric vehicle (EV) charging ananlysis of Denmark, Sweden, Norway and Finland. The contents in the report are driving pattern analysis of the passenger cars and electrical charging load profiles of EVs based on the analyzed driving patterns...

  5. Radiochemical study of isomerization of free butyl cations

    International Nuclear Information System (INIS)

    Sinotova, E.N.; Nefedov, V.D.; Skorokhodov, S.S.; Arkhipov, Yu.M.

    1987-01-01

    Ion-molecular reactions of free butyl cations, generated by nuclear chemical method, with carbon monoxide containing small quantities of ethanol vapors are studied. Carbon monoxide was used to fix instable butyl cations in the form of corresponding acyl ions. Ester of α-methyl-butyric acid appears to be the only product of free butyl cation interaction with carbon monoxide in the presence of ethanol vapors. That means, that up to the moment of butyl cation reaction with carbon monoxide, the primary butyl cations are almost completely isomerized into secondary in agreement with results of previous investigations. This allows one to study free butyl cation isomerization process according to ion-molecular reaction product isomeric composition

  6. Contribution to the experimental survey of the nuclear isomerism. Application of the deferred coincidences method to research and to the survey of metastable states of short period; Contribution a l'etude experimentale de l'isomerie nucleaire. Application de la methode des coincidences differees a la recherche et a l'etude d'etats metastables de periode courte

    Energy Technology Data Exchange (ETDEWEB)

    Ballini, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1953-06-15

    Various methods of the physics brought many informations on the nuclear elements which one can arrange some ponderable quantities, what is the case of the steady elements and some, unsteady elements, as most of natural radioelements. On the other hand, elements of shorter life duration, and notably those that are carried to an excited state, are more badly known, and one can get information to their consideration that by the mediator of the properties of the transitions that they undergo, when they give birth has best-known nuclear cash: among these transitions represent the isomeric transitions. The goal of this work is the survey of the isomeric transitions from metastable states of short period, included in the domain of the microsecond to some milliseconds. The method of the deferred coincidences has been put to the point and applied in this goal while using the advantages of the selectors to several channels, under two main aspects where the device to several channels was either a selector of time, either a selector of amplitudes. This method served to study the working of Geiger-Muller counter and to measure with precision the period of {sup 181}Ta{sup *} in of the varied experimental conditions. The adopted value is 17,2 {+-}0,2 {mu}s. This work also found an immediate practical application to the setting in evidence of very weak quantities of hafnium in zirconium, of which it constitutes a tenacious and difficult impurity to analyze by the ordinary ways. (M.B.) [French] Les diverses methodes de la physique ont apporte de nombreux renseignements sur les especes nucleaires dont on peut disposer en quantites ponderables, ce qui est le cas des especes stables et de certaines especes instables, comme la plupart des radioelements naturels. Par contre, les noyaux de duree de vie plus courte, et notamment ceux qui sont portes a un etat excite, sont plus mal connus, et on ne peut obtenir de renseignements a leur egard que par l'intermediaire des proprietes des

  7. EV Everywhere Grand Challenge Road to Success

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    2014-01-31

    Initial progress report for EV Everywhere. The report highlights the significant cost reduction in batteries in 2014, which will enable increased PEV affordability for consumers. Also, the efforts on increasing the convenience of PEVs through the Workplace Charging Challenge, which called on U.S. employers to help develop the nation's charging infrastructure.

  8. Evaluation of isomeric excitation functions in neutron induced reactions

    International Nuclear Information System (INIS)

    Grudzevich, O.; Ignatyuk, A.; Zolotarev, K.

    1992-01-01

    The possibilities of isomer levels experimental excitation functions description with theoretical models are discussed. It is shown that the experimental data in many cases can be described by theoretical models quite well without parameter fitting. However, large discrepancies are observed for some reactions. In our opinion, these discrepancies are due to uncertainties of discrete level schemes, schemes of gamma-transitions between levels and spin dependence of level density. Small values of isomeric ratios (< 0.1) have been described with the largest errors. The simple formulae for energy dependence of isomeric ratio for (n,g) reaction has been proposed. (author). 53 refs, 10 figs, 8 tabs

  9. cis–trans Isomerization of silybins A and B

    Directory of Open Access Journals (Sweden)

    Michaela Novotná

    2014-05-01

    Full Text Available Methods were developed and optimized for the preparation of the 2,3-cis- and the 10,11-cis-isomers of silybin by the Lewis acid catalyzed (BF3∙OEt2 isomerization of silybins A (1a and B (1b (trans-isomers. The absolute configuration of all optically pure compounds was determined by using NMR and comparing their electronic circular dichroism data with model compounds of known absolute configurations. Mechanisms for cis–trans-isomerization of silybin are proposed and supported by quantum mechanical calculations.

  10. β decay and isomeric properties of neutron-rich Ca and Sc isotopes

    International Nuclear Information System (INIS)

    Crawford, H. L.; Mantica, P. F.; Berryman, J. S.; Stoker, J. B.; Janssens, R. V. F.; Carpenter, M. P.; Kay, B. P.; Lauritsen, T.; Zhu, S.; Broda, R.; Cieplicka, N.; Fornal, B.; Grinyer, G. F.; Minamisono, K.; Hoteling, N.; Stefanescu, I.; Walters, W. B.

    2010-01-01

    The isomeric and β-decay properties of neutron-rich 53-57 Sc and 53,54 Ca nuclei near neutron number N=32 are reported, and the low-energy level schemes of 53,54,56 Sc and 53-57 Ti are presented. The low-energy level structures of the 21 Sc isotopes are discussed in terms of the coupling of the valence 1f 7/2 proton to states in the corresponding 20 Ca cores. Implications with respect to the robustness of the N=32 subshell closure are discussed, as well as the repercussions for a possible N=34 subshell closure.

  11. Isomeric N-Annulated Perylene Diimide Dimers for Organic Solar Cells.

    Science.gov (United States)

    Ma, Zetong; Fu, Huiting; Meng, Dong; Jiang, Wei; Sun, Yanming; Wang, Zhaohui

    2018-04-16

    Two isomeric N-annulated perylene diimide dimers, namely, p-BDNP and m-BDNP were designed and synthesized via geometric tuning. The distinct molecular geometry and packing arrangements of isomers with almost identical optical and electrochemical properties rendered us an in-depth understanding of the molecular structure-aggregation state-photovoltaic performance relationship. Blended with the commercially available donor PCE-10, p-BDNP and m-BDNP showed distinct differences in photovoltaic performance with power conversion efficiencies (PCEs) of 5.01 % and 4.15 %, respectively. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. System Architecture Design for Electric Vehicle (EV) Systems

    DEFF Research Database (Denmark)

    Xu, Zhao; Wu, Qiuwei; Nielsen, Arne Hejde

    2010-01-01

    The electric vehicle (EV) system should fulfill the energy needs of EVs to meet the EV users’ driving requirements and enable the system service from EVs to support the power system operation with high penetration of renewable energy resources (RES) by providing necessary infrastructures. In orde...

  13. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    Science.gov (United States)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-12-01

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S0) electronic state has been constructed by fitting ˜37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm-1. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm-1 above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

  14. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    International Nuclear Information System (INIS)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-01-01

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S 0 ) electronic state has been constructed by fitting ∼37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm −1 . The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm −1 above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction

  15. How Do The EV Project Participants Feel about Charging Their EV at Home?

    Energy Technology Data Exchange (ETDEWEB)

    Francfort, James E. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-02-01

    Key Observations from the Survey of the EV Project Participants; In June 2013, 72% of EV Project participants were very satisfied with their home charging experience; 21% of participants relied totally on home charging for all of their charging needs; Volt owners relied more on home charging than Leaf owners, who reported more use of away-from-home charging; 74% of participants reported that they plug in their plug-in electric vehicle (PEV) every time they park at home. Others plugged in as they determined necessary to support their driving needs; 40% of participants reported that they would not have or are unsure that in June 2013 whether they would have purchased an alternating current (AC) Level 2 electric vehicle supply equipment (EVSE) for home charging if it had not been provided by The EV Project; and 61% of participants reported that The EV Project incentive was very important or important in their decision to obtain a PEV.

  16. Activation cross section and isomeric cross section ratios for the (n ,2 n ) reaction on 153Eu

    Science.gov (United States)

    Luo, Junhua; Jiang, Li; Li, Suyuan

    2017-10-01

    The 153Eu(n ,2 n ) m1,m2,g152Eu cross section was measured by means of the activation technique at three neutron energies in the range 13-15 MeV. The quasimonoenergetic neutron beam was formed via the 3H(d ,n ) 4He reaction, in the Pd-300 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The cross section of the population of the second high-spin (8-) isomeric state was measured along with the reaction cross section populating both the ground (3-) and the first isomeric state (0-). Cross sections were also evaluated theoretically using the numerical code TALYS-1.8, with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

  17. Avastamata aarete päev

    Index Scriptorium Estoniae

    2009-01-01

    Ettevõtluse Arendamise Sihtasutus korraldas Pirita Lillepaviljonis Euroopa Komisjoni ning majandus- ja kommunikatsiooniministeeriumi toetusel 27. mail 2009 Avastamata aarete päeva. Päev oli pühendatud Eesti looduse väärtustamisele. Sõna võtsid EAS Turismiarenduskeskuse direktori asetäitja Marje Braunbrück, looduse- ja rännumees Hendrik Relve, Tallinna Ülikooli rekreatsiooniteaduste osakonna juhataja Mart Reimann ja reisikorraldaja Gerald Broddelez

  18. Evaluation of excitation functions for isomeric levels in neutron reactions

    International Nuclear Information System (INIS)

    Grudzevich, O.T.; Zelenetskij, A.V.; Zolotarev, K.I.; Kornilov, N.V.; Pashchenko, A.B.

    1993-07-01

    The authors consider the use of theoretical models to describe experimental excitation functions for isomeric levels in neutron reactions and to predict the cross-sections when no experimental data are available. It is shown that, in many cases, experimental data can be described quite satisfactorily by calculations without adjustment of parameters. For threshold reactions at a neutron energy of ∼ 14 MeV the agreement between calculated and experimental isomeric ratios is ∼ 20%, and is determined mainly by errors in the experimental ratios. However, for some reactions there are considerable differences between experimental and calculated data, which are due, in the authors' opinion, to uncertainties in the schemes of the low-lying levels and of gamma transitions between levels and to the spin dependence of level density. The small isomeric ratio values R<0.1 are described with the lowest accuracy. A formula is suggested for the energy dependence of the isomeric ratio in the (n,γ) reaction. (author)

  19. cis-trans Isomerization of silybins A and B

    Czech Academy of Sciences Publication Activity Database

    Novotná, Michaela; Gažák, Radek; Biedermann, David; Di Meo, F.; Marhol, Petr; Kuzma, Marek; Bednárová, Lucie; Fuksová, Kateřina; Trouillas, P.; Křen, Vladimír

    -, č. 10 (2014), s. 1047-1063 ISSN 1860-5397 R&D Projects: GA ČR GAP207/10/0288; GA MŠk LH13097; GA MŠk(CZ) LD13041 Institutional support: RVO:61388971 ; RVO:61388963 Keywords : isomerization * silibinin * silybin Subject RIV: CC - Organic Chemistry Impact factor: 2.762, year: 2014

  20. Isomerization of β-carotene by titanium tetrachloride catalyst

    Indian Academy of Sciences (India)

    TECS

    2007-05-04

    May 4, 2007 ... antioxidant because of the presence of a long chain of conjugated carbon-carbon double bonds. ... such as extraction, chromatography etc. It has been reported that the chlorinated solvents can promote isomerization of trans conjugated polyenes such as β-carotene during extraction.5. Also, the isomeriza-.

  1. Isomerization of 2-phospha-4-silabicyclo[1.10]butane

    NARCIS (Netherlands)

    Slootweg, J.C.; Ehlers, A.W.; Lammertsma, K.

    2004-01-01

    In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically

  2. Second-chance forward isomerization dynamics of the red/green cyanobacteriochrome NpR6012g4 from Nostoc punctiforme.

    Science.gov (United States)

    Kim, Peter W; Freer, Lucy H; Rockwell, Nathan C; Martin, Shelley S; Lagarias, J Clark; Larsen, Delmar S

    2012-01-11

    The primary ultrafast Z-to-E isomerization photodynamics of the phytochrome-related cyanobacteriochrome NpR6012g4 from Nostoc punctiforme was studied by transient absorption pump-dump-probe spectroscopy. A 2 ps dump pulse resonant with the stimulated emission band depleted 21% of the excited-state population, while the initial photoproduct Lumi-R was depleted by only 11%. We observed a red-shifted ground-state intermediate (GSI) that we assign to a metastable state that failed to isomerize fully. Multicomponent global analysis implicates the generation of additional Lumi-R from the GSI via crossing over the ground-state thermal barrier for full isomerization, explaining the discrepancy between excited-state and Lumi-R depletion by the dump pulse. This second-chance ground-state dynamics provides a plausible explanation for the unusually high quantum yield of 40% for the primary isomerization step in the forward reaction of NpR6012g4. © 2011 American Chemical Society

  3. First spatial separation of a heavy ion isomeric beam with a multiple-reflection time-of-flight mass spectrometer

    Science.gov (United States)

    Dickel, T.; Plaß, W. R.; Ayet San Andres, S.; Ebert, J.; Geissel, H.; Haettner, E.; Hornung, C.; Miskun, I.; Pietri, S.; Purushothaman, S.; Reiter, M. P.; Rink, A.-K.; Scheidenberger, C.; Weick, H.; Dendooven, P.; Diwisch, M.; Greiner, F.; Heiße, F.; Knöbel, R.; Lippert, W.; Moore, I. D.; Pohjalainen, I.; Prochazka, A.; Ranjan, M.; Takechi, M.; Winfield, J. S.; Xu, X.

    2015-05-01

    211Po ions in the ground and isomeric states were produced via 238U projectile fragmentation at 1000 MeV/u. The 211Po ions were spatially separated in flight from the primary beam and other reaction products by the fragment separator FRS. The ions were energy-bunched, slowed-down and thermalized in a gas-filled cryogenic stopping cell (CSC). They were then extracted from the CSC and injected into a high-resolution multiple-reflection time-of-flight mass spectrometer (MR-TOF-MS). The excitation energy of the isomer and, for the first time, the isomeric-to-ground state ratio were determined from the measured mass spectrum. In the subsequent experimental step, the isomers were spatially separated from the ions in the ground state by an ion deflector and finally collected with a silicon detector for decay spectroscopy. This pioneering experimental result opens up unique perspectives for isomer-resolved studies. With this versatile experimental method new isomers with half-lives longer than a few milliseconds can be discovered and their decay properties can be measured with highest sensitivity and selectivity. These experiments can be extended to studies with isomeric beams in nuclear reactions.

  4. A comprehensive mechanistic picture of the isomerizing alkoxycarbonylation of plant oils

    KAUST Repository

    Roesle, Philipp

    2014-12-03

    Theoretical studies on the overall catalytic cycle of isomerizing alkoxycarbonylation reveal the steric congestion around the diphosphine coordinated Pd-center as decisive for selectivity and productivity. The energy profile of isomerization is flat with diphosphines of variable steric bulk, but the preference for the formation of the linear Pd-alkyl species is more pronounced with sterically demanding diphosphines. CO insertion is feasible and reversible for all Pd-alkyl species studied and only little affected by the diphosphine. The overall rate-limiting step associated with the highest energetic barrier is methanolysis of the Pd-acyl species. Considering methanolysis of the linear Pd-acyl species, whose energetic barrier is lowest within all the Pd-acyl species studied, the barrier is calculated to be lower for more congesting diphosphines. Calculations indicate that energy differences of methanolysis of the linear versus branched Pd-acyls are more pronounced for more bulky diphosphines, due to involvement of different numbers of methanol molecules in the transition state. Experimental studies under pressure reactor conditions showed a faster conversion of shorter chain olefin substrates, but virtually no effect of the double bond position within the substrate. Compared to higher olefins, ethylene carbonylation under identical conditions is much faster, likely due not just to the occurrence of reactive linear acyls exclusively but also to an intrinsically favorable insertion reactivity of the olefin. The alcoholysis reaction is slowed down for higher alcohols, evidenced by pressure reactor and NMR studies. Multiple unsaturated fatty acids were observed to form a terminal Pd-allyl species upon reaction with the catalytically active Pd-hydride species. This process and further carbonylation are slow compared to isomerizing methoxycarbonylation of monounsaturated fatty acids, but selective.

  5. A comprehensive mechanistic picture of the isomerizing alkoxycarbonylation of plant oils.

    Science.gov (United States)

    Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan

    2014-12-03

    Theoretical studies on the overall catalytic cycle of isomerizing alkoxycarbonylation reveal the steric congestion around the diphosphine coordinated Pd-center as decisive for selectivity and productivity. The energy profile of isomerization is flat with diphosphines of variable steric bulk, but the preference for the formation of the linear Pd-alkyl species is more pronounced with sterically demanding diphosphines. CO insertion is feasible and reversible for all Pd-alkyl species studied and only little affected by the diphosphine. The overall rate-limiting step associated with the highest energetic barrier is methanolysis of the Pd-acyl species. Considering methanolysis of the linear Pd-acyl species, whose energetic barrier is lowest within all the Pd-acyl species studied, the barrier is calculated to be lower for more congesting diphosphines. Calculations indicate that energy differences of methanolysis of the linear versus branched Pd-acyls are more pronounced for more bulky diphosphines, due to involvement of different numbers of methanol molecules in the transition state. Experimental studies under pressure reactor conditions showed a faster conversion of shorter chain olefin substrates, but virtually no effect of the double bond position within the substrate. Compared to higher olefins, ethylene carbonylation under identical conditions is much faster, likely due not just to the occurrence of reactive linear acyls exclusively but also to an intrinsically favorable insertion reactivity of the olefin. The alcoholysis reaction is slowed down for higher alcohols, evidenced by pressure reactor and NMR studies. Multiple unsaturated fatty acids were observed to form a terminal Pd-allyl species upon reaction with the catalytically active Pd-hydride species. This process and further carbonylation are slow compared to isomerizing methoxycarbonylation of monounsaturated fatty acids, but selective.

  6. Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

    Science.gov (United States)

    Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

    2016-07-01

    Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N2, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

  7. Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

    International Nuclear Information System (INIS)

    Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

    2016-01-01

    Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N 2 , Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

  8. Retrieving molecular structural information and tracking HNC/HCN isomerization process with high harmonic generation by ultrashort laser pulses

    International Nuclear Information System (INIS)

    Nguyen Ngoc Ty; Le Van Hoang; Vu Ngoc Tuoc; Le Anh Thu

    2010-01-01

    We investigate the possibility of applying the iterative method, suggested in our previous work, for HCN molecule and its HNC isomer. We found that the high-order harmonic generation (HHG) spectra are quite insensitive to the change of H-C (or H-N) bond length so that only the inter-nuclear C-N distance can be retrieved from the high-order harmonic spectra using ultrashort intense lasers. Furthermore, by analyzing the HHG spectra emitted by HCN during the chemical reaction path of isomerization we identify the intensity peaks nearby the stable, metastable and transition states. this finding can be useful for tracking the HNC/HNC isomerization process. (author)

  9. Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

    Energy Technology Data Exchange (ETDEWEB)

    Justino, Licínia L. G., E-mail: liciniaj@ci.uc.pt; Reva, Igor; Fausto, Rui [CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal)

    2016-07-07

    Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N{sub 2}, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

  10. DFT study on the isomerization and tautomerism in vitamins B3 (niacin), B5 (pantothenic acid) and B7 (biotin)

    Science.gov (United States)

    Valadbeigi, Younes; Farrokhpour, Hossein; Tabrizchi, Mahmoud

    2014-05-01

    Isomerization and tautomerism of the three water soluble vitamins including B3, B5 and B7 were studied applying density functional theory using B3LYP method in gas and aqueous phases. Activation energies (Ea), Gibbs free energies of activation (ΔG#), and imaginary frequencies of the transition state structures were calculated for all the isomerization and tautomerism reactions. Activation energies of the neutral → zwitterion (amine-enamine) tautomerism in vitamin B3 were 310-360 kJ/mol where these values for the keto-enol tautomerism were 100-130 kJ/mol. It was found that water molecule catalyzes the tautomerism and decreases the activation energies about 90-160 kJ/mol.

  11. Left cardiac isomerism in the Sonic hedgehog null mouse.

    Science.gov (United States)

    Hildreth, Victoria; Webb, Sandra; Chaudhry, Bill; Peat, Jonathan D; Phillips, Helen M; Brown, Nigel; Anderson, Robert H; Henderson, Deborah J

    2009-06-01

    Sonic hedgehog (Shh) is a secreted morphogen necessary for the production of sidedness in the developing embryo. In this study, we describe the morphology of the atrial chambers and atrioventricular junctions of the Shh null mouse heart. We demonstrate that the essential phenotypic feature is isomerism of the left atrial appendages, in combination with an atrioventricular septal defect and a common atrioventricular junction. These malformations are known to be frequent in humans with left isomerism. To confirm the presence of left isomerism, we show that Pitx2c, a recognized determinant of morphological leftness, is expressed in the Shh null mutants on both the right and left sides of the inflow region, and on both sides of the solitary arterial trunk exiting from the heart. It has been established that derivatives of the second heart field expressing Isl1 are asymmetrically distributed in the developing normal heart. We now show that this population is reduced in the hearts from the Shh null mutants, likely contributing to the defects. To distinguish the consequences of reduced contributions from the second heart field from those of left-right patterning disturbance, we disrupted the movement of second heart field cells into the heart by expressing dominant-negative Rho kinase in the population of cells expressing Isl1. This resulted in absence of the vestibular spine, and presence of atrioventricular septal defects closely resembling those seen in the hearts from the Shh null mutants. The primary atrial septum, however, was well formed, and there was no evidence of isomerism of the atrial appendages, suggesting that these features do not relate to disruption of the contributions made by the second heart field. We demonstrate, therefore, that the Shh null mouse is a model of isomerism of the left atrial appendages, and show that the recognized associated malformations found at the venous pole of the heart in the setting of left isomerism are likely to arise from

  12. Light-induced linkage isomerization of photochromic [Ru(bpy){sub 2}(R-OSO)]{sup +} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Springfeld, Kristin; Dieckmann, Volker; Eicke, Sebastian; Imlau, Mirco [Department of Physics, University of Osnabrueck (Germany); Rack, Jeffrey J. [Department of Chemistry and Biochemistry, Ohio University, Athens, Ohio (United States)

    2010-07-01

    Ruthenium sulfoxides exhibit light-induced linkage isomerization of the SO-bond with remarkable photosensitivity S=(0.25{+-}0.03) Ws cm{sup -1} and extended lifetimes of the related metastable states in the order of 10{sup 4} s. The isomerization is accompanied with tremendous changes of the optical extinction up to 9350 cm{sup -1} mol{sup -1} thus enabling the study of linkage isomerization by means of time-resolved optical spectroscopy. Here, the influence of ligand substitution is studied via inspection of the photosensitivity and the generation and relaxation dynamics of the photochromic response as a function of temperature (pump at {lambda}=405 nm, probe at {lambda}=532 nm). The spectra of the modified compounds, where ligands R=Bn, BnCl, and BnMe were attached to OSO, were compared with the reference system [Ru(bpy){sub 2}(OSO)]{sup +}. It turns out, that the new ligands affect the absorption features and the photosensitivity of the system only slightly. In contrast, a strong influence of the thermal relaxation of the metastable states is uncovered. Remarkably, the influence on the frequency factors is much more pronounced than on the activation energies achieved by Arrhenius' law.

  13. The thermal Z-isomerization-induced change in solubility and physical properties of (all-E)-lycopene.

    Science.gov (United States)

    Murakami, Kazuya; Honda, Masaki; Takemura, Ryota; Fukaya, Tetsuya; Kubota, Mitsuhiro; Wahyudiono; Kanda, Hideki; Goto, Motonobu

    2017-09-16

    The effect of Z-isomerization of (all-E)-lycopene on its solubility in organic solvents and physical properties was investigated. Lycopene samples containing different Z-isomer contents (23.8%, 46.9%, and 75.6% of total lycopene) were prepared from high-purity (all-E)-lycopene by thermal Z-isomerization in dichloromethane (CH 2 Cl 2 ). As the Z-isomer content increased, the relative solubility of lycopene significantly improved. Although (all-E)-lycopene barely dissolved in ethanol (0.6 mg/L), the solubilities of lycopene containing 23.8%, 46.9%, and 75.6% Z-isomers were 484.5, 914.7, and 2401.7 mg/L, respectively. Furthermore, differential scanning calorimetry (DSC), powder X-ray diffraction (XRD), and scanning electron microscopy (SEM) analyses clearly indicated that (all-E)-lycopene was present in the crystal state, while Z-isomers of lycopene were present in amorphous states. A number of studies have suggested that Z-isomers of lycopene are better absorbed in the human body than the all-E-isomer. This may be due to the change in solubility and physical properties of lycopene by the Z-isomerization. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. Evs. in Green Grid Era and climate change

    Directory of Open Access Journals (Sweden)

    F. -H. Li

    2018-04-01

    Full Text Available In this paper we set up foundations for vehicle dynamics and apply them to possible future EVs-wireless in-wheel motor elctric vehicles (wirelsee IWMEVs-in the coming green grid (GG era. GG is the most advanced form of the coming smart gird in which electricity is to be generated only through harmless resources, mainly solar energy. All the cars are to be EVs which are wirelessly connected to the GG through a regional aggregator which survey the area and in case of need, the emergency signal is to be sent to the vehicle to make a necessary action for collision avoiding. We also discuss the climate change in general and global warming in particular and state why global warming is a grave issue for the human being through archeo-climatology. We state a plausible waether-cycle conjecture of 1470 years as a combination of conjectures of H. Noshioka and the latest ones based on the Dansgaard-Oeschger (DO cycles.

  15. Determination of the production rate of low intensity isomeric transitions

    International Nuclear Information System (INIS)

    Lakosi, L.; Veres, A.; Tam, N.C.; Pavlicsek, I.

    1992-01-01

    Flat 2π and cylindrical 4π multiwire proportional counters were built for counting for low energy internal conversion electrons from the nuclear isomers 83m Kr, 103m Rh and 189m Os, induced by irradiation with high intensity 60 Co and 4 MeV bremsstrahlung sources. The β-decay of 176m Lu was recorded by a plastic scintillator. In this way higher sensitivities were attained than by detecting γ-rays or characteristic X-rays associated with the isomeric transitions, and the excitation of 189m Os by low energy 137 Cs and 300 kV X-ray sources also became detectable. Comparatively large isomeric activities produced by linac irradiation were standardizing by a Ge spectrometer for calibrating proportional and scintillation counting. (orig.)

  16. 1,2-Fluorine Radical Rearrangements: Isomerization Events in Perfluorinated Radicals.

    Science.gov (United States)

    Van Hoomissen, Daniel J; Vyas, Shubham

    2017-11-16

    Devising effective degradation technologies for perfluoroalkyl substances (PFASs) is an active area of research, where the molecular mechanisms involving both oxidative and reductive pathways are still elusive. One commonly neglected pathway in PFAS degradation is fluorine atom migration in perfluoroalkyl radicals, which was largely assumed to be implausible because of the high C-F bond strength. Using density functional theory calculations, it was demonstrated that 1,2-F atom migrations are thermodynamically favored when the fluorine atom migrated from a less branched carbon center to a more branched carbon center. Activation barriers for these rearrangements were within 19-29 kcal/mol, which are possible to easily overcome at elevated temperatures or in photochemically activated species in the gas or aqueous phase. It was also found that the activation barriers for the 1,2-F atom migration are lowered as much as by 10 kcal/mol when common oxidative degradation products such as HF assisted the rearrangements or if the resulting radical center was stabilized by vicinal π-bonds. Natural bond orbital analyses showed that fluorine moves as a radical in a noncharge-separated state. These findings add an important reaction to the existing knowledge of mechanisms for PFAS degradation and highlights the fact that 1,2-F atom shifts may be a small channel for isomerization of these compounds, but upon availability of mineralization products, this isomerization process could become more prominent.

  17. Schiff base switch II precedes the retinal thermal isomerization in the photocycle of bacteriorhodopsin.

    Directory of Open Access Journals (Sweden)

    Ting Wang

    Full Text Available In bacteriorhodopsin, the order of molecular events that control the cytoplasmic or extracellular accessibility of the Schiff bases (SB are not well understood. We use molecular dynamics simulations to study a process involved in the second accessibility switch of SB that occurs after its reprotonation in the N intermediate of the photocycle. We find that once protonated, the SB C15 = NZ bond switches from a cytoplasmic facing (13-cis, 15-anti configuration to an extracellular facing (13-cis, 15-syn configuration on the pico to nanosecond timescale. Significantly, rotation about the retinal's C13 = C14 double bond is not observed. The dynamics of the isomeric state transitions of the protonated SB are strongly influenced by the surrounding charges and dielectric effects of other buried ions, particularly D96 and D212. Our simulations indicate that the thermal isomerization of retinal from 13-cis back to all-trans likely occurs independently from and after the SB C15 = NZ rotation in the N-to-O transition.

  18. Surface study of mixtures containing cyclic ethers and isomeric chlorobutanes

    International Nuclear Information System (INIS)

    Royo, F.M.; Villares, A.; Martin, S.; Giner, B.; Lafuente, C.

    2007-01-01

    Experimental surface tensions and the corresponding surface tensions deviations for the mixtures containing 1,3-dioxolane or 1,4-dioxane and 1-chlorobutane, 2-chlorobutane, 1-chloro-2-methylpropane or 2-chloro-2-methylpropane, measured with a drop volume tensiometer, are reported at the temperatures of 298.15 K and 313.15 K. The excess surface concentrations of isomeric chlorobutanes are also evaluated using a monolayer model

  19. Fit for competition with ``EVS `99``; Mit ``EVS `99`` fit fuer den Wettbewerb

    Energy Technology Data Exchange (ETDEWEB)

    Klawunn, K.H.; Wamhof, F. [Energieversorgung Suedsachsen AG, Chemnitz (Germany)

    1998-05-01

    The Energieversorgung Suedsachsen AG (EVS AG) located in Chemnitz faces up to the challenges of the competitive energy market. The company launched the project ``EVS `99`` in order to achieve the essential strategic goals: increase customer loyalty, concentrate on the core business, open up new operating areas, improve the core competences. This comprehensive business re-engineering project is intended to realise by the end of the business year 1997/98 an optimisation of all essential business processes, which are to focus on customer needs, establishment of an efficient, customer-oriented organisation in line with the strategy, and design of the required management and control systems. The technical and communication systems will be based on the SAP R/3 software in order to fully exploit the optimisation potentials. (orig./CB) [Deutsch] Die Energieversorgung Suedsachsen AG (EVS AG) in Chemnitz stellt sich aktiv den Herausforderungen des Wettbewerbs. Um die strategischen Unternehmensziele Erhoehung der Kundenbindung, Konzentration auf das Kerngeschaeft, Erschliessung neuer Geschaeftsfelder und Verbesserung der Kernkompetenzen zu erreichen, wurde das Projekt `EVS `99` initiiert. Durch dieses umfassende Business-Reengineering-Projekt wird bis Ende des Geschaeftsjahres 1997/98 die Optimierung aller wesentlichen Geschaeftsprozesse und deren Ausrichtung an den Kundenanforderungen, der Aufbau einer strategiekonformen, effizienten, kundenorientierten Organisation und die Gesaltung anforderungsgerechter Fuehrungs- und Steuerungssysteme realisiert. Begleitend wird die Software SAP R/3 im Unternehmen eingefuehrt, um umfassend, d.h. bereichsuebergreifend, alle Optimierungspotentiale zu nutzen. (orig./RHM)

  20. Nuclear isomerism in fission fragments produced by the spontaneous fission of {sup 252}Cf; Isomerisme nucleaire dans les fragments de fission produits dans la fission spontanee du {sup 252}Cf

    Energy Technology Data Exchange (ETDEWEB)

    Gautherin, C

    1997-09-01

    This thesis is devoted to the study of the nuclear structure of neutron-rich nuclei, via the search of isomeric nuclear states. Neutron-rich nuclei were produced in the spontaneous fission of {sup 252}Cf. The experimental study of isomeric states in these nuclei was performed with the {gamma}-array EUROGAM II, coupled to an additional and original fission fragment detector composed by photovoltaic cells, SAPhIR. The photovoltaic cells are well adapted to detect low energy heavy ions and have good energy and time resolutions to obtain a good fission fragment detection. This experiment led to the discovery of new isomeric states in {sup 135}Xe, {sup 104}Mo, {sup 146,147,148}Ce and {sup 152,154,156}Nd, with lifetimes between 60 ns and 2 {mu}s. Level schemes of these nuclei have been completed. An interpretation of the isomeric states in the nuclei {sup 154,156}Nd and {sup 156,158}Sm was performed by Hartree-Fock-Bogolyubov calculations using the DIS Gogny force with two quasi-particles excitations. The confrontation with the experimental results led to an interpretation of these isomeric states as K-isomers. (author)

  1. Isomerization and Fragmentation of Cyclohexanone in a Heated Micro-Reactor.

    Science.gov (United States)

    Porterfield, Jessica P; Nguyen, Thanh Lam; Baraban, Joshua H; Buckingham, Grant T; Troy, Tyler P; Kostko, Oleg; Ahmed, Musahid; Stanton, John F; Daily, John W; Ellison, G Barney

    2015-12-24

    The thermal decomposition of cyclohexanone (C6H10═O) has been studied in a set of flash-pyrolysis microreactors. Decomposition of the ketone was observed when dilute samples of C6H10═O were heated to 1200 K in a continuous flow microreactor. Pyrolysis products were detected and identified by tunable VUV photoionization mass spectroscopy and by photoionization appearance thresholds. Complementary product identification was provided by matrix infrared absorption spectroscopy. Pyrolysis pressures were roughly 100 Torr, and contact times with the microreactors were roughly 100 μs. Thermal cracking of cyclohexanone appeared to result from a variety of competing pathways, all of which open roughly simultaneously. Isomerization of cyclohexanone to the enol, cyclohexen-1-ol (C6H9OH), is followed by retro-Diels-Alder cleavage to CH2═CH2 and CH2═C(OH)-CH═CH2. Further isomerization of CH2═C(OH)-CH═CH2 to methyl vinyl ketone (CH3CO-CH═CH2, MVK) was also observed. Photoionization spectra identified both enols, C6H9OH and CH2═C(OH)-CH═CH2, and the ionization threshold of C6H9OH was measured to be 8.2 ± 0.1 eV. Coupled cluster electronic structure calculations were used to establish the energetics of MVK. The heats of formation of MVK and its enol were calculated to be ΔfH298(cis-CH3CO-CH═CH2) = -26.1 ± 0.5 kcal mol(-1) and ΔfH298(s-cis-1-CH2═C(OH)-CH═CH2) = -13.7 ± 0.5 kcal mol(-1). The reaction enthalpy ΔrxnH298(C6H10═O → CH2═CH2 + s-cis-1-CH2═C(OH)-CH═CH2) is 53 ± 1 kcal mol(-1) and ΔrxnH298(C6H10═O → CH2═CH2 + cis-CH3CO-CH═CH2) is 41 ± 1 kcal mol(-1). At 1200 K, the products of cyclohexanone pyrolysis were found to be C6H9OH, CH2═C(OH)-CH═CH2, MVK, CH2CHCH2, CO, CH2═C═O, CH3, CH2═C═CH2, CH2═CH-CH═CH2, CH2═CHCH2CH3, CH2═CH2, and HC≡CH.

  2. High-Pressure Limit Rate Rules for α-H Isomerization of Hydroperoxyalkylperoxy Radicals

    KAUST Repository

    Mohamed, Samah Y

    2018-03-09

    Hydroperoxyalkylperoxy (OOQOOH) radical isomerization is an important low-temperature chain branching reaction within the mechanism of hydrocarbon oxidation. This isomerization may proceed via the migration of the α-hydrogen to the hydroperoxide group. In this work, a combination of high level composite methods - CBS-QB3, G3 and G4 - is used to determine the high-pressure-limit rate parameters for the title reaction. Rate rules for H-migration reactions proceeding through 5-, 6-, 7- and 8-membered ring transitions states are determined. Migrations from primary, secondary and tertiary carbon sites to the peroxy group are considered. Chirality is also investigated by considering two diastereomers for reactants and transition states with two chiral centers. This is important since chirality may influence the energy barrier of the reaction as well as the rotational energy barriers of hindered rotors in chemical species and transition states. The effect of chirality and hydrogen bonding interactions in the investigated energies and rate constants is studied. The results show that while the energy difference between two diastereomers ranges from 0.1 - 3.2 kcal, chirality hardly affects the kinetics, except at low temperatures (atmospheric conditions) or when two chiral centers are present in the reactant. Regarding the effects of the peroxy group position and the H-migration ring size, it is found that in most cases, the 1,5 and 1,6 H-migration reactions have similar rates at low temperatures (below ~830K) since the 1,6 H-migration proceeds via a cyclohexane-like transition state similar to that of the 1,5 H-migration.

  3. How Do The EV Project Participants Feel About Charging Their EV Away From Home?

    Energy Technology Data Exchange (ETDEWEB)

    Francfort, James E. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-02-01

    The EV Project is an infrastructure study that enrolled over 8,000 residential participants. These participants purchased or leased a Nissan Leaf battery electric vehicle or Chevrolet Volt extended-range electric vehicle and were among the first to explore this new electric drive technology. Collectively, battery electric vehicles, extended-range electric vehicles, and plug-in hybrid electric vehicles are called PEVs. The EV Project participants were very cooperative and enthusiastic about their participation in the project and very supportive in providing feedback and information. The information and attitudes of these participants concerning their experience with their PEVs were solicited using a survey in June 2013. At that time, some had up to 3 years of experience with their PEVs.

  4. Formation of a Zn3067 isomer state by bombardment with neutrons

    International Nuclear Information System (INIS)

    Montes Ponce de Leon, J.; Sanchez del Rio, C.

    1956-01-01

    In this paper the identification of the isomeric state of Zn 6 7 by a new method is described Isotopes Zn 6 6 y Zn 6 7 being both stable, the capture of slow neutrons by Zn 6 6 leads sometimes to the formation of the isomeric state of Zn 6 7 ; the state is identified by its half-life measured by means of delayed coincidences between the capture and the isomeric gamma rays. (Author)

  5. Tracer kinetic investigations on isomerization and synthesis of /sup 8/C-aromates. II. Isomerization of ethylbenzene by means of heterogeneous catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Dermietzel, J; Roesseler, M; Jockisch, W; Wienhold, C [Akademie der Wissenschaften der DDR, Leipzig. Zentralinstitut fuer Isotopen- und Strahlenforschung; Franke, H; Klempin, J; Barz, H J [VEB Petrolchemisches Kombinat Schwedt (German Democratic Republic)

    1978-01-01

    The mechanism of ethylbenzene isomerization on Pt/Al/sub 2/O/sub 3/ catalysts by means of /sup 14/C labelled compounds has been investigated, measuring the isotope distribution between ring and alkyl carbon atoms. The results suggest that ethylbenzene isomerizes via structure rearrangement involving ring carbon atoms. A similar mechanism takes place in xylene isomerization under increased hydrogen partial pressure, while under normal pressure 1,2-methyl group shifting is dominating. All three xylenes are formed from ethylbenzene by parallel reactions.

  6. Combined Function of Brønsted and Lewis Acidity in the Zeolite-Catalyzed Isomerization of Glucose to Fructose in Alcohols

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Riisager, Anders; Taarning, Esben

    2016-01-01

    Glucose conversion via fructose to useful chemicals and fuels has attracted considerable attention. Isomerization of glucose to fructose can proceed along several different reaction pathways involving different sugar intermediates and isomeric forms. Presently, the roles of the substrate isomeric...

  7. Isomerization of Internal Alkynes to Iridium(III Allene Complexes via C–H Bond Activation: Expanded Substrate Scope, and Progress towards a Catalytic Methodology

    Directory of Open Access Journals (Sweden)

    Neha Phadke

    2015-11-01

    Full Text Available The synthesis of a series of allene complexes (POCOPIr(η2-RC=.=CR’ 1b–4b (POCOP = 2,6-bis(di-tert-butylphosphonitobenzene via isomerization of internal alkynes is reported. We have demonstrated that the application of this methodology is viable for the isomerization of a wide variety of alkyne substrates. Deuterium labeling experiments support our proposed mechanism. The structures of the allene complexes 1b–4b were determined using spectroscopic data analysis. Additionally, the solid-state molecular structure of complex 2b was determined using single crystal X-ray diffraction studies and it confirmed the assignment of an iridium-bound allene isomerization product. The rates of isomerization were measured using NMR techniques over a range of temperatures to allow determination of thermodynamic parameters. Finally, we report a preliminary step towards developing a catalytic methodology; the allene may be liberated from the metal center by exposure of the complex to an atmosphere of carbon monoxide.

  8. Thermal decay of rhodopsin: role of hydrogen bonds in thermal isomerization of 11-cis retinal in the binding site and hydrolysis of protonated Schiff base.

    Science.gov (United States)

    Liu, Jian; Liu, Monica Yun; Nguyen, Jennifer B; Bhagat, Aditi; Mooney, Victoria; Yan, Elsa C Y

    2009-07-01

    Although thermal stability of the G protein-coupled receptor rhodopsin is directly related to its extremely low dark noise level and has recently generated considerable interest, the chemistry behind the thermal decay process of rhodopsin has remained unclear. Using UV-vis spectroscopy and HPLC analysis, we have demonstrated that the thermal decay of rhodopsin involves both hydrolysis of the protonated Schiff base and thermal isomerization of 11-cis to all-trans retinal. Examining the unfolding of rhodopsin by circular dichroism spectroscopy and measuring the rate of thermal isomerization of 11-cis retinal in solution, we conclude that the observed thermal isomerization of 11-cis to all-trans retinal happens when 11-cis retinal is in the binding pocket of rhodopsin. Furthermore, we demonstrate that solvent deuterium isotope effects are involved in the thermal decay process by decreasing the rates of thermal isomerization and hydrolysis, suggesting that the rate-determining step of these processes involves breaking hydrogen bonds. These results provide insight into understanding the critical role of an extensive hydrogen-bonding network on stabilizing the inactive state of rhodopsin and contribute to our current understanding of the low dark noise level of rhodopsin, which enables this specialized protein to function as an extremely sensitive biological light detector. Because similar hydrogen-bonding networks have also been suggested by structural analysis of two other GPCRs, beta1 and beta2 adrenergic receptors, our results could reveal a general role of hydrogen bonds in facilitating GPCR function.

  9. Promotion of selective pathways in isomerizing functionalization of plant oils by rigid framework substituents

    KAUST Repository

    Christl, Josefine T.

    2014-10-14

    The 1,2-(CH2P(1-adamantyl)2)2C6H4 (dadpx) coordinated palladium complex [(dadpx)Pd(OTf)2] (1) is a catalyst precursor for the isomerizing methoxycarbonylation of the internal double bond of methyl oleate, with an unprecedented selectivity (96%) for the linear diester 1,19-dimethyl nonadecanedioate. Rapid formation of the catalytically active solvent-coordinated hydride species [(dadpx)PdH(MeOH)]+ (3-MeOH) is evidenced by NMR spectroscopy, and further isolation and X-ray crystal structure analysis of [(dadpx)PdH(PPh3)]+ (3-PPh3). DFT calculations of key steps of the catalytic cycle unravel methanolysis as the decisive step for enhanced selectivity and the influence of the rigid adamantyl framework on this step by destabilization of transition states of unselective pathways.

  10. Synthesis of heterocycles through transition-metal-catalyzed isomerization reactions

    DEFF Research Database (Denmark)

    Ishøy, Mette; Nielsen, Thomas Eiland

    2014-01-01

    of structurally complex and diverse heterocycles. In this Concept article, we attempt to cover this area of research through a selection of recent versatile examples. A sea of opportunities! Transition-metal-catalyzed isomerization of N- and O-allylic compounds provides a mild, selective and synthetically...... versatile method to form iminium and oxocarbenium ions. Given the number of reactions involving these highly electrophilic intermediates, this concept provides a sea of opportunities for heterocycle synthesis, (see scheme; Nu=nucleophile). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim....

  11. Driving Pattern Analysis for Electric Vehicle (EV) Grid Integration Study

    DEFF Research Database (Denmark)

    Wu, Qiuwei; Nielsen, Arne Hejde; Østergaard, Jacob

    2010-01-01

    In order to facilitate the integration of electric vehicles (EVs) into the Danish power system, the driving data in Denmark were analyzed to extract the information of driving distances and driving time periods which were used to represent the driving requirements and the EV unavailability...... from the driving time periods to show how many cars are available for charging and discharging in each time period. The obtained EV availability data are in one hour time periods and one quarter time periods for different study purposes. The EV availability data of one hour time period are to be used...

  12. Xylose Isomerization with Zeolites in a Two-Step Alcohol–Water Process

    DEFF Research Database (Denmark)

    Paniagua, Marta; Shunmugavel, Saravanamurugan; Melián Rodriguez, Mayra

    2015-01-01

    Isomerization of xylose to xylulose was efficiently catalyzed by large-pore zeolites in a two-step methanol–water process that enhanced the product yield significantly. The reaction pathway involves xylose isomerization to xylulose, which, in part, subsequently reacts with methanol to form methyl...

  13. Control of structural isomerism in noncovalent hydrogen-bonded assemblies using peripheral chiral information

    NARCIS (Netherlands)

    Prins, L.J.; Jolliffe, K.A.; Hulst, A.J.R.L.; Timmerman, P.; Reinhoudt, David

    2000-01-01

    The results of a systematic study of the structural isomerism in more than 30 noncovalent hydrogen-bonded assemblies are described. These dynamic assemblies, composed of three calix[4]arene dimelamines and six barbiturates/cyanurates, can be present in three isomeric forms with either D3, C3h, or Cs

  14. Iridium-Catalyzed Dynamic Kinetic Isomerization: Expedient Synthesis of Carbohydrates from Achmatowicz Rearrangement Products.

    Science.gov (United States)

    Wang, Hao-Yuan; Yang, Ka; Bennett, Scott R; Guo, Sheng-rong; Tang, Weiping

    2015-07-20

    A highly stereoselective dynamic kinetic isomerization of Achmatowicz rearrangement products was discovered. This new internal redox isomerization provided ready access to key intermediates for the enantio- and diastereoselective synthesis of a series of naturally occurring sugars. The nature of the de novo synthesis also enables the preparation of both enantiomers. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Analysis of Optimal Process Flow Diagrams of Light Naphtha Isomerization Process by Mathematic Modelling Method

    OpenAIRE

    Chuzlov, Vyacheslav Alekseevich; Molotov, Konstantin

    2016-01-01

    An approach to simulation of hydrocarbons refining processes catalytic reactors. The kinetic and thermodynamic research of light naphtha isomerization process was conducted. The kinetic parameters of hydrocarbon feedstock chemical conversion on different types of platinum-content catalysts was established. The estimation of efficiency of including different types of isomerization technologies in oil refinery flow diagram was performed.

  16. Green Synthesis of Carvenone by Montmorillonite-Catalyzed Isomerization of 1,2-Limonene Oxide

    DEFF Research Database (Denmark)

    Nguyen, Thao-Tran Thi; Chau, Duy-Khiem Nguyen; Duus, Fritz

    2013-01-01

    Montmorillonite was considered as a good heterogeneous catalyst for the isomerization of 1,2-limonene oxide into car-venone under solvent-free condition. Both conventional heating and green activations were tested in this research. The microwave-assisted isomerization afforded carvenone in high...

  17. Analysis of Optimal Process Flow Diagrams of Light Naphtha Isomerization Process by Mathematic Modelling Method

    Directory of Open Access Journals (Sweden)

    Chuzlov Vjacheslav

    2016-01-01

    Full Text Available An approach to simulation of hydrocarbons refining processes catalytic reactors. The kinetic and thermodynamic research of light naphtha isomerization process was conducted. The kinetic parameters of hydrocarbon feedstock chemical conversion on different types of platinum-content catalysts was established. The estimation of efficiency of including different types of isomerization technologies in oil refinery flow diagram was performed.

  18. Tandem ring-closing metathesis/isomerization reactions for the total synthesis of violacein

    DEFF Research Database (Denmark)

    Petersen, Mette Terp; Nielsen, Thomas Eiland

    2013-01-01

    A series of 5-substituted 2-pyrrolidinones was synthesized through a one-pot ruthenium alkylidene-catalyzed tandem RCM/isomerization/nucleophilic addition sequence. The intermediates resulting from RCM/isomerization showed reactivity toward electrophiles in aldol condensation reactions which...

  19. Excitation functions and isomeric ratios for the isomeric pair sup(106m)Ag and sup(106g)Ag in the 107Ag (d,t) reaction

    International Nuclear Information System (INIS)

    Lalli, M.E.; Wasilevsky de Lammirato, C.; Herreros, O.R.; Nassiff, S.J.

    1976-09-01

    Excitation functions and isomeric cross section ratios have been measured for the 107 Ag (d,t), reaction in which the isomeric pair sup(106m/106g)Ag is produced. Thick-target yields have been determined for different irradiation times and as a function of deuteron energy. Stacked silver foils with aluminium foils as monitors were bombarded with deuterons up to 27 MeV and the activities of products measured with a calibrated Ge(Li) counter. (author) [es

  20. Process for paraffin isomerization of a distillate range hydrocarbon feedstock

    Energy Technology Data Exchange (ETDEWEB)

    Chen, N.Y.; Garwood, W.E.; McCullen, S.B.

    1993-01-19

    Various catalytic processes have been proposed to isomerize n-paraffins so as to lower the pour point of distillate range hydrocarbon feedstocks. However, many available feedstocks contain nitrogen impurities which tend to poison conventional paraffin isomerization catalysts. A process has been developed to obviate or alleviate this problem. According to the invention, the paraffin-containing feedstock is contacted with a crystalline aluminosilicate zeolite catalyst having pore openings defined by a ratio of sorption of n-hexane to o-xylene of over 3 vol % and the ability to crack 3-methylpentane in preference to 2,3 dimethylbutane under defined conditions. The zeolite catalyst includes a Group VIII metal and has a zeolite SiO[sub 2]/Al[sub 2]O[sub 3] ratio of at least 20:1. The contacting is carried out at 199-454 C and a pressure of 100-1,000 psig, preferably 250-600 psig. The group of medium pore zeolites which can be used in the process of the invention includes ZSM-22, ZSM-23, and ZSM-35. The Group VIII metals used in the catalyst are preferably selected from Pt, Pd, Ir, Os, Rh, and Ru and the metal is preferably incorporated into the zeolite by ion exchange up to a metal content of preferably 0.1-3 wt %. Experiments are described to illustrate the invention. 1 tab.

  1. Catalyst compositions useful for olefin isomerization and disproportionation

    International Nuclear Information System (INIS)

    Drake, C.A.

    1987-01-01

    A process is described for the double bond isomerization of an aliphatic olefinic hydrocarbon feed which comprises contacting the feed under isomerization conditions with a catalyst prepared by: (a) impregnating an alumina support having a surface area of at least 200 m/sup 2//g and a pore volume of at least 0.45 cm/sup 3//g with: 1 up to 20 wt. % of at least one magnesium compound convertible to the oxide, based on the weight of support and calculated as the metal; 0 up to 5 wt. % of at least one alkali metal compound convertible to the oxide, based on the weight of support and calculated as the metal; and 0 up to 5 wt. % of at least one zirconium compound convertible to the oxide, based on the weight of support and calculated as the metal; and (b) heating the alumina support impregnated in accordance with step (a) in an oxygen-containing atmosphere under conditions suitable to convert at least a portion of the magnesium, alkali metal, and zirconium compounds to the oxide form

  2. Reflectivity of single-crystal GeS from 0.1-30 eV

    International Nuclear Information System (INIS)

    Wiley, J.D.; Buckel, W.J.; Braun, W.; Fehrenbach, G.W.; Himpsel, F.J.; Koch, E.E.

    1976-03-01

    The reflectivity of single-crystal, orthorhombic GeS has been measured at 300 K for all three polarizations in the photon energy range 0.1-30 eV. Eleven distinct peaks or shoulders are observed, about half of which can be associated with known structure in the valence-band density-of-states. A Kramers-Kronig analysis was performed, giving the optical constants and energy-loss functions in the 0-25 eV range. (orig.) [de

  3. Along the N=126 closed shell: study of $^{205}$Au through its $\\pi h_{11/2}^{-1}$ isomeric decay

    CERN Multimedia

    2002-01-01

    Excited states have been identified in only three of the N=126 closed shell nuclei 'below' $^{208}$Pb, $^{207}$Tl, $^{206}$Hg and very recently $^{204}$Pt. We aim to extend our knowledge of the neutron-rich N=126 nuclei by observing the internal decay of the $\\pi h^{-1}_{11/2}$ excited state in $^{205}$Au, which is expected to be isomeric. In addition, the decay of the analogous states in the N=122 and N=124 $^{201,203}$Au will be studied. The lifetimes of the expected isomeric states are crucial for the success of the experiment, and they are estimated to be in the range of 0.3-20 s. These are long enough to enable the extraction from the source, but shorter than the $\\beta$-decay half-lives. Proton single-particle energies and transition rates will be extracted, providing information about the robustness of the N=126 shell-closure. Three days of beam-time is requested.

  4. Potential Analysis of Electric Vehicle (EV) Grid Integration

    DEFF Research Database (Denmark)

    Wu, Qiuwei; Nielsen, Arne Hejde; Østergaard, Jacob

    2011-01-01

    Electric vehicles (EVs) have been considered as distributed energy resources (DER) to handle the fluctuation from renewable energy resources (RES), especially the wind power. The intelligent management of EV charging and discharging can achieve the goal of providing up and down regulating power...

  5. An EV Charging Scheduling Mechanism Based on Price Negotiation

    Directory of Open Access Journals (Sweden)

    Baocheng Wang

    2018-05-01

    Full Text Available Scheduling EV user’s charging behavior based on charging price and applying renewable energy resources are the effective methods to release the load pressure of power grids brought about by the large-scale popularity of electric vehicles (EVs. This paper presents a novel approach for EV charging scheduling based on price negotiation. Firstly, the EV charging system framework based on price negotiation and renewable energy resources is discussed. Secondly, the price negotiation model is presented, including the initial price models and the conditions of transactions. Finally, an EV charging scheduling mechanism based on price negotiation (CSM-PN, including the price adjustment strategies of both the operator and EV users is proposed to seek a final transaction during multi-round price negotiation. Simulation results show that this novel approach can effectively improve the charging station operator’s income, reduce the EV users’ costs, and balance the load of the power grid while improving the efficiency of the EV charging system.

  6. Charge your electric vehicle when driving?; Rijdend je EV opladen?

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, M.

    2012-07-05

    In late June 2012 a team of Japanese Toyota and ToyohashiUniversity of Technology (TUT) successfully developed and demonstrated a new induction charging method for electric vehicles (EV) [Dutch] Eind junidemonstreerde een Japans team van Toyota en ToyohashiUniversity of Technology (TUT) met succes een nieuwe inductie oplaadmethode voor elektrisch vervoer (EV)

  7. EV Charging Algorithm Implementation with User Price Preference

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Bin; Hu, Boyang; Qiu, Charlie; Chu, Peter; Gadh, Rajit

    2015-02-17

    in this paper, we propose and implement a smart Electric Vehicle (EV) charging algorithm to control the EV charging infrastructures according to users’ price preferences. EVSE (Electric Vehicle Supply Equipment), equipped with bidirectional communication devices and smart meters, can be remotely monitored by the proposed charging algorithm applied to EV control center and mobile app. On the server side, ARIMA model is utilized to fit historical charging load data and perform day-ahead prediction. A pricing strategy with energy bidding policy is proposed and implemented to generate a charging price list to be broadcasted to EV users through mobile app. On the user side, EV drivers can submit their price preferences and daily travel schedules to negotiate with Control Center to consume the expected energy and minimize charging cost simultaneously. The proposed algorithm is tested and validated through the experimental implementations in UCLA parking lots.

  8. Baseline Testing of The EV Global E-Bike

    Science.gov (United States)

    Eichenberg, Dennis J.; Kolacz, John S.; Tavernelli, Paul F.

    2001-01-01

    The NASA John H. Glenn Research Center initiated baseline testing of the EV Global E-Bike as a way to reduce pollution in urban areas, reduce fossil fuel consumption and reduce Operating costs for transportation systems. The work was done Linder the Hybrid Power Management (HPM) Program, which includes the Hybrid Electric Transit Bus (HETB). The E-Bike is a state of the art, ground up, hybrid electric bicycle. Unique features of the vehicle's power system include the use of an efficient, 400 W. electric hub motor and a 7-speed derailleur system that permits operation as fully electric, fully pedal, or a combination of the two. Other innovative features, such as regenerative braking through ultracapacitor energy storage are planned. Regenerative braking recovers much of the kinetic energy of the vehicle during deceleration. The E-Bike is an inexpensive approach to advance the state of the art in hybrid technology in a practical application. The project transfers space technology to terrestrial use via nontraditional partners, and provides power system data valuable for future space applications. A description of the E-bike, the results of performance testing, and future vehicle development plans is the subject of this report. The report concludes that the E-Bike provides excellent performance, and that the implementation of ultracapacitors in the power system can provide significant performance improvements.

  9. Inhibition of enterovirus 71 (EV-71 infections by a novel antiviral peptide derived from EV-71 capsid protein VP1.

    Directory of Open Access Journals (Sweden)

    Chee Wah Tan

    Full Text Available Enterovirus 71 (EV-71 is the main causative agent of hand, foot and mouth disease (HFMD. In recent years, EV-71 infections were reported to cause high fatalities and severe neurological complications in Asia. Currently, no effective antiviral or vaccine is available to treat or prevent EV-71 infection. In this study, we have discovered a synthetic peptide which could be developed as a potential antiviral for inhibition of EV-71. Ninety five synthetic peptides (15-mers overlapping the entire EV-71 capsid protein, VP1, were chemically synthesized and tested for antiviral properties against EV-71 in human Rhabdomyosarcoma (RD cells. One peptide, SP40, was found to significantly reduce cytopathic effects of all representative EV-71 strains from genotypes A, B and C tested, with IC(50 values ranging from 6-9.3 µM in RD cells. The in vitro inhibitory effect of SP40 exhibited a dose dependent concentration corresponding to a decrease in infectious viral particles, total viral RNA and the levels of VP1 protein. The antiviral activity of SP40 peptide was not restricted to a specific cell line as inhibition of EV-71 was observed in RD, HeLa, HT-29 and Vero cells. Besides inhibition of EV-71, it also had antiviral activities against CV-A16 and poliovirus type 1 in cell culture. Mechanism of action studies suggested that the SP40 peptide was not virucidal but was able to block viral attachment to the RD cells. Substitutions of arginine and lysine residues with alanine in the SP40 peptide at positions R3A, R4A, K5A and R13A were found to significantly decrease antiviral activities, implying the importance of positively charged amino acids for the antiviral activities. The data demonstrated the potential and feasibility of SP40 as a broad spectrum antiviral agent against EV-71.

  10. Ti-Catalyzed Selective Isomerization of Terminal Mono-substituted Olefins

    International Nuclear Information System (INIS)

    Lee, Hyung Soo; Lee, Gab Yong

    2005-01-01

    The isomerization of olefins occurs either by a metal hydride addition-elimination or by a π-allyl metal hydride intermediate. HCo(CO) 4 , [(C 2 H 4 ) 2 RhCl] 2 , Ni[P(OEt) 3 ] 4 , and PtCl 2 (PPh 3 ) 2 -SnCl 2 are effective catalysts for isomerization of olefins via a metal hydride addition-elimination mechanism, 3,4 and Fe 3 (CO) 12 catalyzed isomerization of 3-ethyl-1-pentene and isomerization of 1-heptene catalyzed by (PhCN) 2 PdCl 2 occur via a π-allyl metal hydride mechanism. The cis/trans ratio of 2-butene obtained from isomerization of 1-butene by RhH(CO)(PPh 3 ) 3 has also been investigated. The skeletal isomerization of olefins catalyzed by (R 3 P) 2 NiCl 2 is developed such as conversion of cis-1,4-hexadiene to trans-2-methyl-1,3-pentadiene. Titanium complexes serve as an effective catalysts for a variety of reactions such as hydroalumination, hydroboration, and hydrogenation of unsaturated hydrocarbons. We have been interested in the selective reactions of unsaturated hydrocarbons by using titanium and zirconium compounds. The reagent system composed of LiAlH 4 /Cp 2 TiCl 2 ≤ 2 in the molar ratio promotes the isomerization of 1-octene, but the detailed reaction for isomerization of olefins has not been reported. We report here a selective isomerization of olefins with low valent titanium complex generated from Cp 2 TiCl 2 (Cp=cyclopentadienyl) and LiAlH 4

  11. A multi-factor GIS method to identify optimal geographic locations for electric vehicle (EV) charging stations

    Science.gov (United States)

    Zhang, Yongqin; Iman, Kory

    2018-05-01

    Fuel-based transportation is one of the major contributors to poor air quality in the United States. Electric Vehicle (EV) is potentially the cleanest transportation technology to our environment. This research developed a spatial suitability model to identify optimal geographic locations for installing EV charging stations for travelling public. The model takes into account a variety of positive and negative factors to identify prime locations for installing EV charging stations in Wasatch Front, Utah, where automobile emission causes severe air pollution due to atmospheric inversion condition near the valley floor. A walkable factor grid was created to store index scores from input factor layers to determine prime locations. 27 input factors including land use, demographics, employment centers etc. were analyzed. Each factor layer was analyzed to produce a summary statistic table to determine the site suitability. Potential locations that exhibit high EV charging usage were identified and scored. A hot spot map was created to demonstrate high, moderate, and low suitability areas for installing EV charging stations. A spatially well distributed EV charging system was then developed, aiming to reduce "range anxiety" from traveling public. This spatial methodology addresses the complex problem of locating and establishing a robust EV charging station infrastructure for decision makers to build a clean transportation infrastructure, and eventually improve environment pollution.

  12. A multipolar SR motor and its application in EV

    International Nuclear Information System (INIS)

    Goto, H.; Suzuki, Y.; Nakamura, K.; Watanabe, T.; Guo, H.J.; Ichinokura, O.

    2005-01-01

    In order to bring out the advanced features of EVs, a direct-drive (DD) with in-wheel (IW) layout has been considered, but it requires more motors than the conventional layout and the motors will be used in a hard environment. Because switched reluctance motors (SRMs) are simple and strong, we have developed a new outer-rotor-type multipolar SRM suitable for DD-IW EVs through simulations and experiments. We have implemented the developed SRMs into a prototype EV. This is the first-ever in-vehicle research to our knowledge; the developing process and the road test results will bring many useful guidelines for future developments

  13. Scope and mechanism in palladium-catalyzed isomerizations of highly substituted allylic, homoallylic, and alkenyl alcohols.

    Science.gov (United States)

    Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément

    2014-12-03

    Herein we report the palladium-catalyzed isomerization of highly substituted allylic alcohols and alkenyl alcohols by means of a single catalytic system. The operationally simple reaction protocol is applicable to a broad range of substrates and displays a wide functional group tolerance, and the products are usually isolated in high chemical yield. Experimental and computational mechanistic investigations provide complementary and converging evidence for a chain-walking process consisting of repeated migratory insertion/β-H elimination sequences. Interestingly, the catalyst does not dissociate from the substrate in the isomerization of allylic alcohols, whereas it disengages during the isomerization of alkenyl alcohols when additional substituents are present on the alkyl chain.

  14. Isomerization of glucose into fructose by environmentally friendly Fe/β zeolite catalysts.

    Science.gov (United States)

    Xu, Siquan; Zhang, Lei; Xiao, Kehao; Xia, Haian

    2017-06-29

    Herein, the environmentally friendly Fe/β zeolite for glucose isomerization to fructose in aqueous media was reported for the first time. The effects of various reaction conditions including reaction temperature, reaction time, catalyst dosage, etc. on the isomerization reaction over Fe/β zeolite were studied in detail. Under the optimized conditions, yield of fructose higher than 20% were obtained. Moreover, the Fe/β zeolite catalysts were stable and remained constant catalytic activity after five consecutive runs. The possible active Fe species for isomerization of glucose in Fe/β zeolite is also discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Dynamics of H+ + CO at ELab = 30 eV

    Science.gov (United States)

    Stopera, Christopher; Maiti, Buddhadev; Grimes, Thomas V.; McLaurin, Patrick M.; Morales, Jorge A.

    2012-02-01

    The astrophysically relevant system H+ + CO (vi = 0) → H+ + CO (vf) at ELab = 30 eV is studied with the simplest-level electron nuclear dynamics (SLEND) method. This investigation follows previous successful SLEND studies of H+ + H2 and H+ + N2 at ELab = 30 eV [J. Morales, A. Diz, E. Deumens, and Y. Öhrn, J. Chem. Phys. 103(23), 9968 (1995), 10.1063/1.469886; C. Stopera, B. Maiti, T. V. Grimes, P. M. McLaurin, and J. A. Morales, J. Chem. Phys. 134(22), 224308 (2011), 10.1063/1.3598511]. SLEND is a direct, time-dependent, variational, and non-adiabatic method that adopts a classical-mechanics description for the nuclei and a single-determinantal wavefunction for the electrons. A canonical coherent-states (CS) procedure associated with SLEND reconstructs quantum vibrational properties from the SLEND classical dynamics. Present SLEND results include reactivity predictions, snapshots of the electron density evolution, average vibrational energy transfers, rainbow angle predictions, total and vibrationally resolved differential cross sections (DCS), and average vibrational excitation probabilities. SLEND results are compared with available data from experiments and vibrational close-coupling rotational infinite-order sudden (VCC-RIOS) approximation calculations. Present simulations employ four basis sets: STO-3G, 6-31G, 6-31G**, and cc-pVDZ to determine their effect on the results. SLEND simulations predict non-charge-transfer scattering and CO collision-induced dissociation as the main reactions. SLEND/6-31G, /6-31G**, and /cc-pVDZ predict rainbow angles and total DCS in excellent agreement with experiments and more accurate than their VCC-RIOS counterparts. SLEND/6-31G** and /cc-pVDZ predict vibrationally resolved DCS for vf = 0-2 in satisfactory experimental agreement, but less accurate than their comparable H+ + CO VCC-RIOS and H+ + H2 and H+ + N2 SLEND results. SLEND/6-31G** and /cc-pVDZ predict qualitatively correct average vibrational excitation probabilities

  16. EBSCO infopäev Tallinnas / Marika Meltsas

    Index Scriptorium Estoniae

    Meltsas, Marika

    2008-01-01

    16. aprillil 2008 toimus Tallinnas EBSCO (Elton B. Stephens Company) infopäev, kus maailma suurim elektrooniliste ja trükiajakirjade vahendaja tutvustas oma tooteid ja teenuseid Eesti raamatukogudele. Kommentaar korraldajalt Tiina Nurmilt

  17. National Greenhouse Gas Emission Inventory (EV-GHG)

    Data.gov (United States)

    U.S. Environmental Protection Agency — The EV-GHG Mobile Source Data asset contains measured mobile source GHG emissions summary compliance information on light-duty vehicles, by model, for certification...

  18. Modeling and Testing of EVs - Preliminary Study and Laboratory Development

    DEFF Research Database (Denmark)

    Yang, Guang-Ya; Marra, Francesco; Nielsen, Arne Hejde

    2010-01-01

    Electric vehicles (EVs) are expected to play a key role in the future energy management system to stabilize both supply and consumption with the presence of high penetration of renewable generation. A reasonably accurate model of battery is a key element for the study of EVs behavior and the grid...... tests, followed by the suggestions towards a feasible battery model for further studies.......Electric vehicles (EVs) are expected to play a key role in the future energy management system to stabilize both supply and consumption with the presence of high penetration of renewable generation. A reasonably accurate model of battery is a key element for the study of EVs behavior and the grid...... impact at different geographical areas, as well as driving and charging patterns. Electric circuit model is deployed in this work to represent the electrical properties of a lithium-ion battery. This paper reports the preliminary modeling and validation work based on manufacturer data sheet and realistic...

  19. Base fluid in improving heat transfer for EV car battery

    Science.gov (United States)

    Bin-Abdun, Nazih A.; Razlan, Zuradzman M.; Shahriman, A. B.; Wan, Khairunizam; Hazry, D.; Ahmed, S. Faiz; Adnan, Nazrul H.; Heng, R.; Kamarudin, H.; Zunaidi, I.

    2015-05-01

    This study examined the effects of base fluid (as coolants) channeling inside the heat exchanger in the process of the increase in thermal conductivity between EV car battery and the heat exchanger. The analysis showed that secondary cooling system by means of water has advantages in improving the heat transfer process and reducing the electric power loss on the form of thermal energy from batteries. This leads to the increase in the efficiency of the EV car battery, hence also positively reflecting the performance of the EV car. The present work, analysis is performed to assess the design and use of heat exchanger in increasing the performance efficiency of the EV car battery. This provides a preface to the use this design for nano-fluids which increase and improve from heat transfer.

  20. UNUSUAL ENERGY-DEPENDENCE OF THE TOTAL NUCLEAR-REACTION CROSS-SECTION FOR A SECONDARY ISOMERIC NUCLEAR BEAM (F-18(M), J(PI)=5(+), E(X)=1.1 MEV)

    NARCIS (Netherlands)

    ROBERTS, DA; BECCHETTI, FD; BROWN, JA; JANECKE, J; PHAM, K; ODONNELL, TW; WARNER, RE; RONNINGEN, RM; WILSCHUT, HW

    1995-01-01

    A primary O-17 beam has been used to produce a 22.3 MeV/nucleon F-18(m) isomeric secondary beam via a single nucleon transfer reaction on a carbon target. The total nuclear reaction cross sections for F-18(m) and F-18(g.s.) in silicon were measured in a stack of seven silicon solid-state detectors.

  1. EV integration in smart grids through interoperability solutions

    OpenAIRE

    Rodríguez-Sánchez, Raúl; Madina, Carlos; Zabala, Eduardo

    2015-01-01

    The high total cost of ownership and the uncertainties surrounding battery reliability are still the main barriers for electric vehicle (EV) market take off in Europe. Storage evolution, leading to both price reduction and performance improvement, is a huge technical challenge in the medium-long term. In the meantime, new business models and market niche developments might play a facilitator role for EV deployment by tackling the economic gap between conventional ICE and electromobility (e-mo...

  2. The generalized Yablonskii-Vorob'ev polynomials and their properties

    International Nuclear Information System (INIS)

    Kudryashov, Nikolai A.; Demina, Maria V.

    2008-01-01

    Rational solutions of the generalized second Painleve hierarchy are classified. Representation of the rational solutions in terms of special polynomials, the generalized Yablonskii-Vorob'ev polynomials, is introduced. Differential-difference relations satisfied by the polynomials are found. Hierarchies of differential equations related to the generalized second Painleve hierarchy are derived. One of these hierarchies is a sequence of differential equations satisfied by the generalized Yablonskii-Vorob'ev polynomials

  3. Immunological Evaluation and Comparison of Different EV71 Vaccine Candidates

    Directory of Open Access Journals (Sweden)

    Ai-Hsiang Chou

    2012-01-01

    Full Text Available Enterovirus 71 (EV71 and coxsackievirus A16 (CVA16 are major causative agents of hand, foot, and mouth diseases (HFMDs, and EV71 is now recognized as an emerging neurotropic virus in Asia. Effective medications and/or prophylactic vaccines against HFMD are not available. The current results from mouse immunogenicity studies using in-house standardized RD cell virus neutralization assays indicate that (1 VP1 peptide (residues 211–225 formulated with Freund’s adjuvant (CFA/IFA elicited low virus neutralizing antibody response (1/32 titer; (2 recombinant virus-like particles produced from baculovirus formulated with CFA/IFA could elicit good virus neutralization titer (1/160; (3 individual recombinant EV71 antigens (VP1, VP2, and VP3 formulated with CFA/IFA, only VP1 elicited antibody response with 1/128 virus neutralization titer; and (4 the formalin-inactivated EV71 formulated in alum elicited antibodies that cross-neutralized different EV71 genotypes (1/640, but failed to neutralize CVA16. In contrast, rabbits antisera could cross-neutralize strongly against different genotypes of EV71 but weakly against CVA16, with average titers 1/6400 and 1/32, respectively. The VP1 amino acid sequence dissimilarity between CVA16 and EV71 could partially explain why mouse antibodies failed to cross-neutralize CVA16. Therefore, the best formulation for producing cost-effective HFMD vaccine is a combination of formalin-inactivated EV71 and CAV16 virions.

  4. Direct Measurement of the Isomerization Barrier of the Isolated Retinal Chromophore

    DEFF Research Database (Denmark)

    Dilger, Jonathan; Musbat, Lihi; Sheves, Mordechai

    2015-01-01

    Isomerizations of the retinal chromophore were investigated using the IMS-IMS technique. Four different structural features of the chromophore were observed, isolated, excited collisionally, and the resulting isomer and fragment distributions were measured. By establishing the threshold activatio...

  5. Glucose Isomerization by Enzymes and Chemo-catalysts: Status and Current Advances

    DEFF Research Database (Denmark)

    Li, Hu; Yang, Song; Saravanamurugan, Shunmugavel

    2017-01-01

    of isomerization of aldoses in terms of yields, catalysts, solvents, catalytic systems, etc., by both enzymatic and chemo-catalytic approaches. Among aldose ketose interconversion reactions, fructose production by glucose isomerization to make high-fructose corn syrup (HFCS) is an industrially important and large....../intermediate fructose. This review focuses on how both enzyme and chemo-catalysts are being useful for the isomerization of glucose to fructose. Specifically, development of Lewis acid containing zeolites for glucose isomerization is reviewed in detail, including mechanism, isotopic labeling, and computational studies....... biocatalytic process today, and a large number of studies have been reported on the process development. In parallel, also alternative chemo-catalytic systems have emerged, as enzymatic conversion has drawbacks, though they are typically more selective and produce fructose under mild reaction conditions...

  6. Mechanistic features of isomerizing alkoxycarbonylation of methyl oleate

    KAUST Repository

    Roesle, Philipp

    2012-10-24

    The weakly coordinated triflate complex [(P̂P)Pd(OTf)] +(OTf)- (1) (P̂P = 1,3-bis(di-tert- butylphosphino)propane) is a suitable reactive precursor for mechanistic studies of the isomerizing alkoxcarbonylation of methyl oleate. Addition of CH 3OH or CD3OD to 1 forms the hydride species [(P ̂P)PdH(CH3OH)]+(OTf)- (2-CH3OH) or the deuteride [(P̂P)PdD(CD 3OD)]+(OTf)- (2D-CD3OD), respectively. Further reaction with pyridine cleanly affords the stable and isolable hydride [(P̂P)PdH(pyridine)]+(OTf) - (2-pyr). This complex yields the hydride fragment free of methanol by abstraction of pyridine with BF3OEt2, and thus provides an entry to mechanistic observations including intermediates reactive toward methanol. Exposure of methyl oleate (100 equiv) to 2D-CD 3OD resulted in rapid isomerization to the thermodynamic isomer distribution, 94.3% of internal olefins, 5.5% of α,β-unsaturated ester and <0.2% of terminal olefin. Reaction of 2-pyr/BF3OEt 2 with a stoichiometric amount of 1-13C-labeled 1-octene at -80 °C yields a 50:50 mixture of the linear alkyls [(P ̂P)Pd13CH2(CH2) 6CH3]+ and [(P̂P)PdCH 2(CH2)6 13CH3] + (4a and 4b). Further reaction with 13CO yields the linear acyls [(P̂P)Pd13C(=O)12/13CH 2(CH2)6 12/13CH3(L)] + (5-L; L = solvent or 13CO). Reaction of 2-pyr/BF 3·OEt2 with a stoichiometric amount of methyl oleate at -80 °C also resulted in fast isomerization to form a linear alkyl species [(P̂P)PdCH2(CH2) 16C(=O)OCH3]+ (6) and a branched alkyl stabilized by coordination of the ester carbonyl group as a four membered chelate [(P̂P)PdCH{(CH2)15CH 3}C(=O)OCH3]+ (7). Addition of carbon monoxide (2.5 equiv) at -80 °C resulted in insertion to form the linear acyl carbonyl [(P̂P)PdC(=O)(CH2)17C(=O)OCH 3(CO)]+ (8-CO) and the five-membered chelate [(P ̂P)PdC(=O)CH{(CH2)15CH3}C(=O) OCH3]+ (9). Exposure of 8-CO and 9 to 13CO at -50 °C results in gradual incorporation of the 13C label. Reversibility of 7 + CO ⇄ 9 is also evidenced by ΔG = -2.9 kcal mol-1 and

  7. Development of battery management systems (BMS for electric vehicles (EVs in Malaysia

    Directory of Open Access Journals (Sweden)

    Salehen P.M.W.

    2017-01-01

    Full Text Available Battery Management Systems (BMS is an electronic devices component, which is a vital fundamental device connected between the charger and the battery of the hybrid or electric vehicle (EV systems. Thus, BMS significantly enable for safety protection and reliable battery management by performing of monitoring charge control, state evaluation, reporting the data and functionalities cell balancing. To date, 97.1% of Malaysian CO2 emissions are mainly caused by transportation activities and the numbers will keep rising as numbers of registered car increase close up to 1 million yearly; double the amounts in the last two decades. The uncertainty of a battery’s performance poses a challenge to predict the extended range of EVs, which need BMS implementation of optimization of optimum power management. Hence, using MATLAB/SIMULINK software is one of the potential methods of BMS optimization with power generated by Hybrid Energy Storage system of lithium-ion battery. Therefore, this paper address through reviewing previous literatures initially focuses on the BMS optimization for EVs (car in Malaysia as prognostic technology model improvement on performance management of EVs.

  8. HiggsToFourLeptonsEV in the ATLAS EventView Analysis Framework

    CERN Document Server

    Lagouri, T; Del Peso, J

    2008-01-01

    ATLAS is one of the four experiments at the Large Hadron Collider (LHC) at CERN. This experiment has been designed to study a large range of physics topics, including searches for previously unobserved phenomena such as the Higgs Boson and super-symmetry. The physics analysis package HiggsToFourLeptonsEV for the Standard Model (SM) Higgs to four leptons channel with ATLAS is presented. The physics goal is to investigate with the ATLAS detector, the SM Higgs boson discovery potential through its observation in the four-lepton (electron and muon) final state. HiggsToFourLeptonsEV is based on the official ATLAS software ATHENA and the EventView (EV) analysis framework. EventView is a highly flexible and modular analysis framework in ATHENA and it is one of several analysis schemes for ATLAS physics user analysis. At the core of the EventView is the representative "view" of an event, which defines the contents of event data suitable for event-level physics analysis. The HiggsToFourLeptonsEV package, presented in ...

  9. Effects of alkali or acid treatment on the isomerization of amino acids.

    Science.gov (United States)

    Ohmori, Taketo; Mutaguchi, Yuta; Doi, Katsumi; Ohshima, Toshihisa

    2012-10-01

    The effect of alkali treatment on the isomerization of amino acids was investigated. The 100×D/(D+L) values of amino acids from peptide increased with increase in the number of constituent amino acid residues. Furthermore, the N-terminal amino acid of a dipeptide was isomerized to a greater extent than the C-terminal residue. Copyright © 2012. Published by Elsevier B.V.

  10. Smart EV Energy Management System to Support Grid Services

    Science.gov (United States)

    Wang, Bin

    Under smart grid scenarios, the advanced sensing and metering technologies have been applied to the legacy power grid to improve the system observability and the real-time situational awareness. Meanwhile, there is increasing amount of distributed energy resources (DERs), such as renewable generations, electric vehicles (EVs) and battery energy storage system (BESS), etc., being integrated into the power system. However, the integration of EVs, which can be modeled as controllable mobile energy devices, brings both challenges and opportunities to the grid planning and energy management, due to the intermittency of renewable generation, uncertainties of EV driver behaviors, etc. This dissertation aims to solve the real-time EV energy management problem in order to improve the overall grid efficiency, reliability and economics, using online and predictive optimization strategies. Most of the previous research on EV energy management strategies and algorithms are based on simplified models with unrealistic assumptions that the EV charging behaviors are perfectly known or following known distributions, such as the arriving time, leaving time and energy consumption values, etc. These approaches fail to obtain the optimal solutions in real-time because of the system uncertainties. Moreover, there is lack of data-driven strategy that performs online and predictive scheduling for EV charging behaviors under microgrid scenarios. Therefore, we develop an online predictive EV scheduling framework, considering uncertainties of renewable generation, building load and EV driver behaviors, etc., based on real-world data. A kernel-based estimator is developed to predict the charging session parameters in real-time with improved estimation accuracy. The efficacy of various optimization strategies that are supported by this framework, including valley-filling, cost reduction, event-based control, etc., has been demonstrated. In addition, the existing simulation-based approaches do

  11. Straight and chopped DC performance data for a reliance EV-250AT motor with a General Electric EV-1 controller

    Science.gov (United States)

    Edie, P. C.

    1981-01-01

    Straight and chopped DC motor performances for a Reliance EV-250AT motor with an EV-1 controller were examined. Effects of motor temperature and operating voltage are shown. It is found that the maximum motor efficiency is approximately 85% at low operating temperatures in the straight DC mode. Chopper efficiency is 95% under all operating conditions. For equal speeds, the motor operated in the chopped mode develops slightly more torque and draws more current than it does in the straight DC mode.

  12. Design Efficient and Ultralong Pure Organic Room-Temperature Phosphorescent Materials by Structural Isomerism.

    Science.gov (United States)

    Xiong, Yu; Zhao, Zheng; Zhao, Wei Jun; Ma, Hui Li; Peng, Qian; He, Zi Kai; Zhang, Xue Peng; Chen, Yun Cong; He, Xue Wen; Lam, Jacky; Tang, Ben Zhong

    2018-05-08

    Pure organic materials with ultralong room temperature phosphorescence (RTP) are attractive alternatives to inorganic phosphors. However, without heavy atoms and carbonyl or heteroatomic groups, they generally show inefficient intersystem crossing (ISC) due to the weak spin-orbit coupling (SOC). Many efforts have been made to enhance SOC but examples in realizing both efficient and ultralong RTP have been limited. Here we present a novel design principle based on the realization of small energy gap between the lowest singlet and triplet states (ΔEST) and pure ππ* configuration of the lowest triplet state (T1) via structural isomerism to obtain efficient and ultralong RTP materials. The meta-isomer of carbazole-substituted methyl benzoate exhibits an ultralong lifetime of 795.0 ms with a quantum yield of 2.1%, whose performance is among the best RTP materials reported so far. Study on the structure-property relationship demonstrates that the varied steric and conjugation effects imposed by ester substituent at different positions are responsible for the small ΔEST and pure ππ* configuration of T1. This rational design will open a new avenue for exploring novel pure organic RTP materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Multi-arrangement quantum dynamics in 6D: cis-trans isomerization and 1,3-hydrogen transfer in HONO

    International Nuclear Information System (INIS)

    Luckhaus, David

    2004-01-01

    The overtone spectrum and wave packet dynamics of nitrous acid (HONO) are studied with a global six-dimensional potential energy function interpolated directly from density functional calculations together with the corresponding dipole hypersurfaces. The quantum dynamics for the cis-trans isomerization and the symmetric 1,3-hydrogen transfer are treated in full dimensionality in terms of the generalized Z-matrix discrete variable representation. For the quantum mechanical description of complicated rearrangements a new approach to multi-arrangement quantum dynamics is introduced and applied to the symmetric hydrogen exchange tunneling in cis-HONO. The cis-trans isomerization is found to be dominated by adiabatic barrier crossing with only minor tunneling contributions, but with pronounced mode selectivity. The OH-stretching overtones of trans-HONO are adiabatically almost completely separated from the OH torsional dynamics with extremely slow intramolecular energy redistribution. The 1,3-hydrogen transfer, by contrast, proceeds largely via coherent tunneling even significantly below the barrier. The process is clearly non-adiabatic (at least in terms of valence coordinates) but remains highly state specific. While the absorption spectrum of trans-HONO remains largely unaffected, OH-stretching overtones of cis-HONO (above the barrier between 2ν OH and 3ν OH ) decompose into highly fragmented absorption patterns with corresponding tunneling periods on the picosecond time scale

  14. Hydrotreating NiMo/sepiolite catalysts: influence of catalyst preparation on activity for HDS, hydrogenation and chain isomerization reactions

    International Nuclear Information System (INIS)

    Melo, F.V.; Sanz, E.; Corma, A.; Mifsud, A.

    1987-01-01

    A series of NiMo catalysts supported on a sepiolite: a) in its natural state, b) modified by acid leaching, and c) modified by cation exchange, have been prepared. The preparation variables studied were: Method of metal deposition, amount of active phase, sepiolite pretreatment, and temperature and time of sulfurization. The catalytic activity for HDS, hydrogenation, and cracking-isomerization has been studied by feeding a thiophene-cyclohexene-cyclohexane mixture and carrying out the reaction in the following conditions: 300 0 and 400 0 C reaction temperature, 20 Kg.cm -2 total pressure, and 3 to 1 molar ratio of H 2 to hydrocarbons. An optimium for HDS and hydrogenation activity was found for a 12% wt MoO 3 , and 5% wt NiO, prepared by simultaneous impregnation by the pore volume method at Ph = 5.0. The optimum conditions with these catalysts are 400 0 C and 3 hours of sulfurization. An increase in the acidity of the support produces a decrease of HDS and hydrogenation and an increase of the cracking-isomerization activities. A good correlation between HDS and the concentration of an XNiO.MoO 3 phase is found. The XNiO.MoO 3 phase is completely sulfurized to a modified MoS 2 , while NiMoO 4 and MoO 3 are only slightly sulfurized. 31 refs.; 7 figs.; 1 table

  15. An Investigation of the Enolization and Isomeric Products Distribution in the Water Promoted Aldol Reaction of Tropinone and Granatanone

    Directory of Open Access Journals (Sweden)

    Ryszard Lazny

    2016-01-01

    Full Text Available The exo,anti/exo,syn-diastereoselectivity of water promoted direct aldol reactions of tropinone and granatanone (pseudopelletierine is strongly dependent on the amount of water added and aromatic aldehyde used. DFT methods were applied to calculate the free energies of tropinone and granatanone enols, transition states, and isomeric aldol products. A theoretical model was verified by comparison of results from several DFT methods and functionals with experiments. The 6-31g(d/CPCM method proved most suited to the problem, although all methods tested predicted similar trends. Explicit inclusion of a water molecule bonded to the amino ketones resulted in increased stability of the enol forms. The dependence of the anti/syn-diastereoselectivity on the amount of water used may be rationalized on the basis of change in the polarity of the reaction medium. The predicted stabilities of competing products agreed with experimental results supporting the notion of thermodynamic control. The isomeric products distributions for the aldol reaction of several aromatic aldehydes in solventless (neat conditions were accurately calculated from free energies of the aldol addition step in the gas phase using B3LYP/6-31g(d method and in aqueous conditions using the CPCM-B3LYP/6-31g(d model. Our methodology can be useful for predicting the outcome of this type of aldol reactions.

  16. Thermal decomposition and isomerization of cis-permethrin and beta-cypermethrin in the solid phase.

    Science.gov (United States)

    González Audino, Paola; Licastro, Susana A; Zerba, Eduardo

    2002-02-01

    The stability to heart of cis-permethrin and beta-cypermethrin in the solid phase was studied and the decomposition products identified. Samples heated at 210 degrees C in an oven in the dark showed that, in the absence of potassium chlorate (the salt present in smoke-generating formulations of these pyrethroids), cis-permethrin was not isomerized, although in the presence of that salt, decomposition was greater and thermal isomerization occurred. Other salts of the type KXO3 or NaXO3, with X being halogen or nitrogen, also led to a considerable thermal isomerization. Heating the insecticides in solution in the presence of potassium chlorate did not produce isomerization in any of the solvents assayed. Salt-catalysed thermal cis-trans isomerization was also found for other pyrethroids derived from permethrinic or deltamethrinic acid but not for those derived from chrysanthemic acid. The main thermal degradation processes of cis-permethrin and beta-cypermethrin decomposition when potassium chlorate was present were cyclopropane isomerization, ester cleavage and subsequent oxidation of the resulting products. Permethrinic acid, 3-phenoxybenzyle chloride, alcohol, aldehyde and acid were identified in both cases, as well as 3-phenoxybenzyl cyanide from beta-cypermethrin. A similar decomposition pattern occurred after combustion of pyrethroid fumigant formulations.

  17. Spectra of γ-rays from capture of 2 eV to 9 x 104 eV neutrons by 181Ta

    International Nuclear Information System (INIS)

    Stelts, M.L.

    Using new experimental techniques, the spectra of γ-rays from the capture of neutrons by 181 Ta were measured at the Livermore 100-MeV linac for neutrons from 2 eV to 9 x 10 4 eV with a (Ge(Li)-NaI) three-crystal spectrometer. Individual primary γ-ray lines were resolved to 1778-keV excitation in 182 Ta. Neutron resonances were resolved to 200-eV neutron energy. Data analysis techniques and codes were developed to extract positions and intensities of resolved transitions from the large data matrices accumulated in this experiment. Techniques were developed to unfold the unresolved γ-ray spectra using the simple response of the three-crystal spectrometer. The resolved transition data were used to place 110 states with spin and parity assignments in the 182 Ta level diagram below 1780-keV excitation. A set of 1240 E1 transition strengths were analyzed to extract 1.38 +- 0.11 degrees of freedom for the most likely chisquared fit to the distribution of widths. The E1 strength function was extracted for E/sub gamma/ = 4 to 6 MeV and compared with previous results. The γ-ray spectra for E/sub gamma/ = 1.5 to 6.1 MeV were unfolded for neutron energy groups between 20 and 9 x 10 4 eV. Below 5-MeV γ-ray energy no dependence of the spectral shape on neu []ron energy was observed. (30 figures, 4 tables) (auth)

  18. Development of battery management systems (BMS) for electric vehicles (EVs) in Malaysia

    OpenAIRE

    Salehen P.M.W.; Su’ait M.S.; Razali H.; Sopian K.

    2017-01-01

    Battery Management Systems (BMS) is an electronic devices component, which is a vital fundamental device connected between the charger and the battery of the hybrid or electric vehicle (EV) systems. Thus, BMS significantly enable for safety protection and reliable battery management by performing of monitoring charge control, state evaluation, reporting the data and functionalities cell balancing. To date, 97.1% of Malaysian CO2 emissions are mainly caused by transportation activities and the...

  19. Calculating Rayleigh scattering amplitudes from 100 eV to 10 MeV

    International Nuclear Information System (INIS)

    Parker, J.C.; Reynaud, G.W.; Botto, D.J.; Pratt, R.H.

    1979-01-01

    An attempt is made to explain how to calculate the contribution to elastic photon-atom scattering due to Rayleigh scattering (the scattering off bound electrons) in the photon energy range 100 eV less than or equal to W less than or equal to 10 MeV. All intermediate calculations are described, including the calculation of the potential, bound state wave functions, matrix elements, and final cross sections. 12 references

  20. Isomeric shift compensation when using resonance detectors in Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Irkaev, S.M.; Semenkin, V.A.; Sokolov, M.M.

    1981-01-01

    Method for compensation of isomeric shift of lines observed during operation of resonance detectors being part of spectrometers of nuclear gamma resonance is suggested. A flowsheet of device permitting to realize the method described is given. The method is based on using the Doppler effect. A source of resonance radiation is moved at a constant velocity, which is choosen so as to compensate energy shift of lines of the source and convertors of the resonance detector. The absorber under investigation is put in motion with a constant acceleration. The resonance detector signals are amplified selected according to amplitude by a discriminator and come to the input of multichannel analyzer operating in the regime of subsequent scaling. Analysis of experimental spectra obtained at velocities of source movement from 0 to +3 mm/s shows that value of resonance absorption effect drops as increasing energy shift in the source-converter system. It is concluded that application of the method described will permit to considerably extend the field of application of resonance detectors in the Moessbauer spectroscopy and investigate in practice all the isotopes having converted transitions [ru

  1. Photoionization and trans-to-cis isomerization of β-cyclodextrin-encapsulated azobenzene induced by two-color two-laser-pulse excitation.

    Science.gov (United States)

    Takeshita, Tatsuya; Hara, Michihiro

    2018-03-15

    Azobenzene (1) and the complex resulting from the incorporation of 1 with cyclodextrin (1/CD) are attractive for light-driven applications such as micromachining and chemical biology tools. The highly sensitive photoresponse of 1 is crucial for light-driven applications containing both 1 and 1/CD to reach their full potential. In this study, we investigated the photoionization and trans-to-cis isomerization of 1/CD induced by one- and two-color two-laser pulse excitation. Photoionization of 1/CD, which was induced by stepwise two-photon absorption, was observed using laser pulse excitation at 266nm. Additionally, simultaneous irradiation with 266 and 532nm laser pulses increased the trans-to-cis isomerization yield (Υ t→c ) by 27%. It was concluded that the increase in Υ t→c was caused by the occurrence of trans-to-cis isomerization in the higher-energy singlet state (S n ), which was reached by S 1 →S n transition induced by laser pulse excitation at 532nm. The results of this study are potentially applicable in light-driven applications such as micromachining and chemical biology tools. Copyright © 2018 Elsevier B.V. All rights reserved.

  2. Ohmic heating of a spheromak to 100 eV

    Energy Technology Data Exchange (ETDEWEB)

    Jarboe, T.R.; Barnes, C.W.; Henins, I.; Hoida, H.W.; Knox, S.O.; Linford, R.K.; Sherwood, A.R.

    1984-01-01

    The first spheromaks with Thomson-scattering-measured electron temperatures of over 100 eV are described. The spheromak is generated by a magnetized coaxial plasma source in a background gas of 30 mTorr of H/sub 2/, and it is stably confined in an oblate 80 cm diam copper mesh flux conserver. The open mesh design allows rapid impurity transport out of the spheromak. The peak temperature, measured using multipoint Thomson scattering, is observed to rise from approximately 25 eV to over 100 eV in about 0.2 msec due to Ohmic heating from the decaying magnetic fields. Density (approx.5 x 10/sup 13/ cm/sup -3/) and magnetic fields (approximately 2 kG) are measured using interferometry and magnetic probes.

  3. Ohmic heating of a spheromak to 100 eV

    International Nuclear Information System (INIS)

    Jarboe, T.R.; Barnes, C.W.; Henins, I.; Hoida, H.W.; Knox, S.O.; Linford, R.K.; Sherwood, A.R.

    1984-01-01

    The first spheromaks with Thomson-scattering-measured electron temperatures of over 100 eV are described. The spheromak is generated by a magnetized coaxial plasma source in a background gas of 30 mTorr of H 2 , and it is stably confined in an oblate 80 cm diam copper mesh flux conserver. The open mesh design allows rapid impurity transport out of the spheromak. The peak temperature, measured using multipoint Thomson scattering, is observed to rise from approximately 25 eV to over 100 eV in about 0.2 msec due to Ohmic heating from the decaying magnetic fields. Density (approx.5 x 10 13 cm -3 ) and magnetic fields (approximately 2 kG) are measured using interferometry and magnetic probes

  4. NASA's Earth Venture-1 (EV-1) Airborne Science Investigations

    Science.gov (United States)

    Guillory, A.; Denkins, T.; Allen, B. Danette; Braun, Scott A.; Crawford, James H.; Jensen, Eric J.; Miller, Charles E.; Moghaddam, Mahta; Maring, Hal

    2011-01-01

    In 2010, NASA announced the first Earth Venture (EV-1) selections in response to a recommendation made by the National Research Council for low-cost investigations fostering innovation in Earth science. The five EV-1 investigations span the Earth science focus areas of atmosphere, weather, climate, water and energy and, carbon and represent earth science researchers from NASA as well as other government agencies, academia and industry from around the world. The EV-1 missions are: 1) Airborne Microwave Observatory of Subcanopy and Subsurface (AirMOSS), 2) Airborne Tropical Tropopause Experiment (ATTREX), 3) Carbon in Arctic Reservoirs Vulnerability Experiment (CARVE), 4) Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ), and 5) Hurricane And Severe Storm Sentinel (HS3). The Earth Venture missions are managed out of the Earth System Science Pathfinder (ESSP) Program Office (Allen, et. al. 2010b)

  5. Photodissociation of HCN and HNC isomers in the 7-10 eV energy range

    Energy Technology Data Exchange (ETDEWEB)

    Chenel, Aurelie; Roncero, Octavio, E-mail: octavio.roncero@csic.es [Instituto de Física Fundamental (IFF-CSIC), C.S.I.C., Serrano 123, 28006 Madrid (Spain); Aguado, Alfredo [Departamento de Química Física Aplicada (UAM), Unidad Asociada a IFF-CSIC, Facultad de Ciencias Módulo 14, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Agúndez, Marcelino; Cernicharo, José [Instituto de Ciencia de Materiales de Madrid, CSIC, C/ Sor Juana Inés de la Cruz 3, 28049 Cantoblanco (Spain)

    2016-04-14

    The ultraviolet photoabsorption spectra of the HCN and HNC isomers have been simulated in the 7-10 eV photon energy range. For this purpose, the three-dimensional adiabatic potential energy surfaces of the 7 lowest electronic states, and the corresponding transition dipole moments, have been calculated, at multireference configuration interaction level. The spectra are calculated with a quantum wave packet method on these adiabatic potential energy surfaces. The spectra for the 3 lower excited states, the dissociative electronic states, correspond essentially to predissociation peaks, most of them through tunneling on the same adiabatic state. The 3 higher electronic states are bound, hereafter electronic bound states, and their spectra consist of delta lines, in the adiabatic approximation. The radiative lifetime towards the ground electronic states of these bound states has been calculated, being longer than 10 ns in all cases, much longer that the characteristic predissociation lifetimes. The spectra of HCN is compared with the available experimental and previous theoretical simulations, while in the case of HNC there are no previous studies to our knowledge. The spectrum for HNC is considerably more intense than that of HCN in the 7-10 eV photon energy range, which points to a higher photodissociation rate for HNC, compared to HCN, in astrophysical environments illuminated by ultraviolet radiation.

  6. Inhibition of EV71 by curcumin in intestinal epithelial cells.

    Science.gov (United States)

    Huang, Hsing-I; Chio, Chi-Chong; Lin, Jhao-Yin

    2018-01-01

    EV71 is a positive-sense single-stranded RNA virus that belongs to the Picornaviridae family. EV71 infection may cause various symptoms ranging from hand-foot-and-mouth disease to neurological pathological conditions such as aseptic meningitis, ataxia, and acute transverse myelitis. There is currently no effective treatment or vaccine available. Various compounds have been examined for their ability to restrict EV71 replication. However, most experiments have been performed in rhabdomyosarcoma or Vero cells. Since the gastrointestinal tract is the entry site for this pathogen, we anticipated that orally ingested agents may exert beneficial effects by decreasing virus replication in intestinal epithelial cells. In this study, curcumin (diferuloylmethane, C21H20O6), an active ingredient of turmeric (Curcuma longa Linn) with anti-cancer properties, was investigated for its anti-enterovirus activity. We demonstrate that curcumin treatment inhibits viral translation and increases host cell viability. Curcumin does not exert its anti-EV71 effects by modulating virus attachment or virus internal ribosome entry site (IRES) activity. Furthermore, curcumin-mediated regulation of mitogen-activated protein kinase (MAPK) signaling pathways is not involved. We found that protein kinase C delta (PKCδ) plays a role in virus translation in EV71-infected intestinal epithelial cells and that curcumin treatment decreases the phosphorylation of this enzyme. In addition, we show evidence that curcumin also limits viral translation in differentiated human intestinal epithelial cells. In summary, our data demonstrate the anti-EV71 properties of curcumin, suggesting that ingestion of this phytochemical may protect against enteroviral infections.

  7. Inhibition of EV71 by curcumin in intestinal epithelial cells.

    Directory of Open Access Journals (Sweden)

    Hsing-I Huang

    Full Text Available EV71 is a positive-sense single-stranded RNA virus that belongs to the Picornaviridae family. EV71 infection may cause various symptoms ranging from hand-foot-and-mouth disease to neurological pathological conditions such as aseptic meningitis, ataxia, and acute transverse myelitis. There is currently no effective treatment or vaccine available. Various compounds have been examined for their ability to restrict EV71 replication. However, most experiments have been performed in rhabdomyosarcoma or Vero cells. Since the gastrointestinal tract is the entry site for this pathogen, we anticipated that orally ingested agents may exert beneficial effects by decreasing virus replication in intestinal epithelial cells. In this study, curcumin (diferuloylmethane, C21H20O6, an active ingredient of turmeric (Curcuma longa Linn with anti-cancer properties, was investigated for its anti-enterovirus activity. We demonstrate that curcumin treatment inhibits viral translation and increases host cell viability. Curcumin does not exert its anti-EV71 effects by modulating virus attachment or virus internal ribosome entry site (IRES activity. Furthermore, curcumin-mediated regulation of mitogen-activated protein kinase (MAPK signaling pathways is not involved. We found that protein kinase C delta (PKCδ plays a role in virus translation in EV71-infected intestinal epithelial cells and that curcumin treatment decreases the phosphorylation of this enzyme. In addition, we show evidence that curcumin also limits viral translation in differentiated human intestinal epithelial cells. In summary, our data demonstrate the anti-EV71 properties of curcumin, suggesting that ingestion of this phytochemical may protect against enteroviral infections.

  8. Inhibition of EV71 by curcumin in intestinal epithelial cells

    Science.gov (United States)

    Chio, Chi-Chong; Lin, Jhao-Yin

    2018-01-01

    EV71 is a positive-sense single-stranded RNA virus that belongs to the Picornaviridae family. EV71 infection may cause various symptoms ranging from hand-foot-and-mouth disease to neurological pathological conditions such as aseptic meningitis, ataxia, and acute transverse myelitis. There is currently no effective treatment or vaccine available. Various compounds have been examined for their ability to restrict EV71 replication. However, most experiments have been performed in rhabdomyosarcoma or Vero cells. Since the gastrointestinal tract is the entry site for this pathogen, we anticipated that orally ingested agents may exert beneficial effects by decreasing virus replication in intestinal epithelial cells. In this study, curcumin (diferuloylmethane, C21H20O6), an active ingredient of turmeric (Curcuma longa Linn) with anti-cancer properties, was investigated for its anti-enterovirus activity. We demonstrate that curcumin treatment inhibits viral translation and increases host cell viability. Curcumin does not exert its anti-EV71 effects by modulating virus attachment or virus internal ribosome entry site (IRES) activity. Furthermore, curcumin-mediated regulation of mitogen-activated protein kinase (MAPK) signaling pathways is not involved. We found that protein kinase C delta (PKCδ) plays a role in virus translation in EV71-infected intestinal epithelial cells and that curcumin treatment decreases the phosphorylation of this enzyme. In addition, we show evidence that curcumin also limits viral translation in differentiated human intestinal epithelial cells. In summary, our data demonstrate the anti-EV71 properties of curcumin, suggesting that ingestion of this phytochemical may protect against enteroviral infections. PMID:29370243

  9. Absolute triple differential cross section for electron-impact ionization of helium at 40 eV

    International Nuclear Information System (INIS)

    Roeder, J.; Ehrhardt, H.; Bray, I.; Fursa, D.V.; McCarthy, I.E.

    1995-01-01

    A combined experimental and theoretical study of ionization of the ground state of helium by 40 eV incident electrons is presented. Absolute in-plane and out-of-plane measurements are provided for the case of 4 eV slow electron energy. These are found to be in good agreement with the convergent close-coupling (CCC) calculations. Three calculations are presented, in order to demonstrate convergence, which couple a total of 87, 99 and 103 states. These also simultaneously yield results for the equal energy sharing kinematics which are found to be in good agreement with the available relative coplanar symmetric measurement. 30 refs., 8 figs

  10. Isomerization and dissociation in competition: the two-component dissociation rates of methyl acetate ions

    Science.gov (United States)

    Mazyar, Oleg A.; Mayer, Paul M.; Baer, Tomas

    1997-11-01

    Threshold photoelectron-photoion coincidence (TPEPICO) spectroscopy has been used to investigate the unimolecular chemistry of metastable methyl acetate ions, CH3COOCH3.+. The rate of molecular ion fragmentation with the loss of CH3O. and CH2OH radicals as a function of ion internal energy was obtained from the coincidence data and used in conjunction with Rice-Ramsperger-Kassel-Markus and ab initio molecular orbital calculations to model the dissociation/isomerization mechanism of the methyl acetate ion (A). The data were found to be consistent with the mechanism involving a hydrogen-bridged complex CH3CO[middle dot][middle dot][middle dot]H[middle dot][middle dot][middle dot]OCH2.+(E) as the direct precursor of the observed fragments CH3CO+ and CH2OH.. The two-component decay rates were modeled with a three-well-two-product potential energy surface including the distonic ion CH3C(OH)OCH2.+(B) and enol isomer CH2C(OH)OCH3.+(C), which are formed from the methyl acetate ion by two consecutive [1,4]-hydrogen shifts. The 0 K heats of formation of isomers B and C as well as transition states TSAB, TSBC, and TSBE (relative to isomer A) were calculated from Rice-Ramsperger-Kassel-Markus (RRKM) theory.

  11. A Novel Technique that Enables Efficient Conduct of Simultaneous Isomerization and Fermentation (SIF) of Xylose

    Science.gov (United States)

    Rao, Kripa; Chelikani, Silpa; Relue, Patricia; Varanasi, Sasidhar

    Of the sugars recovered from lignocellulose, D-glucose can be readily converted into ethanol by baker's or brewer's yeast (Saccharomyces cerevisiae). However, xylose that is obtained by the hydrolysis of the hemicellulosic portion is not fermentable by the same species of yeasts. Xylose fermentation by native yeasts can be achieved via isomerization of xylose to its ketose isomer, xylulose. Isomerization with exogenous xylose isomerase (XI) occurs optimally at a pH of 7-8, whereas subsequent fermentation of xylulose to ethanol occurs at a pH of 4-5. We present a novel scheme for efficient isomerization of xylose to xylulose at conditions suitable for the fermentation by using an immobilized enzyme system capable of sustaining two different pH microenvironments in a single vessel. The proof-of-concept of the two-enzyme pellet is presented, showing conversion of xylose to xylulose even when the immobilized enzyme pellets are suspended in a bulk solution whose pH is sub-optimal for XI activity. The co-immobilized enzyme pellets may prove extremely valuable in effectively conducting "simultaneous isomerization and fermentation" (SIF) of xylose. To help further shift the equilibrium in favor of xylulose formation, sodium tetraborate (borax) was added to the isomerization solution. Binding of tetrahydroxyborate ions to xylulose effectively reduces the concentration of xylulose and leads to increased xylose isomerization. The formation of tetrahydroxyborate ions and the enhancement in xylulose production resulting from the complexation was studied at two different bulk pH values. The addition of 0.05 M borax to the isomerization solution containing our co-immobilized enzyme pellets resulted in xylose to xylulose conversion as high as 86% under pH conditions that are suboptimal for XI activity. These initial findings, which can be optimized for industrial conditions, have significant potential for increasing the yield of ethanol from xylose in an SIF approach.

  12. Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water.

    Science.gov (United States)

    Moliner, Manuel; Román-Leshkov, Yuriy; Davis, Mark E

    2010-04-06

    The isomerization of glucose into fructose is a large-scale reaction for the production of high-fructose corn syrup (HFCS; reaction performed by enzyme catalysts) and recently is being considered as an intermediate step in the possible route of biomass to fuels and chemicals. Here, it is shown that a large-pore zeolite that contains tin (Sn-Beta) is able to isomerize glucose to fructose in aqueous media with high activity and selectivity. Specifically, a 10% (wt/wt) glucose solution containing a catalytic amount of Sn-Beta (150 Sn:glucose molar ratio) gives product yields of approximately 46% (wt/wt) glucose, 31% (wt/wt) fructose, and 9% (wt/wt) mannose after 30 min and 12 min of reaction at 383 K and 413 K, respectively. This reactivity is achieved also when a 45 wt% glucose solution is used. The properties of the large-pore zeolite greatly influence the reaction behavior because the reaction does not proceed with a medium-pore zeolite, and the isomerization activity is considerably lower when the metal centers are incorporated in ordered mesoporous silica (MCM-41). The Sn-Beta catalyst can be used for multiple cycles, and the reaction stops when the solid is removed, clearly indicating that the catalysis is occurring heterogeneously. Most importantly, the Sn-Beta catalyst is able to perform the isomerization reaction in highly acidic, aqueous environments with equivalent activity and product distribution as in media without added acid. This enables Sn-Beta to couple isomerizations with other acid-catalyzed reactions, including hydrolysis/isomerization or isomerization/dehydration reaction sequences [starch to fructose and glucose to 5-hydroxymethylfurfural (HMF) demonstrated here].

  13. Thermal isomerization of regiospecifically 10B-labeled icosahedral carboranes

    International Nuclear Information System (INIS)

    Edvenson, G.M.; Gaines, D.F.

    1990-01-01

    Thermal treatment of regiospecifically 10 B-enriched (96%) 3-( 10 B)-1,2-C 2 n B 9 H 12 and 2-( 10 B)-1,7-C 2 n B 9 H 12 ( n B = boron with normal isotopic abundances) followed by 10 B and 11 B NMR analysis reveal that (1) 3-( 10 B)-1,2-C 2 n B 9 H 12 undergoes rearrangements that completely scramble the enriched boron atom, (2) these rearrangements occur at a rate faster than the conversion of 1,2-C 2 B 10 H 12 to 1,7-C 2 B 10 H 12 , (3) the 1,7-C 2 B 10 H 12 that is formed does not re-form 1,2-C 2 B 10 H 12 at a detectable rate, and (4) at temperatures at which 1,2-C 2 B 10 H 12 forms 1,7-C 2 B 10 H 12 at a significant rate, the latter undergoes no further rearrangements. The movement of 10 B at 350 degree C in 1,2-C 2 B 10 H 12 is compared to the movement predicted by various isomerization mechanisms. The mechanism that appears to give the closest agreement involves a 12-vertex nido intermediate. It was found that a number of previously considered mechanisms, including simple exchange between two boron sites, triangular face rotation in an icosahedron, diamond-square-diamond twist, and rotation of pentagonal pyramids, are extensions of the nido intermediate mechanism. The synthesis and thermal rearrangement of 3-F-3-( 10 B)-1,2-C 2 n B 9 H 11 demonstrate that independent intramolecular fluorine migration does not occur during rearrangement. 27 refs., 7 figs

  14. Complete chemical transformation of a molecular film by subexcitation electrons (<3 eV).

    Science.gov (United States)

    Balog, Richard; Illenberger, Eugen

    2003-11-21

    The potential of slow electrons to act as a soft tool to control a chemical reaction in the condensed phase is demonstrated. By setting the energy of a well defined electron beam to values below 3 eV, the surface of a thin film of 1,2-C(2)F(4)C(l2) molecules can completely be transformed into molecular chlorine (and by-products, possibly perfluorinated polymers). At higher energies (>6 eV) some equilibrium state between product and educt composition can be achieved, however, accompanied by a gradual overall degradation of the film. The effect of complete transformation is based on both the selectivity and particular energy dependence of the initial step of the reaction which is dissociative electron attachment to C(2)F(4)C(l2), but also the fact that the initial molecule is efficiently decomposed by subexcitation electrons while the product C(l2) is virtually unaffected.

  15. g-factor of the 7/2+ isomeric bandhead in 175 W

    International Nuclear Information System (INIS)

    Ionescu-Bujor, M.; Iordachescu, A.; Marginean, N.; Brandolini, F.; Pavan, P.; Lenzi, S.M.; De Poli, M.; Gadea, A.; Martinez, T.; Medina, N.H.; Ribas, R.V.; Podolyak, Zs.

    2000-01-01

    Considerable effort is presently devoted to the investigation of the high-K isomers of multi-quasiparticle intrinsic structure systematically found in the deformed nuclei with Z=72-76 of the A ≅ 180 mass region. The configuration assignments for these isomers are based on measured static moments, as well as, on experimental branching ratios in the associated bands, from which (g K - g R )/Q 0 are derived. In the multi-quasiparticle state g-factor calculations, values taken from neighbouring odd-mass nuclei are generally used for the proton and neutron deformed single-particle g-factors. A good knowledge of these quantities is required for reliable high-K state g-factor evaluations. In the present work we report on the g-factor measurement for the low-lying J π = 7/2 + isomer bandhead in 175 W described by the neutron 7/2 + [633] Nilsson orbital. The isomeric state was populated in the 164 Dy( 16 O,5n) 175 W reaction using the 83 MeV pulsed 16 O beam (pulse width 1.5 ns, repetition period 800 ns) delivered by the LNL XTU-Tandem. The target consisted of 0.5 mg/cm 2 metallic 164 Dy on thick Pb backing which stopped the recoiling 175 W nuclei and the 16 O beam. The target was placed in an external magnetic field of 27.2(6) kG whose direction was periodically reversed. The 7/2 + isomeric state with T 1/2 = 216(6) ns and E x =234.9 keV de-excites by a dipole transition of 130.9 keV to the 5/2 - level. The angular distribution of the 130.9 keV gamma-ray has been observed time-differentially by using two planar Ge detectors placed at ± 135 angle with respect to the beam direction. The background corrected time spectra I(t,θ) obtained for the magnetic field direction up and down were used to form the experimental modulation ratio R exp (t)=[I↑(t,θ) - I ↓ (t,θ)]/[I↑(t,θ) + I ↓ (t,θ)]. The modulation pattern revealed Larmor oscillations with an amplitude strongly attenuated in time. The observed damping of the anisotropy has been attributed to quadrupole

  16. Ponjat samogo sebja / Ze'ev Hanin ; interv. Josef Kats

    Index Scriptorium Estoniae

    Hanin, Ze'ev

    2006-01-01

    Lääne tsivilisatsiooni katse seostada tähtsamad maailma poliitikasündmused Iisraeliga ei ole selle riigi süü ega teene, tegemist on euroopa tsivilisatsiooni sügava kriisiga - sellisel seisukohal on hiljuti Tallinna külastanud Bar-Ilani ülikooli õppejõud ja politoloog Ze'ev Hanin

  17. Naistepäev ikka hinnas / Ivar Jung

    Index Scriptorium Estoniae

    Jung, Ivar

    2003-01-01

    Kunstihoone galeriis Ivika Kivi ja Dagmar Kase näituse "ID 2002" taustal 8. III toimunud Reet Varblase organiseeritud seminarist "Naised, ühiskond, ilu ja hügieen". Linnagaleriis lõpetas Meiu Mündi maalinäituse Oksana Titova tantsuetendus. 9. III Pärnus Taave Tuutma kureeritud tegevuskunstipäev

  18. Developing of the EV charging and parking shed of BIPV

    Institute of Scientific and Technical Information of China (English)

    Wu Shaobo; Wei Chuanchuan; Yu Jiang

    2013-01-01

    Building-integrated photovoltaic (BIPV) is an important application way of solar photovoltaic power. The electric vehicle (EV) charging and parking shed of BIPV is the regeneration energy intellectual integration demonstration application system collection of photovoltaic (PV) grid power,PV off-grid power,EV charging and parking shed,and any part of the functions and their combination will be engaged in practical application on demand. The paper describes the PV shed system structure and design in detail with the present of its actual photos. The shed is 50 m long and 5.5 m wide and capable of parking 18 cars. Under the control of system intellectual con-troller,the power produced by PV from sunlight will charge the parking EV car prior to charging the storage bat-tery,charging the storage battery prior to grid power,grid power at last,and charge the EV by utility grid when it is a cloudy or rainy day.

  19. Ettelugemisepäev on tulekul / Krista Kumberg

    Index Scriptorium Estoniae

    Kumberg, Krista, 1959-

    2004-01-01

    Ettelugemispäevast, mil propageeritakse raamatute ettelugemist. Sisaldab ka muinasjuttu "Elasid kord eit ja taat..." ainsalt kutseliselt jutuvestjalt Eestis, Piret Päärilt. Vaata ka "Virumaa Teataja" 19. 10., lk. 4 pealkirjaga "Homne ettelugemispäev veedetakse koos raamatutega"

  20. The development of isomerization catalysts for production of high-octane products

    Energy Technology Data Exchange (ETDEWEB)

    Pedrosa, A.M. Garrido; Melo, D.M.A.; Araujo, A.S. [Universidade Federal do Rio Grande do Norte, Natal, RN (Brazil). Dept. de Quimica; Souza, M.J.B.; Silva, A.O.S. [Universidade Federal do Rio Grande do Norte, Natal, RN (Brazil). Dept. de Engenharia Quimica

    2004-07-01

    In current petroleum industry, paraffins larger than C5 are used for catalytic reform. The catalytic reform is one of the most important processes for petroleum refine in reason of all reactions they drive to production of high-octane products. Reformate has high-octane products, but they contain 60% aromatics. Isomerization of C5- C7 can improve the octane number. The octane number of n-heptane is zero and increases after isomerization. For tri branched C7, the octane number reaches 113, which is higher than that of benzene. So, isomerization of C5-C7 is suggested to be a reasonable way to replace or partly replace the catalytic reforming process. It can decrease aromatics content with enhancement of octane number. Liquid acid catalysts were widely used in chemical industry in past decades. However, they face strong environmental challenges. The heavy corrosion of the reactor system is one of the main problems. Thus, solid acid catalysts are investigated for the isomerization reactions. The aim of this work is to develop a catalysts for the production of reformate products. Isomerization is catalyzed by metal-acid bifunctional catalysts. The metal components aid in hydrogenation, while the support, such as, zirconium, clays or zeolites, is the acidic component. (author)

  1. Dehydrogenation and concurrent isomerization of n-butenes on mixed tin and antimony oxide catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Irvine, E.A.; Taylor, D.

    1978-01-01

    The dehydrogenation and concurrent isomerization of n-butenes on mixed tin and antimony oxide catalysts which had been outgassed at 698/sup 0/K were carried out in the presence of oxygen at 474/sup 0/K, and the initial approximately zero-order rates of 1,3-butadiene formation and rates of isomerization were used as a measure of catalytic activity to construct activity patterns as a function of catalyst composition. A comparison of the patterns with those for the isomerization of 3,3-dimethyl-1-butene and for the selective oxidation of propane on the same catalysts indicated that the dehydrogenation of 1-butene involves a m-allyl intermediate, but isomerization occurs through carbonium ion formation. For the cis- and trans-isomers, both reactions apparently occurred via a common allyl (but not m-allyl) intermediate. Dehydrogenation to butadiene decreased in the order 1-butene > cis-2-butene trans-2-butene and was maximum at 10% antimony for 1-butene and 21% antimony for 2-butene. Isomerization was always slower than dehydrogenation and showed two maEima, at 21 (or 27%) and at 75% antimony.

  2. Photo-double ionization of argon at 20 and 40 eV excess energy

    International Nuclear Information System (INIS)

    Bolognesi, P; Zitnik, M; Malegat, L; Selles, P; Turri, G; Coreno, M; Camilloni, R; Avaldi, L

    2004-01-01

    We have measured the triple differential cross section of the Ar 2+ 3p 4 ( 3 P e ) state at 20 and 40 eV excess energy in equal and unequal energy sharing conditions, respectively. The present results and previous data of the He 2+ ( 1 S e ) state measured in the same conditions have been represented by an exact parametrization of the triple differential cross section given by Malegat et al (1997 J. Phys. B: At. Mol. Opt. Phys. 30 251; 2002 J. Phys. B: At. Mol. Opt. Phys. 35 5169)

  3. Montecarlo calculation of the isomeric cross sections ratio for the reaction 237Np(n,2n)236Np

    International Nuclear Information System (INIS)

    Cleri, F.

    1988-01-01

    A Montecarlo calculation of the isomeric cross section ratio for the (n,2n) reaction on 237 Np has been carried out based on the Hauser-Feshbach formulation. A standard energy-dependent optical model potential was used, with zero deformation parameters and no spin-orbit coupling. Investigation was made about the role of the energy cut-off value, of the higher multipole (E2) transition, of the gamma-ray versus second neutron emission, of the value of the spin cutt-off parameter. The results give the correct qualitative energy dependence of the branching ratio, with the assumption that the 1 - level is the ground state. The spin cut-off value obtained indicates a less pronounced deviation of the nuclear moment of inertia from the rigid-body value, with respect to older evaluations for high-mass nuclei. (author)

  4. Photoabsorption and S 2p photoionization of the SF6 molecule: resonances in the excitation energy range of 200-280 eV.

    Science.gov (United States)

    Stener, M; Bolognesi, P; Coreno, M; O'Keeffe, P; Feyer, V; Fronzoni, G; Decleva, P; Avaldi, L; Kivimäki, A

    2011-05-07

    Photoabsorption and S 2p photoionization of the SF(6) molecule have been studied experimentally and theoretically in the excitation energy range up to 100 eV above the S 2p ionization potentials. In addition to the well-known 2t(2g) and 4e(g) shape resonances, the spin-orbit-resolved S 2p photoionization cross sections display two weak resonances between 200 and 210 eV, a wide resonance around 217 eV, a Fano-type resonance around 240 eV, and a second wide resonance around 260 eV. Calculations based on time-dependent density functional theory allow us to assign the 217-eV and 260-eV features to the shape resonances in S 2p photoionization. The Fano resonance is caused by the interference between the direct S 2p photoionization channel and the resonant channel that results from the participator decay of the S 2s(-1)6t(1u) excited state. The weak resonances below 210-eV photon energy, not predicted by theory, are tentatively suggested to originate from the coupling between S 2p shake-up photoionization and S 2p single-hole photoionization. The experimental and calculated angular anisotropy parameters for S 2p photoionization are in good agreement.

  5. Structural and spectral comparisons between isomeric benzisothiazole and benzothiazole based aromatic heterocyclic dyes

    Science.gov (United States)

    Wang, Yin-Ge; Wang, Yue-Hua; Tao, Tao; Qian, Hui-Fen; Huang, Wei

    2015-09-01

    A pair of isomeric heterocyclic compounds, namely 3-amino-5-nitro-[2,1]-benzisothiazole and 2-amino-6-nitrobenzothiazole, are used as the diazonium components to couple with two N-substituted 4-aminobenzene derivatives. As a result, two pairs of isomeric aromatic heterocyclic azo dyes have been produced and they are structurally and spectrally characterized and compared including single-crystal structures, electronic spectra, solvatochromism and reversible acid-base discoloration, thermal stability and theoretically calculations. It is concluded that both benzisothiazole and benzothiazole based dyes show planar molecular structures and offset π-π stacking interactions, solvatochromism and reversible acid-base discoloration. Furthermore, benzisothiazole based aromatic heterocyclic dyes exhibit higher thermal stability, larger solvatochromic effects and maximum absorption wavelengths than corresponding benzothiazole based ones, which can be explained successfully by the differences of their calculated isomerization energy, dipole moment and molecular band gaps.

  6. Synthesis, structure and isomerism of three-bridge exo-nido-osmacarborane clusters

    International Nuclear Information System (INIS)

    Kolomnikova, G.D.; Petrovskij, P.V.; Sorokin, P.V.; Dolgushin, F.M.; Yanovskij, A.I.; Chizhevskij, I.T.

    2001-01-01

    The structure and isomerism of exo-nido-osmacarboranes prepared by reaction between coordination-unsaturated complex OsCl 2 (PPh 3 ) 3 (Ph-phenyl) in benzene at 20 deg C and K + -salts of nido-dicarbaundecarborate anions were studied by the methods of 1 H and 11 B NMR (including usual and two-dimensional spectra) and X-ray diffraction analysis. It was ascertained that in the compounds prepared osmium-containing group is bound with nido-carborane ligand via three-center bonds, open pentagonal plane of carborane ligand being retained in the isomers. In it nature isomerism in the compounds mentioned is geometrical cis-trans-isomerism [ru

  7. Glucose isomerization in simulated moving bed reactor by Glucose isomerase

    Directory of Open Access Journals (Sweden)

    Eduardo Alberto Borges da Silva

    2006-05-01

    Full Text Available Studies were carried out on the production of high-fructose syrup by Simulated Moving Bed (SMB technology. A mathematical model and numerical methodology were used to predict the behavior and performance of the simulated moving bed reactors and to verify some important aspects for application of this technology in the isomerization process. The developed algorithm used the strategy that considered equivalences between simulated moving bed reactors and true moving bed reactors. The kinetic parameters of the enzymatic reaction were obtained experimentally using discontinuous reactors by the Lineweaver-Burk technique. Mass transfer effects in the reaction conversion using the immobilized enzyme glucose isomerase were investigated. In the SMB reactive system, the operational variable flow rate of feed stream was evaluated to determine its influence on system performance. Results showed that there were some flow rate values at which greater purities could be obtained.Neste trabalho a tecnologia de Leito Móvel Simulado (LMS reativo é aplicada no processo de isomerização da glicose visando à produção de xarope concentrado de frutose. É apresentada a modelagem matemática e uma metodologia numérica para predizer o comportamento e o desempenho de unidades reativas de leito móvel simulado para verificar alguns aspectos importantes para o emprego desta tecnologia no processo de isomerização. O algoritmo desenvolvido utiliza a abordagem que considera as equivalências entre as unidades reativas de leito móvel simulado e leito móvel verdadeiro. Parâmetros cinéticos da reação enzimática são obtidos experimentalmente usando reatores em batelada pela técnica Lineweaver-Burk. Efeitos da transferência de massa na conversão de reação usando a enzima imobilizada glicose isomerase são verificados. No sistema reativo de LMS, a variável operacional vazão da corrente de alimentação é avaliada para conhecer o efeito de sua influência no

  8. Impacts of daily intakes on the isomeric profiles of perfluoroalkyl substances (PFASs) in human serum.

    Science.gov (United States)

    Shan, Guoqiang; Wang, Zhi; Zhou, Lianqiu; Du, Pin; Luo, Xiaoxiao; Wu, Qiannian; Zhu, Lingyan

    2016-01-01

    Perfluoroalkyl substances (PFASs) have been well studied in human daily intake for assessment of potential health risks. However, little is known about the isomeric compositions of PFASs in daily intake and their impacts on isomeric profiles in humans. In this study, we investigated the occurrence of PFASs with isomeric analysis in various human exposure matrices including foodstuffs, tap water and indoor dust. Perfluorooctanesulfonate (PFOS) and/or perfluorooctanoate (PFOA) were predominant in these exposure matrices collected in Tianjin, China. In fish and meat, linear (n-) PFOA was enriched with a percentage of 92.2% and 99.6%, respectively. Although n-PFOS was higher in fish (84.8%) than in technical PFOS (ca. 70%), it was much lower in meat (63.1%) and vegetables (58.5%). Dietary intake contributed >99% of the estimated daily intake (EDI) for the general population. The isomeric profiles of PFOA and PFOS in human serum were predicted based on the EDI and a one-compartment, first-order pharmacokinetic model. The isomeric percentage of n-PFOA in the EDI (98.6%) was similar to that in human serum (predicted: 98.2%, previously measured: 99.7%) of Tianjin residents. The results suggest direct PFOA intake plays an important role in its isomeric compositions in humans. For PFOS, the predicted n-PFOS (69.3%) was much higher than the previously measured values (59.2%) in human serum. This implies that other factors, such as indirect exposure to PFOS precursors and multiple excretion pathways, may contribute to the lower percentage of n-PFOS in humans than of technical PFOS. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. NaSO2Ph Induced Exclusive Isomerization of 1,2-Allenyl Sulfoxides to 2-Alkynylic Phenyl Sulfoxides

    Institute of Scientific and Technical Information of China (English)

    傅春玲; 麻生明

    2005-01-01

    The clean isomerization of 1,2-allenyl sulfoxides in the presence of NaSO2Ph afforded 2-alkynylic phenyl sulfoxides in good yields and selectivities. Although strong base-catalyzed isomerization of allenes to alkynes is known, the mechanism for the current reaction is interesting for the obvious reason that NaSOEPh is a weak base.

  10. Coplanar equal energy-sharing 64.6 eV e-He triple differential cross sections

    International Nuclear Information System (INIS)

    Bray, I.; Fursa, D. V.

    1996-11-01

    Electron impact ionization of the ground state of helium is measured and calculated for the case of 64.6 eV incident electrons with coplanar outgoing 20 eV electrons. Various geometries are considered: symmetric, fixed θ A and fixed θ B - θ A . The method of calculation is the convergent close-coupling theory. This theory is able to reproduce the angular profiles in essentially all of these geometries, yet it yields a constant factor of approximately two lower cross sections than experiment. 14 refs., 4 figs

  11. A theoretical study on the geometry and spectroscopic properties of ground-state and local minima isomers of (CuS)n=2-6 clusters

    Science.gov (United States)

    Luque-Ceballos, Jonathan C.; Posada-Borbón, Alvaro; Herrera-Urbina, Ronaldo; Aceves, R.; Juárez-Sánchez, J. Octavio; Posada-Amarillas, Alvaro

    2018-03-01

    Spectroscopic properties of gas-phase copper sulfide clusters (CuS)n (n = 2-6) are calculated using Density Functional Theory (DFT) and time-dependent (TD) DFT approaches. The energy landscape of the potential energy surface is explored through a basin-hopping DFT methodology. Ground-state and low-lying isomer structures are obtained. The global search was performed at the B3PW91/SDD level of theory. Normal modes are calculated to validate the existence of optimal cluster structures. Energetic properties are obtained for the ground-state and isomer clusters and their relative energies are evaluated for probing isomerization. This is a few tenths of an eV, except for (CuS)2 cluster, which presents energy differences of ∼1 eV. Notable differences in the infrared spectra exist between the ground-state and first isomer structures, even for the (CuS)5 cluster, which has in both configurations a core copper pyramid. TDDFT provides the simulated absorption spectrum, presenting a theoretical description of optical absorption bands in terms of electronic excitations in the UV and visible regions. Results exhibit a significant dependence of the calculated UV/vis spectra on clusters size and shape regarding the ground state structures. Optical absorption is strong in the UV region, and weak or forbidden in the visible region of the spectrum.

  12. Isomeric ratio measurements for the radiative neutron capture 176Lu(n,γ at DANCE

    Directory of Open Access Journals (Sweden)

    Denis-Petit D.

    2017-01-01

    Full Text Available The isomeric ratios for the neutron capture reaction 176Lu(n,γ to the Jπ = 5/2−, 761.7 keV, T1/2 = 32.8 ns and the Jπ = 15/2+, 1356.9 keV, T1/2 = 11.1 ns levels of 177Lu, have been measured for the first time with the Detector for Advanced Neutron Capture Experiments (DANCE at the Los Alamos National Laboratory. These measured isomeric ratios are compared with TALYS calculations.

  13. Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water

    OpenAIRE

    Moliner, Manuel; Román-Leshkov, Yuriy; Davis, Mark E.

    2010-01-01

    The isomerization of glucose into fructose is a large-scale reaction for the production of high-fructose corn syrup (HFCS; reaction performed by enzyme catalysts) and recently is being considered as an intermediate step in the possible route of biomass to fuels and chemicals. Here, it is shown that a large-pore zeolite that contains tin (Sn-Beta) is able to isomerize glucose to fructose in aqueous media with high activity and selectivity. Specifically, a 10% (wt/wt) glucose solution containin...

  14. Kinetic and mass transfer studies on the isomerization of cellulose hydrolyzate using immobilized Streptomyces cells

    Energy Technology Data Exchange (ETDEWEB)

    Ghose, T K; Chand, S

    1978-01-01

    Streptomyces cells possessing glucose isomerase activity, heat-treated and confined within polyester sacs have been used in batch/continuous isomerization of enzymatically hydrolyzed microcrystalline cellulose. Conversion data at different concentrations of substrate closely follow the reactor performance equation based on the reaction kinetics. The effect of external film and pore diffusional resistances were experimentally found to be negligible. The dispersion effects in the packed bed column have been evaluated by pulse input tracer analysis. Continuous operation of the column to isomerize cellulose hydrolyzate (2.0 M glucose) showed an exponential deactivation of enzyme activity with a half-life of 447 h.

  15. Efficient Isomerization of Glucose to Fructose over Zeolites in Consecutive Reactions in Alcohol and Aqueous Media

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Paniagua, Marta; Melero, Juan A

    2013-01-01

    glucose isomerization to fructose and subsequent reaction with methanol to form methyl fructoside (step 1), followed by hydrolysis to re-form fructose after water addition (step 2). NMR analysis with (13)C-labeled sugars confirmed this reaction pathway. Conversion of glucose for 1 h at 120 °C with H......-USY (Si/Al = 6) gave a remarkable 55% yield of fructose after the second reaction step. A main advantage of applying alcohol media and a catalyst that combines Brønsted and Lewis acid sites is that glucose is isomerized to fructose at low temperatures, while direct conversion to industrially important...

  16. High-pressure liquid chromatographic determination of chlorphenesin carbamate and the beta-isomeric carbamate.

    Science.gov (United States)

    Beyer, W F

    1976-12-01

    A high-pressure liquid chromatographic assay was developed for the determination of chlorphenesin carbamate and its beta-isomeric carbamate. A single 4-mm i.d. X 30-cm column, prepacked with 10 micrometer fully porous silica gel particles, is used with 3% methanol in 50% water-saturated butyl chloride as the mobile phase. The procedure separates chlorphenesin carbamate from several possible impurities in addition to the beta-isomeric carbamate. The assay was applied to bulk drug and compressed tablets. The relative standard deviations for the assays of chlorphenesin carbamate and the beta-isomer are approximately 1 and 2%, respectively.

  17. Preparing isomerically pure beams of short-lived nuclei at JYFLTRAP

    Energy Technology Data Exchange (ETDEWEB)

    Eronen, T. [Department of Physics, University of Jyvaeskylae, P.O. Box 35 (YFL), FIN-40014 (Finland)], E-mail: tommi.eronen@jyu.fi; Elomaa, V.-V.; Hager, U.; Hakala, J.; Jokinen, A.; Kankainen, A.; Rahaman, S.; Rissanen, J.; Weber, C.; Aystoe, J. [Department of Physics, University of Jyvaeskylae, P.O. Box 35 (YFL), FIN-40014 (Finland)

    2008-10-15

    A new procedure to prepare isomerically clean samples of short-lived ions with a mass resolving power of more than 1 x 10{sup 5} has been developed at the JYFLTRAP tandem Penning trap system. The method utilises a dipolar rf-excitation of the ion motion with separated oscillatory fields in the precision trap. During a subsequent retransfer to the purification trap, the contaminants are rejected and as a consequence, the remaining bunch is isomerically cleaned. This newly-developed method is suitable for very high-resolution cleaning and is at least a factor of five faster than the methods used so far in Penning trap mass spectrometry.

  18. Collisions of singly and doubly charged ions with oxygen molecules in the energy range 1 - 1800 (3600) eV

    International Nuclear Information System (INIS)

    Kuen, I.; Howorka, F.

    1983-01-01

    Absolute cross sections for the excitation of optically emitting states in collisions of He + , Ne + , Ar + , Kr + , B + , He ++ , Ne ++ and Ar ++ with oxygen molecules are measured, the energy range of the ion being1 - 1800 eV Lab for the singly charged and 1 - 3600 eV for the doubly charged ions. Seven important processes can be distinguished: charge exchange excitation of O 2 + band, O I, O II, X I and X II lines (X + , X ++ being the primary ion), direct excitation of X II and double charge exchange excitations. The energy dependences of the excitation cross sections are remarkably different for different processes but similar for one process with different ions. The sum total of all cross sections together for excitations which lead to light emission is on the order of a few square angstroms at 1000 eV c.m. energy. The results are of interest for surface investigations, plasma diagnostics and laser work. (Author)

  19. Search for low spin superdeformed states by transfer reactions

    Energy Technology Data Exchange (ETDEWEB)

    Blons, J; Goutte, D; Lepretre, A; Lucas, R; Meot, V; Paya, D; Phan, X H [DAPNIA SPhN CE Saclay 91191 Gif sur Yvette (France); Barreau, G; Doan, T P; Pedemay, G [CENBG, 33175 Gradignan (France); Becker, J A; Stoyer, M A [LLNL, Livermore, CA (United States)

    1992-08-01

    We present a specific experimental technique aiming to observe superdeformed isomeric states. Preliminary results on two proton transfer reaction on platinum targets leading to {sup 194}Hg are shown. (author). 6 refs., 5 figs.

  20. Determination of the active site and mechanism for alkene isomerization in Cu(II) exchnaged Y-type zeolite

    Energy Technology Data Exchange (ETDEWEB)

    John, C S; Leach, H F

    1977-01-01

    An ESR study of 1-butene isomerization at 315/sup 0/-375/sup 0/C, 3,3-dimethyl-1-butene isomerization to 2,3-dimethyl-1- and -2-butene at 293/sup 0/K, and deuterium redistribution in 3,3-dideuteriopropene at 363/sup 0/-396/sup 0/K showed the presence of two copper(II) species in different environments, which reacted with the olefins at different rates. Although activation energies for the three reactions differed and only dideuteriopropene showed an induction period, a similar mechanism is proposed in all cases, involving preliminary reduction of copper(II), with the rates of reduction and isomerization differing from olefin to olefin. Apparently, the active site for the isomerization is a Broensted acid generated by the reduction, and the isomerization follows an associative (proton addition-elimination) mechanism with a carbonium ion intermediate. Spectra, graphs, diagram, and 12 references.

  1. Cascades from nu_E above 1020 eV

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Spencer R.

    2004-12-21

    At very high energies, the Landau-Pomeranchuk-Migdal effect reduces the cross sections for electron bremsstrahlung and photon e{sup +}e{sup -} pair production. The fractional electron energy loss and pair production cross sections drop as the energy increases. In contrast, the cross sections for photonuclear interactions grow with energy. In solids and liquids, at energies above 10{sup 20} eV, photonuclear reactions dominate, and showers that originate as photons or electrons quickly become hadronic showers. These electron-initiated hadronic showers are much shorter (due to the absence of the LPM effect), but wider than purely electromagnetic showers would be. This change in shape alters the spectrum of the electromagnetic and acoustic radiation emitted from the shower. These alterations have important implications for existing and planned searches for radiation from u{sub e} induced showers above 10{sup 20} eV, and some existing limits should be reevaluated.

  2. Fluctuations of approximatelly 1014 eV cosmic rays

    International Nuclear Information System (INIS)

    Erdoes, G.; Gombosi, T.; Kota, J.; Owens, A.J.; Somogyi, A.J.; Varga, A.

    1977-06-01

    It is shown that the approximately 6x10 13 eV primary cosmic ray flux, as observed in the Extensive Air Shower experiment on Musala Peak, has unexplained broad-band aperiodic fluctuations with an amplitude of 0.5%, a spectrum of 1/f, and time scales from days through a year. Possible sources of these fluctuations are discussed: instrumental drifts, data analysis techniques, meteorological effects, and scattering by interstellar electromagnetic field irregularities. (Sz.N.Z.)

  3. Tuning light-emitting properties of N-phenylcarbazole-capped anthrylvinyl derivatives by symmetric and isomeric effects

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Qingli; Wang, Jianfeng; Yin, Ling; Chen, Mingshuai [Key Laboratory of Rubber-Plastics of Ministry of Education/Shandong Province (QUST), School of Polymer Science & Engineering, Qingdao University of Science & Technology, 53-Zhengzhou Road, Qingdao 266042 (China); Xue, Shanfeng, E-mail: sfxue@qust.edu.cn [Key Laboratory of Rubber-Plastics of Ministry of Education/Shandong Province (QUST), School of Polymer Science & Engineering, Qingdao University of Science & Technology, 53-Zhengzhou Road, Qingdao 266042 (China); State Key Laboratory of Luminescent Materials and Devices, Institute of Polymer Optoelectronic Materials and Devices, South China University of Technology, Guangzhou 510640 (China); Yang, Wenjun, E-mail: ywjph2004@qust.edu.cn [Key Laboratory of Rubber-Plastics of Ministry of Education/Shandong Province (QUST), School of Polymer Science & Engineering, Qingdao University of Science & Technology, 53-Zhengzhou Road, Qingdao 266042 (China)

    2017-03-15

    This paper focuses on effects of molecular symmetry and isomerisation on light-emitting properties based on N-phenylcarbazole-capped anthrylvinyl derivatives. We have designed and synthesized three isomeric 10-(arylvinyl)anthracenes with N-phenylcarbazole as the mono aryl moiety whose 2-, 3-, or carbazole-9-yl-phenyl positions are linked, and their optical and electroluminescence properties are investigated and compared with analogous 9,10-bis(arylvinyl)anthracenes. The results showed that, contrary to the dual N-phenylcarbazole-capped analogues, the three mono N-phenylcarbazole-capped isomers have neither aggregation-induced emission nor mechanofluorochromism although they are characterized by twisted π-backbone and grinding-induced amorphization. It is observed that the mono substitution can significantly blue-shift the emission spectra and greatly improve the electroluminescence performances, accompanying by the remarkably isomeric effect. This finding demonstrates that changing the molecular substitution patterns could effectively alter and tune the light-emitting properties to greatly widen the scope of molecular candidates applicable in optical and optoelectronic fields. - Highlights: • Three monoN-phenylcarbazole-capped 10-vinylanthracenes are designed to investigate the geometric symmetry and isomer effects. • The three backbone-twisted luminogens do not exhibit AIE and MFC activity. • The grinding-induced amorphization does not necessarily cause the change in fluorescence color. • 10-Arylvinylanthracenes show the better EL performances than 9,10-di(aryl- vinyl)anthracenes. • Subtly manipulating molecular geometric symmetry could tune and alter the solid-state aggregation and stimuli-responsive behaviors.

  4. Cis-to- Trans Isomerization of Azobenzene Derivatives Studied with Transition Path Sampling and Quantum Mechanical/Molecular Mechanical Molecular Dynamics.

    Science.gov (United States)

    Muždalo, Anja; Saalfrank, Peter; Vreede, Jocelyne; Santer, Mark

    2018-04-10

    Azobenzene-based molecular photoswitches are becoming increasingly important for the development of photoresponsive, functional soft-matter material systems. Upon illumination with light, fast interconversion between a more stable trans and a metastable cis configuration can be established resulting in pronounced changes in conformation, dipole moment or hydrophobicity. A rational design of functional photosensitive molecules with embedded azo moieties requires a thorough understanding of isomerization mechanisms and rates, especially the thermally activated relaxation. For small azo derivatives considered in the gas phase or simple solvents, Eyring's classical transition state theory (TST) approach yields useful predictions for trends in activation energies or corresponding half-life times of the cis isomer. However, TST or improved theories cannot easily be applied when the azo moiety is part of a larger molecular complex or embedded into a heterogeneous environment, where a multitude of possible reaction pathways may exist. In these cases, only the sampling of an ensemble of dynamic reactive trajectories (transition path sampling, TPS) with explicit models of the environment may reveal the nature of the processes involved. In the present work we show how a TPS approach can conveniently be implemented for the phenomenon of relaxation-isomerization of azobenzenes starting with the simple examples of pure azobenzene and a push-pull derivative immersed in a polar (DMSO) and apolar (toluene) solvent. The latter are represented explicitly at a molecular mechanical (MM) and the azo moiety at a quantum mechanical (QM) level. We demonstrate for the push-pull azobenzene that path sampling in combination with the chosen QM/MM scheme produces the expected change in isomerization pathway from inversion to rotation in going from a low to a high permittivity (explicit) solvent model. We discuss the potential of the simulation procedure presented for comparative calculation of

  5. Anticonvulsant effects of isomeric nonimidazole histamine H3 receptor antagonists

    Directory of Open Access Journals (Sweden)

    Sadek B

    2016-11-01

    , in which 3-piperidinopropan-1-ol in ligand 2 was replaced by (4-(3-(piperidin-1-ylpropoxyphenylmethanol, and its (S-enantiomer (4 significantly and in a dose-dependent manner reduced convulsions or exhibited full protection in MES and PTZ convulsions model, respectively. Interestingly, the protective effects observed for the (R-enantiomer (3 in MES model were significantly greater than those of the standard H3R inverse agonist/antagonist pitolisant, comparable with those observed for PHT, and reversed when rats were pretreated with the selective H3R agonist R-(α-methyl-histamine. Comparisons of the observed antagonistic in vitro affinities among the ligands 1–6 revealed profound stereoselectivity at human H3Rs with varying preferences for this receptor subtype. Moreover, the in vivo anticonvulsant effects observed in this study for ligands 1–6 showed stereoselectivity in different convulsion models in male adult rats. Keywords: histamine, H3 receptor, isomeric antagonists, anticonvulsant activity, stereo­selectivity

  6. Fission cross section of 245Cm from 10-3 eV to 104 eV

    International Nuclear Information System (INIS)

    White, R.M.; Browne, J.C.; Howe, R.E.; Landrum, J.H.; Becker, J.A.

    1979-01-01

    The neutron-induced fission cross section of 245 Cm measured from .001 eV to 10 keV using the LLL 100-MeV Linac. The resonance data are analyzed with a multilevel-multichannel R-matrix code. The statistical distribution of R-matrix parameters extracted from the analysis are investigated and comparisons are made with previous work. 4 reference

  7. Elucidation of structural isomers from the homogeneous rhodium-catalyzed isomerization of vegetable oils.

    Science.gov (United States)

    Andjelkovic, Dejan D; Min, Byungrok; Ahn, Dong; Larock, Richard C

    2006-12-13

    The structural isomers formed by the homogeneous rhodium-catalyzed isomerization of several vegetable oils have been elucidated. A detailed study of the isomerization of the model compound methyl linoleate has been performed to correlate the distribution of conjugated isomers, the reaction kinetics, and the mechanism of the reaction. It has been shown that [RhCl(C8H8)2]2 is a highly efficient and selective isomerization catalyst for the production of highly conjugated vegetable oils with a high conjugated linoleic acid (CLA) content, which is highly desirable in the food industry. The combined fraction of the two major CLA isomers [(9Z,11E)-CLA and (10E,12Z)-CLA] in the overall CLA mixture is in the range from 76.2% to 93.4%. The high efficiency and selectivity of this isomerization method along with the straightforward purification process render this approach highly promising for the preparation of conjugated oils and CLA. Proposed improvements in catalyst recovery and reusability will only make this method more appealing to the food, paint, coating, and polymer industries in the future.

  8. Left atrial isomerism associated with asplenia: prenatal echocardiographic detection of complex congenital cardiac malformations

    NARCIS (Netherlands)

    Stewart, P. A.; Becker, A. E.; Wladimiroff, J. W.; Essed, C. E.

    1984-01-01

    Complex congenital heart disease with suspected isomerism of the atria was diagnosed in two fetuses of 20 and 29 weeks' gestation using two-dimensional and M-mode scanning techniques. The first pregnancy was terminated at 21 weeks' gestation and stillbirth occurred at 31 weeks' gestation in the

  9. Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations

    Czech Academy of Sciences Publication Activity Database

    Škultéty, L'udovít; Fryčák, P.; Qiu, CL.; Smuts, J.; Shear-Laude, L.; Lemr, Karel; Mao, J.X.; Kroll, P.; Schug, K. A.; Szewczak, A.; Vaught, C.; Lurie, I.; Havlíček, Vladimír

    2017-01-01

    Roč. 971, JUNE 8 (2017), s. 55-67 ISSN 0003-2670 R&D Projects: GA MŠk(CZ) LO1509 Institutional support: RVO:61388971 Keywords : Gas phase absorption * Time-dependent density functional theory * Isomeric drugs Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry Impact factor: 4.950, year: 2016

  10. Ligand induced structural isomerism in phosphine coordinated gold clusters revealed by ion mobility mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ligare, Marshall R.; Baker, Erin M.; Laskin, Julia; Johnson, Grant E.

    2017-01-01

    Structural isomerism in ligated gold clusters is revealed using electrospray ionization ion mobility spectrometry mass spectrometry. Phosphine ligated Au8 clusters are shown to adopt more “extended” type structures with increasing exchange of methyldiphenylphosphine (MePPh2) for triphenylphosphine (PPh3). These ligand-dependant structure-property relationships are critical to applications of clusters in catalysis.

  11. Phase space conduits for reaction in multidimensional systems : HCN isomerization in three dimensions

    NARCIS (Netherlands)

    Waalkens, Holger; Burbanks, Andrew; Wiggins, Stephen

    2004-01-01

    The three-dimensional hydrogen cyanide/isocyanide isomerization problem is taken as an example to present a general theory for computing the phase space structures which govern classical reaction dynamics in systems with an arbitrary (finite) number of degrees of freedom. The theory, which is

  12. The Isomerization of (-)-Menthone to (+)-Isomenthone Catalyzed by an Ion-Exchange Resin

    Science.gov (United States)

    Ginzburg, Aurora L.; Baca, Nicholas A.; Hampton, Philip D.

    2014-01-01

    A traditional organic chemistry laboratory experiment involves the acid-catalyzed isomerization of (-)-menthone to (+)-isomenthone. This experiment generates large quantities of organic and aqueous waste, and only allows the final ratio of isomers to be determined. A "green" modification has been developed that replaces the mineral acid…

  13. The isomerization of allylrhodium intermediates in the rhodium-catalyzed nucleophilic allylation of cyclic imines.

    Science.gov (United States)

    Hepburn, Hamish B; Lam, Hon Wai

    2014-10-20

    Allylrhodium species generated from potassium allyltrifluoroborates can undergo isomerization by 1,4-rhodium(I) migration to give more complex isomers, which then react with cyclic imines to provide products with up to three new stereochemical elements. High enantioselectivities are obtained using chiral diene-rhodium complexes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Promotion or suppression of glucose isomerization in subcritical aqueous straight- and branched-chain alcohols.

    Science.gov (United States)

    Gao, Da-Ming; Kobayashi, Takashi; Adachi, Shuji

    2015-01-01

    The influence of water-miscible alcohols (methanol, 1-propanol, 2-propanol, and t-butyl alcohol) on the isomerization of glucose to fructose and mannose was investigated under subcritical aqueous conditions (180-200 °C). Primary and secondary alcohols promoted the conversion and isomerization of glucose to afford fructose and mannose with high and low selectivity, respectively. On the other hand, the decomposition (side-reaction) of glucose was suppressed in the presence of the primary and secondary alcohols compared with that in subcritical water. The yield of fructose increased with increasing concentration of the primary and secondary alcohols, and the species of the primary and secondary alcohols tested had little effect on the isomerization behavior of glucose. In contrast, the isomerization of glucose was suppressed in subcritical aqueous t-butyl alcohol. Both the conversion of glucose and the yield of fructose decreased with increasing concentration of t-butyl alcohol. In addition, mannose was not detected in reactions using subcritical aqueous t-butyl alcohol.

  15. Linkage isomerism in trimeric and polymeric 2,3-cis-procyanindins

    Science.gov (United States)

    Richard W. Hemingway; Lai Yeap Foo; Lawrence J. Porter

    1982-01-01

    Procyanindins polymers consist of chains of 5,7,3',4'-tetrahydroxyflavan-3-ol units linked by C(4)-C(6) or C(4)-C(8) bonds.1 Whereas the procyanidin-B group of dimers are known to exist as pairs of isomers with common flavan-3-ol units, but different interflavanoid linkages,2,3 the extent of such isomerism in...

  16. Polymeric proanthocyanidins: Interflavanoid linkage isomerism in (epicatechin-4)-(epicatechin-4)-catechin procyanidins

    Science.gov (United States)

    Richard W. Hemingway; L. Yeap Foo; L. J. Porter

    1981-01-01

    Procyanidin trimers have been isolated from a variety of plants,1-3 but their structures remain unresolved. We have now isolated three configurational isomers of (epicatechin-4)-(epicatechin-4)-catechin from Pinus taeda L. (loblolly pine) phloem which exhibit isomerism of the interflavanoid linkages.

  17. Palladium Hydride Promoted Stereoselective Isomerization of Unactivated Di(exo)methylenes to Endocyclic Dienes

    OpenAIRE

    Jung, Michael E.; Lee, Gloria S.; Pham, Hung V.; Houk, K. N.

    2014-01-01

    The exomethylenes of 2,6-disubstituted bicyclo[3.3.1]nonan-9-ones 2 are readily isomerized over a palladium catalyst under an atmosphere of hydrogen to predominantly form the isomer 3 with C 2 symmetry with very little formation of the analogous product with C s symmetry. A hydrogen source is essential to effect the rearrangement.

  18. Isomeric Diruthenium Complexes Bridged by Deprotonated Indigo in cis and trans Configuration

    Czech Academy of Sciences Publication Activity Database

    Chatterjee, M.; Ghosh, P.; Beyer, K.; Paretzki, A.; Fiedler, Jan; Kaim, W.; Lahiri, G. K.

    2018-01-01

    Roč. 13, č. 1 (2018), s. 118-125 ISSN 1861-4728 Institutional support: RVO:61388955 Keywords : isomerism * ruthenium * spectroelectrochemistry * structure Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.083, year: 2016

  19. Recombination in the evolution of enterovirus C species sub-group that contains types CVA-21, CVA-24, EV-C95, EV-C96 and EV-C99.

    Directory of Open Access Journals (Sweden)

    Teemu Smura

    Full Text Available Genetic recombination is considered to be a very frequent phenomenon among enteroviruses (Family Picornaviridae, Genus Enterovirus. However, the recombination patterns may differ between enterovirus species and between types within species. Enterovirus C (EV-C species contains 21 types. In the capsid coding P1 region, the types of EV-C species cluster further into three sub-groups (designated here as A-C. In this study, the recombination pattern of EV-C species sub-group B that contains types CVA-21, CVA-24, EV-C95, EV-C96 and EV-C99 was determined using partial 5'UTR and VP1 sequences of enterovirus strains isolated during poliovirus surveillance and previously published complete genome sequences. Several inter-typic recombination events were detected. Furthermore, the analyses suggested that inter-typic recombination events have occurred mainly within the distinct sub-groups of EV-C species. Only sporadic recombination events between EV-C species sub-group B and other EV-C sub-groups were detected. In addition, strict recombination barriers were inferred for CVA-21 genotype C and CVA-24 variant strains. These results suggest that the frequency of inter-typic recombinations, even within species, may depend on the phylogenetic position of the given viruses.

  20. Lithium-polymer batteries for EV applications. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, J.O. [Uppsala Univ. (Sweden). Dept. of Inorganic Chemistry

    2000-05-01

    The project initially held a strong 'battery materials' profile, but has moved in its final year into more 'battery engineering' aspects; the performances of a range of potential materials have been screened, and candidates have emerged. It is noteworthy that these same materials have also now become 'best-choice' materials in commercial Japanese Li-ion batteries for mobile-phone, lap-top and, more recently, even electric-vehicle (EV) applications. It is now clear that the Li-ion (polymer) battery offers a genuinely viable option in electric and electric-hybrid vehicle concepts. Specifically, our work has involved synthetic, structural, morphological and electrochemical studies of lithium insertion mechanisms in TMO-based cathodes (LiMn{sub 2}O{sub 4}, V{sub 6}O{sub 13}, LiCoO{sub 2}, LiFePO{sub 4}, etc) and graphitic carbon anodes. Performance has been optimised from cell capacity, power, shelf-life and safety viewpoints. Cost has also emerged as a critical variable. Novel methods have been developed within the project for elevated-temperature battery studies (up to 80 deg C); they have become widely applied internationally. The electrode materials which have been developed have subsequently been incorporated into laboratory-scale lithium-ion battery prototypes, whose performance has then been evaluated. The final phase of the project has focussed on a new cathode material (LiFePO{sub 4}) not in current commercial use and yet ideally suited to EV application by virtue of its cheapness, high capacity (ca 170 mAh/g), high voltage vs. Li (3.5V), and extremely flat discharge curve. This could well prove to be the 'best compromise' Li-ion battery cathode for EV applications in the future.

  1. "Iga päev..." : [luuletused] / Doris Kareva

    Index Scriptorium Estoniae

    Kareva, Doris, 1958-

    2001-01-01

    Tekst eesti ja inglise k. D. Kareva lühibiograafia eesti ja inglise k. lk. 175. Sisu: "Iga päev..." = "Every day..." ; "Ma nägin unes - Saatan kõneles..." = "I dream that I heard Satan speak..." ; "Viib sünnieelsest unest surmaunne..." = "Rainbow-coloured confusion bears us..." ; "Vaadeldes vikerkaarlevat maailma..." = "Viewing the rainbowing world..." ; "Ei jõua kirjutada puhtandit..." = "No time to write the final draft..." ; "Põletatud luuletused..." = ""Burnt poems..." ; Fraktalia ; Müsteerium 1-5 = Enigma 1-5 ; "Jumal juhtub..." = "God happens..." ; Moira 1-7 = Wishing well 1-7 ; Concerto strumenti e voce

  2. Secondary Use of PHEV and EV Batteries: Opportunities & Challenges (Presentation)

    Energy Technology Data Exchange (ETDEWEB)

    Neubauer, J.; Pesaran, A.; Howell, D.

    2010-05-01

    NREL and partners will investigate the reuse of retired lithium ion batteries for plug-in hybrid, hybrid, and electric vehicles in order to reduce vehicle costs and emissions and curb our dependence on foreign oil. A workshop to solicit industry feedback on the process is planned. Analyses will be conducted, and aged batteries will be tested in two or three suitable second-use applications. The project is considering whether retired PHEV/EV batteries have value for other applications; if so, what are the barriers and how can they be overcome?

  3. Online characterization of isomeric/isobaric components in the gas phase of mainstream cigarette smoke by tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry and photoionization efficiency curve simulation.

    Science.gov (United States)

    Pan, Yang; Hu, Yonghua; Wang, Jian; Ye, Lili; Liu, Chengyuan; Zhu, Zhixiang

    2013-12-17

    A newly developed, qualitative and quantitative method based on tunable synchrotron radiation vacuum ultraviolet photoionization time-of-flight mass spectrometry (SR-VUV-PI-TOFMS) and photoionization efficiency (PIE) curve simulation was applied for the online analysis of isomers and isobaric compounds in the gas phase of mainstream cigarette smoke. After blocking the particulate phase components by the Cambridge filter pad, a puff of fresh gas-phase cigarette smoke was immediately introduced into a vacuum ionization chamber through a heated capillary, then was photoionized, and analyzed by a TOF mass spectrometer. The PIE curves for the mass peaks up to m/z = 106 were measured between 8.0 and 10.7 eV. Some components could be directly identified by their discriminated ionization energies (IEs) on the PIE curve. By simulating the PIE curve with the sum of scaled absolute photoionization cross sections (PICSs), complex isomeric/isobaric compounds along with their mole fractions could be obtained when the best-fitting was realized between experimental and simulated PIE curves. A series of reported toxic compounds for quantification, such as 1,3-butadiene (m/z = 54), 1,3-cyclopentadiene (m/z = 66), benzene (m/z = 78), xylene (m/z = 106), 2-propenal (m/z = 56), acetone and propanal (m/z = 58), crotonaldehyde (m/z = 70), furan and isoprene (m/z = 68), were all found to have other isomers and/or isobaric compounds with considerable abundances. Some isomers have never been reported previously in cigarette smoke, like C5H6 isomers 1-penten-3-yne, 3-penten-1-yne, and 1-penten-4-yne at m/z = 66. Isomeric/isobaric compounds characterization for the mass peaks and mole fraction calculations were discussed in detail below 10.7 eV, an energy value covering several conventional used VUV light sources.

  4. Revisiting the polytopal rearrangements in penta-coordinate d7-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization.

    Science.gov (United States)

    Asatryan, Rubik; Ruckenstein, Eli; Hachmann, Johannes

    2017-08-01

    This paper provides a first-principles theoretical investigation of the polytopal rearrangements and fluxional behavior of five-coordinate d 7 -transition metal complexes. Our work is primarily based on a potential energy surface analysis of the iron tetracarbonyl hydride radical HFe˙(CO) 4 . We demonstrate the existence of distorted coordination geometries in this prototypical system and, for the first time, introduce three general rearrangement mechanisms, which account for the non-ideal coordination. The first of these mechanisms constitutes a modified version of the Berry pseudorotation via a square-based pyramidal C 4v transition state that connects two chemically identical edge-bridged tetrahedral stereoisomers of C 2v symmetry. It differs from the classical Berry mechanism, which involves two regular D 3h equilibrium structures and a C 4v transition state. The second mechanism is related to the famous "tetrahedral jump" hypothesis, postulated by Muetterties for a number of d 6 HML 4 and H 2 ML 4 complexes. Here, our study suggests two fluxional rearrangement pathways via distinct types of C 2v transition states. Both pathways of this mechanism can be described as a single-ligand migration to a vacant position of an "octahedron", thus interchanging (switching) the apical and basal ligands of the initial quasi-square pyramidal isomer, which is considered as an idealized octahedron with a vacancy. Accordingly, we call this mechanism "octahedral switch". The third mechanism follows a butterfly-type isomerization featuring a key-angle deformation, and we thus call it "butterfly isomerization". It connects the quasi-square pyramidal and edge-bridged tetrahedral isomers of HFe˙(CO) 4 through a distorted edge-bridged tetrahedral transition state of C s symmetry. Our paper discusses the overall features of the isomers and rearrangement mechanisms as well as their implications. We rationalize the existence of each stationary point through an electronic structure

  5. Protective effect of enterovirus‑71 (EV71) virus‑like particle vaccine against lethal EV71 infection in a neonatal mouse model.

    Science.gov (United States)

    Cao, Lei; Mao, Fengfeng; Pang, Zheng; Yi, Yao; Qiu, Feng; Tian, Ruiguang; Meng, Qingling; Jia, Zhiyuan; Bi, Shengli

    2015-08-01

    Enterovirus-71 (EV71) is a viral pathogen that causes severe cases of hand, foot and mouth disease (HFMD) among young children, with significant mortality. Effective vaccines against HFMD are urgently required. Several EV71 virus-like particle (VLP) vaccine candidates were found to be protective in the neonatal mouse EV71 challenge model. However, to what extent the VLP vaccine protects susceptible organs against EV71 infection in vivo has remained elusive. In the present study, the comprehensive immunogenicity of a potential EV71 vaccine candidate based on VLPs was evaluated in a neonatal mouse model. Despite lower levels of neutralizing antibodies to EV71 in the sera of VLP-immunized mice compared with those in mice vaccinated with inactivated EV71, the VLP-based vaccine was shown to be able to induce immunoglobulin (Ig)G and IgA memory-associated cellular immune responses to EV71. Of note, the EV71 VLP vaccine candidate was capable of inhibiting viral proliferation in cardiac muscle, skeletal muscle, lung and intestine of immunized mice and provided effective protection against the pathological damage caused by viral attack. In particular, the VLP vaccine was able to inhibit the transportation of EV71 from the central nervous system to the muscle tissue and greatly protected muscle tissue from infection, along with recovery from the viral infection. This led to nearly 100% immunoprotective efficacy, enabling neonatal mice delivered by VLP-immunized female adult mice to survive and grow with good health. The present study provided valuable additional knowledge of the specific protective efficacy of the EV71 VLP vaccine in vivo, which also indicated that it is a promising potential candidate for being developed into an EV71 vaccine.

  6. Information Spreadsheet for Engines and Vehicles Compliance Information System (EV-CIS) User Registration

    Science.gov (United States)

    In this spreadsheet, user(s) provide their company’s manufacturer code, user contact information for EV-CIS, and user roles. This spreadsheet is used for the Company Authorizing Official (CAO), CROMERR Signer, and EV-CIS Submitters.

  7. 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.

  8. Storage Application in Smart Grid with High PV and EV Penetration

    DEFF Research Database (Denmark)

    Hashemi Toghroljerdi, Seyedmostafa; Yang, Guangya; Østergaard, Jacob

    2013-01-01

    grids with residential PVs and Electric Vehicles (EVs). The effect of EV home charging on EESS capacity in high PV penetration is also addressed. The results indicate that increasing the EV penetration in the network can decrease the EESS capacity need. This decrease is highest in situations with low PV...

  9. A Decentralized Model for Coordinated Operation of Distribution Network and EV Aggregators

    DEFF Research Database (Denmark)

    Mohiti, Maryam; Mazidi, Mohammadreza; Monsef, Hassan

    2018-01-01

    With the rapid growth of electrical vehicles (EVs) in distribution networks (DNs), EV aggregators have been introduced as mediators between these two entities. EV aggregators and DN should be operated coordinately to bring potential benefits to both sides. In this paper, a decentralized model...

  10. Distinguishing PCB Isomeric Congeners with their Gas Chromatographic and Mass Spectrometric Ortho Effect using Comprehensive Gas Chromatography

    Science.gov (United States)

    The 209 polychlorinated biphenyl (PCB) congeners and associated nine isomeric groups (nine groups of PCBs with the same degree of chlorination) have been long recorded as high endocrine disrupting chemicals in the environment. Difficult analytical problems exist, in those frequen...

  11. A Novel Recombinant Enterovirus Type EV-A89 with Low Epidemic Strength in Xinjiang, China.

    Science.gov (United States)

    Fan, Qin; Zhang, Yong; Hu, Lan; Sun, Qiang; Cui, Hui; Yan, Dongmei; Sikandaner, Huerxidan; Tang, Haishu; Wang, Dongyan; Zhu, Zhen; Zhu, Shuangli; Xu, Wenbo

    2015-12-21

    Enterovirus A89 (EV-A89) is a novel member of the EV-A species. To date, only one full-length genome sequence (the prototype strain) has been published. Here, we report the molecular identification and genomic characterization of a Chinese EV-A89 strain, KSYPH-TRMH22F/XJ/CHN/2011, isolated in 2011 from a contact of an acute flaccid paralysis (AFP) patient during AFP case surveillance in Xinjiang China. This was the first report of EV-A89 in China. The VP1 coding sequence of this strain demonstrated 93.2% nucleotide and 99.3% amino acid identity with the EV-A89 prototype strain. In the P2 and P3 regions, the Chinese EV-A89 strain demonstrated markedly higher identity than the prototype strains of EV-A76, EV-A90, and EV-A91, indicating that one or more recombination events between EV-A89 and these EV-A types might have occurred. Long-term evolution of these EV types originated from the same ancestor provides the spatial and temporal circumstances for recombination to occur. An antibody sero-prevalence survey against EV-A89 in two Xinjiang prefectures demonstrated low positive rates and low titres of EV-A89 neutralization antibody, suggesting limited range of transmission and exposure to the population. This study provides a solid foundation for further studies on the biological and pathogenic properties of EV-A89.

  12. EV M-experiment in radiation material science

    International Nuclear Information System (INIS)

    Ganeev, G.Z.; Kislitsin, S.B.; Pyatiletov, Yu.S.; Turkebaev, T.Eh.; Tyupkina, O.G.

    1999-01-01

    To simulate rapid processes in materials, rearrangement at the atomic level, or processes in which the access to the materials is limited or considered to be hazardous, the EV M-experiment is going to be applied more often in the atomic material science (calculating experiment, computer-aided simulation). This paper presents the most important outcomes obtained from the calculating experiment carried out by scientists of the Institute of Nuclear Physics of NNC RK, who are considered to be followers of the scientific school named after Kirsanov V.V. The review consists of the following sections: 1. Simulation of dynamic processes of radiation damage of materials. 2. Simulation of radiation defects in materials. 3. Simulation of radiation defects migration processes in crystals. 4. Simulation of irradiated materials failure and deformation processes

  13. Mobile metering. Enabling cost-efficient smart charging for EVs

    Energy Technology Data Exchange (ETDEWEB)

    Hechtfischer, Knut; Pawlitschek, Frank [ubitricity GmbH, Berlin (Germany); Berg, Andreas [VOLTARIS, Merzig (Germany)

    2012-07-01

    Users of electric vehicles want to and should be mobile with the least possible limitations. A fundamental requirement is an affordable and easy to use charging infrastructure that allows charging of the vehicle, if achievable wherever the EV is parked. ubitricity and VOLTARIS are developing and testing the On-Board Metering system and the underlying business and security concepts for such an ubiquitous charging infrastructure for electric mobility. Further leading partners are supporting the project that is being co-funded by research grants of the German Federal Ministry of Economics and Technology. The basic idea is to install metering and communication technology inside the car to generate the information required for billing processes. (orig.)

  14. Efficient assembly of polysubstituted pyrroles via a (3 + 2) cycloaddition/skeletal rearrangement/redox isomerization cascade reaction.

    Science.gov (United States)

    Yu, Yuanyuan; Wang, Chunyu; He, Xinze; Yao, Xiaotong; Zu, Liansuo

    2014-07-03

    An unprecedented cascade strategy, used in conjunction with a redox isomerization, for the synthesis of 3-allyl pyrroles is reported. In a single step, readily accessible simple starting materials are transformed into highly substituted pyrroles with high efficiency. The products obtained contain allyl substituents, which can be readily elaborated to other useful functional groups. The reaction proceeds through an unusual (3 + 2) cycloaddition/skeletal rearrangement/redox isomerization pathway.

  15. Synthesis of Isomeric Phosphoubiquitin Chains Reveals that Phosphorylation Controls Deubiquitinase Activity and Specificity

    Directory of Open Access Journals (Sweden)

    Nicolas Huguenin-Dezot

    2016-07-01

    Full Text Available Ubiquitin is post-translationally modified by phosphorylation at several sites, but the consequences of these modifications are largely unknown. Here, we synthesize multi-milligram quantities of ubiquitin phosphorylated at serine 20, serine 57, and serine 65 via genetic code expansion. We use these phosphoubiquitins for the enzymatic assembly of 20 isomeric phosphoubiquitin dimers, with different sites of isopeptide linkage and/or phosphorylation. We discover that phosphorylation of serine 20 on ubiquitin converts UBE3C from a dual-specificity E3 ligase into a ligase that primarily synthesizes K48 chains. We profile the activity of 31 deubiquitinases on the isomeric phosphoubiquitin dimers in 837 reactions, and we discover that phosphorylation at distinct sites in ubiquitin can activate or repress cleavage of a particular linkage by deubiquitinases and that phosphorylation at a single site in ubiquitin can control the specificity of deubiquitinases for distinct ubiquitin linkages.

  16. [Isomeric derivatives of lupinine and epilupinine--organophosphorus inhibitors of cholinesterases].

    Science.gov (United States)

    Basova, N E; Kormilitsyn, B N; Perchenok, A Iu; Rosengart, E V; Saakov, V S; Suvorov, A A

    2012-01-01

    The isomeric-structure analysis data of anticholinesterase action of organophosphorous inhibitors with similar structure help in the search of specific effectors and detection of differences in reactivity of various animals' enzymes. This study compared the data of efficacy in respect of 4 mammal and 5 arthropoda cholinesterase preparations for 26 quinolizidine inhibitors, which molecules contain both the isomeric unbranched and branched alkoxyl radicals in the phosphoryl group, and the epimeric lupinine and epilupinine derivatives in the leaving group. The changes in the alkoxyl radical structure of inhibitor molecules act on their efficacy only with respect to the mammal enzymes ("group" inhibitor specificity). The differences between lupinine and epilupinine derivatives were revealed. Highly specific inhibitors of different enzymes were detected among the tested compounds.

  17. An isomerization-induced cage-breaking process in a molecular glass former below Tg

    International Nuclear Information System (INIS)

    Teboul, V.; Saiddine, M.; Accary, J.-B.; Nunzi, J.-M.

    2011-01-01

    A recent experimental [P. Karageorgiev, D. Neher, B. Schulz, B. Stiller, U. Pietsch, M. Giersig, L. Brehmer, Nature Mater. 4, 699 (2005)] study has found liquidlike diffusion below the glass-transition temperature in azobenzene-containing materials under irradiation. This result suggests that the isomerization-induced massive mass transport that leads to surface relief gratings formation in these materials, is induced by this huge increase of the matrix diffusion coefficient around the probe. In order to investigate the microscopic origin of the increase of the diffusion, we use molecular dynamics simulations of the photoisomerization of probe dispersed red 1 molecules dispersed inside a glassy molecular matrix. Results show that the increased diffusion is due to an isomerization-induced cage-breaking process. A process that explains the induced cooperative motions recently observed in these photoactive materials.

  18. Catalytic Isomerization of Dihydroxyacetone to Lactic Acid and Alkyl Lactates over Hierarchical Zeolites Containing Tin

    Directory of Open Access Journals (Sweden)

    Agnieszka Feliczak-Guzik

    2018-01-01

    Full Text Available Hierarchical zeolites containing tin were obtained, characterized and used in a reaction of catalytic isomerization of dihydroxyacetone (DHA to lactic acid and alkyl lactates. These catalysts are characterized by preserved crystallinity and primary microporosity with the simultaneous existence of secondary porosity regarding mesopores, which facilitates access of large molecules of reagents to active centers. Creation of additional porosity was confirmed by X-ray diffraction and low-temperature nitrogen adsorption/desorption studies. The reaction of dihydroxyacetone isomerization was conducted in different reaction media such as methanol, ethanol or water with the use of two heating methods: microwave radiation and conventional heating. The application of microwave radiation enabled to reduce the reaction time to 1 h and achieve dihydroxyacetone conversion of >90% and high yields of the desired reaction products.

  19. Measurement of millisecond half-lives of isomeric levels in some nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Garg, K C; Khurana, C S [Punjabi Univ., Patiala (India). Nuclear Science Labs.

    1976-09-01

    Half-lives of 2.7, 14.5, 17, 20, 20.4, 44 and 2230 msec, of isomeric levels in /sup 208/Bi, /sup 88/Y, /sup 75/As, /sup 24/Na, /sup 71/Ge, /sup 114/In and /sup 167/Er respectively have been measured, employing on-line irradiation system. These millisecond isomeric levels are produced by 14.7 MeV neutrons through (n,p), (n,..cap alpha..), (n,n') and (n,2n) reactions on natural target samples. A ..gamma..-ray scintillation detector coupled with NTA-512B, 1024 channel analyzer has been used to follow the decay of the millisecond activities. Deflected deuteron beam bursts have been used to reduce the long-time background to initial count ratios in the decay curves to achieve a better accuracy of measurements.

  20. Optimal Operation of EVs and HPs in the Nordic Power System

    DEFF Research Database (Denmark)

    Liu, Zhaoxi

    penetration level in the market environment. • The feasibility investigation of EVs and HPs to provide frequency reserves to the Nordic power system. To accomplish the researches mentioned above, the driving patterns of the vehicles in the Nordic region and the impacts of the EV and HP demand on the day...... that both EVs and HPs can provide considerable frequency reserves to the power system along the day in the Nordic region. Vehicle-to-Grid (V2G) technologies which enable the EVs to discharge the batteries in the reserve operations can further utilize the capacity of the EVs and consequently increase...

  1. The EV Project Price/Fee Models for Publicly Accessible Charging

    Energy Technology Data Exchange (ETDEWEB)

    Francfort, James Edward [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-12-01

    As plug-in electric vehicles (PEVs) are introduced to the market place and gain more consumer acceptance, it is important for a robust and self-sustaining non-residential infrastructure of electric vehicle supply equipment (EVSE) to be established to meet the needs of PEV drivers. While federal and state financial incentives for electric vehicles were in place and remain so today, future incentives are uncertain. In order for PEVs to achieve mainstream adoption, an adequate and sustainable commercial or publicly available charging infrastructure was pursued by The EV Project to encourage increased PEV purchases by alleviating range anxiety, and by removing adoption barriers for consumers without a dedicated overnight parking location to provide a home-base charger. This included determining a business model for publicly accessible charge infrastructure. To establish this business model, The EV Project team created a fee for charge model along with various ancillary offerings related to charging that would generate revenue. And after placing chargers in the field the Project rolled out this fee structure.

  2. Delivery of Human EV71 Receptors by Adeno-Associated Virus Increases EV71 Infection-Induced Local Inflammation in Adult Mice

    Directory of Open Access Journals (Sweden)

    Hung-Bo Hsiao

    2014-01-01

    Full Text Available Enterovirus71 (EV71 is now recognized as an emerging neurotropic virus in Asia and one major causative agent of hand-foot-mouth diseases (HFMD. However potential animal models for vaccine development are limited to young mice. In this study, we used an adeno-associated virus (AAV vector to introduce the human EV71 receptors P-selectin glycoprotein ligand-1 (hPSGL1 or a scavenger receptor class-B member-2 (hSCARB2 into adult ICR mice to change their susceptibility to EV71 infection. Mice were administered AAV-hSCARB2 or AAV-hPSGL1 through intravenous and oral routes. After three weeks, expression of human SCARB2 and PSGL1 was detected in various organs. After infection with EV71, we found that the EV71 viral load in AAV-hSCARB2- or AAV-hPSGL1-transduced mice was higher than that of the control mice in both the brain and intestines. The presence of EV71 viral particles in tissues was confirmed using immunohistochemistry analysis. Moreover, inflammatory cytokines were induced in the brain and intestines of AAV-hSCARB2- or AAV-hPSGL1-transduced mice after EV71 infection but not in wild-type mice. However, neurological disease was not observed in these animals. Taken together, we successfully infected adult mice with live EV71 and induced local inflammation using an AAV delivery system.

  3. A novel base-induced isomerization gives access to unprecedented (E)-exo-glycals.

    Science.gov (United States)

    Eppe, Guillaume; Dumitrescu, Lidia; Pierrot, Olivier; Li, Tianlei; Pan, Weidong; Vincent, Stéphane P

    2013-08-26

    Bump the base: This study reports the discovery of the base-induced Z-to-E isomerization of exo-glycals bearing an electron-withdrawing group (EWG). The scope of this novel transformation regarding the carbohydrate unit is also discussed. After elucidating the mechanism, preparation of novel (E)-exo- glycals was performed (TBS = tert-butyldimethylsilyl). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Sugar Profile, Mineral Content, and Rheological and Thermal Properties of an Isomerized Sweet Potato Starch Syrup

    OpenAIRE

    Dominque, Brunson; Gichuhi, Peter N.; Rangari, Vijay; Bovell-Benjamin, Adelia C.

    2013-01-01

    Currently, corn is used to produce more than 85% of the world's high fructose syrup (HFS). There is a search for alternative HFS substrates because of increased food demand and shrinking economies, especially in the developing world. The sweet potato is a feasible, alternative raw material. This study isomerized a high glucose sweet potato starch syrup (SPSS) and determined its sugar profile, mineral content, and rheological and thermal properties. Rheological and thermal properties were meas...

  5. Model-Based Analysis and Efficient Operation of a Glucose Isomerization Reactor Plant

    DEFF Research Database (Denmark)

    Papadakis, Emmanouil; Madsen, Ulrich; Pedersen, Sven

    2015-01-01

    efficiency. The objective of this study is the application of the developed framework on an industrial case study of a glucose isomerization (GI) reactor plant that is part of a corn refinery, with the objective to improve the productivity of the process. Therefore, a multi-scale reactor model...... is developedfor use as a building block for the GI reactor plant simulation. An optimal operation strategy is proposed on the basis of the simulation results...

  6. Isomeric cross section ratios in 55Mn(α, n)58m,gCo reaction

    International Nuclear Information System (INIS)

    Long Xianguan; He Fuqing; Peng Xiufen; Liu Mantian

    1989-01-01

    The isomeric cross section ratios in 55 Mn(α, n) 58m,g Co reaction are measured for incident alpha-particle energies ranging from 10.4 to 26.5 MeV by using activation method and stacked-foil technique. The measured values are compared with theoretical calculations performed by using Huizenga and Vandenbosch method and the values of spin cutoff factor are obtained for product nucleus 58 Co

  7. [Photoionization ion mobility spectrometry (UV-IMS) for the isomeric volatile organic compounds].

    Science.gov (United States)

    Li, Hu; Niu, Wen-qi; Wang, Hong-mei; Huang, Chao-qun; Jiang, Hai-he; Chu, Yan-nan

    2012-01-01

    The construction and performance study is reported for a newly developed ultraviolet photoionization ion mobility spectrometry (UV-IMS). In the present paper, an UV-IMS technique was firstly developed to detect eleven isomeric volatile organic compounds including the differences in the structure of carbon chain, the style of function group and the position of function group. Their reduced mobility values were determined and increased in this order: linears alcohols homemade UV-IMS was around ppb-ppm.

  8. Direct Measurement of the Isomerization Barrier of the Isolated Retinal Chromophore

    Science.gov (United States)

    2015-11-03

    al. Angew. Chem. Int. Ed. 2008, 47, 1668 –1671 Dehydrated gas-phase structures Barlow Correlation Experiment – Barrier energy in protein is ~1-1.2...eV, and inversely correlated with the absorption wavelength Theory – ~1-2eV Barlow R.B.; Birge R.R.; Kaplan E.; Tallent J.R. Nature 1993, 366, 64

  9. The influence of constitutional isomerism and change on molecular recognition processes.

    Science.gov (United States)

    Williams, Avril R; Northrop, Brian H; Houk, Kendall N; Stoddart, J Fraser; Williams, David J

    2004-10-25

    Three constitutionally isomeric bis(naphthylmethyl)ammonium ions, in which the two naphthyl groups are substituted 1) both at their 1-positions, 2) one at its 1-position and the other at its 2-position, and 3) both at their 2-positions, have been investigated separately in solution for their propensities to undergo spontaneous self-assembly with three different [24]crown-8 derivatives, namely, pyrido[24]crown-8 (P24C8), dipyrido[24]crown-8 (DP24C8) and dibenzo[24]crown-8 (DB24C8), in turn to form [2]pseudorotaxanes. The strengths of the 1:1 complexes depend on the composition of the secondary dialkylammonium ions and on the nature of the crown ether hosts; generally, as far as the guest cation is concerned, the 1/1- and 2/2-isomers form stronger complexes, as indicated by stability constant measurements, than the 1/2-isomer and, as far as the crown ethers are concerned, the more flexible P24C8 is a much more efficient host than either DP24C8 or DB24C8. The rates of formation of the [2]pseudorotaxanes are fast (i.e., taking no more than a few minutes) in solution with the exception of one case, that is, in which the crown ether host is DB24C8 and the guest cation is the 1/1-isomer, when it can take upwards of one month for the complexation-decomplexation equilibrium to be established at room temperature. In all cases, the equilibrium between complexed and uncomplexed species is slow on the NMR timescale, allowing the determination of stability constants to be made readily using the single-point method. X-ray crystallography and molecular modeling have been used to gain insight into ground and transition state interactions, respectively, in some of the [2]pseudorotaxanes. The relative stabilities of the three [2]pseudorotaxanes formed by each guest cation in the presence of the three crown ether hosts were also evaluated in solution by competition experiments that were monitored by (1)H NMR spectroscopy. By and large the results of the competition experiments could

  10. Photo-isomerization and oxidation of bilirubin in mammals is dependent on albumin binding.

    Science.gov (United States)

    Goncharova, Iryna; Jašprová, Jana; Vítek, Libor; Urbanová, Marie

    2015-12-01

    The bilirubin (BR) photo-conversion in the human body is a protein-dependent process; an effective photo-isomerization of the potentially neurotoxic Z,Z-BR as well as its oxidation to biliverdin in the antioxidant redox cycle is possible only when BR is bound on serum albumin. We present a novel analytical concept in the study of linear tetrapyrroles metabolic processes based on an in-depth mapping of binding sites in the structure of human serum albumin (HSA). A combination of fluorescence spectroscopy, circular dichroism (CD) spectroscopy, and molecular modeling methods was used for recognition of the binding site for BR, its derivatives (mesobilirubin and bilirubin ditaurate), and the products of the photo-isomerization and oxidation (lumirubin, biliverdin, and xanthobilirubic acid) on HSA. The CD spectra and fluorescent quenching of the Trp-HSA were used to calculate the binding constants. The results of the CD displacement experiments performed with hemin were interpreted together with the findings of molecular docking performed on the pigment-HSA complexes. We estimated that Z,Z-BR and its metabolic products bind on two independent binding sites. Our findings support the existence of a reversible antioxidant redox cycle for BR and explain an additional pathway of the photo-isomerization process (increase of HSA binding capacity; the excess free [unbound] BR can be converted and also bound to HSA). Copyright © 2015 Elsevier Inc. All rights reserved.

  11. Spectroscopic and Theoretical Identification of Two Thermal Isomerization Pathways for Bistable Chiral Overcrowded Alkenes.

    Science.gov (United States)

    Kistemaker, Jos C M; Pizzolato, Stefano F; van Leeuwen, Thomas; Pijper, Thomas C; Feringa, Ben L

    2016-09-12

    Chiroptical molecular switches play an important role in responsive materials and dynamic molecular systems. Here we present the synthesis of four chiral overcrowded alkenes and the experimental and computational study of their photochemical and thermal behavior. By irradiation with UV light, metastable diastereoisomers with opposite helicity were generated through high yielding E-Z isomerizations. Kinetic studies on metastable 1-4 using CD spectroscopy and HPLC analysis revealed two pathways at higher temperatures for the thermal isomerization, namely a thermal E-Z isomerization (TEZI) and a thermal helix inversion (THI). These processes were also studied computationally whereby a new strategy was developed for calculating the TEZI barrier for second-generation overcrowded alkenes. To demonstrate that these overcrowded alkenes can be employed as bistable switches, photochromic cycling was performed, which showed that the alkenes display good selectivity and fatigue resistance over multiple irradiation cycles. In particular, switch 3 displayed the best performance in forward and backward photoswitching, while 1 excelled in thermal stability of the photogenerated metastable form. Overall, the alkenes studied showed a remarkable and unprecedented combination of switching properties including dynamic helicity, reversibility, selectivity, fatigue resistance, and thermal stability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Preclinical Evaluation of the Synthetic Adjuvant SQS-21 and its Constituent Isomeric Saponins

    Science.gov (United States)

    Ragupathi, Govind; Damani, Payal; Deng, Kai; Adams, Michelle M.; Hang, Jianfeng; George, Constantine; Livingston, Philip O.; Gin, David Y.

    2010-01-01

    The saponin fraction QS-21 from Quillaja saponaria has been demonstrated to be a potent immunological adjuvant when mixed with keyhole limpet hemocyanin conjugate vaccines, as well as with other classes of subunit antigen vaccines. QS-21 adjuvant is composed of two isomers that include the apiose and xylose forms in a ratio of 65:35, respectively. The chemical syntheses of these two isomers in pure form have recently been disclosed. Herein we describe detailed in vivo immunological evaluations of these synthetic QS-21 isomeric constituents, employing the GD3-KLH melanoma antigen. With this vaccine construct, high antibody titers against GD3 ganglioside and KLH were elicited when GD3-KLH was co-administered with adjuvant, either as the individual separate synthetic QS-21 isomers (SQS-21-Api or SQS-21-Xyl), or as its reconstituted 65:35 isomeric mixture (SQS-21). These antibody titer levels were comparable to that elicited by vaccinations employing naturally derived QS-21 (PQS-21). Moreover, toxicities of the synthetic saponin adjuvants were also found to be comparable to that of naturally derived PQS-21. These findings demonstrate unequivocally that the adjuvant activity of QS-21 resides in these two principal isomeric forms, and not in trace contaminants within the natural extracts. This lays the foundation for future exploration of structure-function correlations to enable the discovery of novel saponins with increased potency, enhanced stability, and attenuated toxicity. PMID:20450868

  13. Analyzing public awareness and acceptance of alternative fuel vehicles in China: The case of EV

    International Nuclear Information System (INIS)

    Zhang Yong; Yu Yifeng; Zou Bai

    2011-01-01

    The aim of this paper is to analyze consumers' awareness towards electric vehicle (EV) and examine the factors that are most likely to affect consumers' choice for EV in China. A comprehensive questionnaire survey has been conducted with 299 respondents from various driving schools in Nanjing. Three binary logistic regression models were used to determine the factors that contribute to consumers' acceptance of EVs, their purchase time and their purchase price. The results suggest that: (1)Whether a consumer chooses an EV is significantly influenced by the number of driver's licenses, number of vehicles, government policies and fuel price. (2)The timing of consumers' purchases of an EV is influenced by academic degree, annual income, number of vehicles, government policies, the opinion of peers and tax incentives. (3)The acceptance of purchase price of EVs is influenced by age, academic degree, number of family members, number of vehicles, the opinion of peers, maintenance cost and degree of safety. These findings will help understand consumer's purchase behavior of EVs and have important policy implications related to the promotions of EVs in China. - Highlights: → We survey 299 respondents from various driving schools in Nanjing. → We analyze consumer's awareness towards electric vehicle (EV). → The factors affecting consumers' choice for EV are examined by three binary logistic models. → Factors contributing to consumers' acceptance of EVs, purchase time and purchase price are indicated.

  14. Comparative Analysis of Technologies for Quantifying Extracellular Vesicles (EVs in Clinical Cerebrospinal Fluids (CSF.

    Directory of Open Access Journals (Sweden)

    Johnny C Akers

    Full Text Available Extracellular vesicles (EVs have emerged as a promising biomarker platform for glioblastoma patients. However, the optimal method for quantitative assessment of EVs in clinical bio-fluid remains a point of contention. Multiple high-resolution platforms for quantitative EV analysis have emerged, including methods grounded in diffraction measurement of Brownian motion (NTA, tunable resistive pulse sensing (TRPS, vesicle flow cytometry (VFC, and transmission electron microscopy (TEM. Here we compared quantitative EV assessment using cerebrospinal fluids derived from glioblastoma patients using these methods. For EVs 150 nm in diameter, NTA consistently detected lower number of EVs relative to TRPS. These results unveil the strength and pitfalls of each quantitative method alone for assessing EVs derived from clinical cerebrospinal fluids and suggest that thoughtful synthesis of multi-platform quantitation will be required to guide meaningful clinical investigations.

  15. Ultrafast Excited State Dynamics in Molecular Motors : Coupling of Motor Length to Medium Viscosity

    NARCIS (Netherlands)

    Conyard, Jamie; Stacko, Peter; Chen, Jiawen; McDonagh, Sophie; Hall, Christopher R.; Laptenok, Sergey P.; Browne, Wesley R.; Feringa, Ben L.; Meech, Stephen R.

    2017-01-01

    Photochemically driven molecular motors convert the energy of incident radiation to intramolecular rotational motion. The motor molecules considered here execute four step unidirectional rotational motion. This comprises a pair of successive light induced isomerizations to a metastable state

  16. Phenotypic and genotypic characteristics of novel mouse cell line (NIH/3T3-adapted human enterovirus 71 strains (EV71:TLLm and EV71:TLLmv.

    Directory of Open Access Journals (Sweden)

    Carla Bianca Luena Victorio

    Full Text Available Since its identification in 1969, Enterovirus 71 (EV71 has been causing periodic outbreaks of infection in children worldwide and most prominently in the Asia-Pacific Region. Understanding the pathogenesis of Enterovirus 71 (EV71 is hampered by the virus's inability to infect small animals and replicate in their derived in vitro cultured cells. This manuscript describes the phenotypic and genotypic characteristics of two selected EV71 strains (EV71:TLLm and EV71:TLLmv, which have been adapted to replicate in mouse-derived NIH/3T3 cells, in contrast to the original parental virus which is only able to replicate in primate cell lines. The EV71:TLLm strain exhibited productive infection in all primate and rodent cell lines tested, while EV71:TLLmv exhibited greater preference for mouse cell lines. EV71:TLLmv displayed higher degree of adaptation and temperature adaptability in NIH/3T3 cells than in Vero cells, suggesting much higher fitness in NIH/3T3 cells. In comparison with the parental EV71:BS strain, the adapted strains accumulated multiple adaptive mutations in the genome resulting in amino acid substitutions, most notably in the capsid-encoding region (P1 and viral RNA-dependent RNA polymerase (3D. Two mutations, E167D and L169F, were mapped to the VP1 canyon that binds the SCARB2 receptor on host cells. Another two mutations, S135T and K140I, were located in the VP2 neutralization epitope spanning amino acids 136-150. This is the first report of human EV71 with the ability to productively infect rodent cell lines in vitro.

  17. Peptide models of protein metastable binding sites: competitive kinetics of isomerization and hydrolysis.

    Science.gov (United States)

    Khan, S A; Sekulski, J M; Erickson, B W

    1986-09-09

    alpha 2-Macroglobulin and the complement components C3 and C4 each contain a metastable binding site that is essential for covalent attachment. Two cyclic peptides are useful models of these unusual protein sites. Five-membered lactam 1 (CH3CO-Gly-Cys-Gly-Glu-Glp-Asn-NH2) contains an internal residue of pyroglutamic acid (Glp). Fifteen-membered thiolactone 2 (CH3CO-Gly-Cys-Gly-Glu-Glu-Asn-NH2 15-thiolactone) contains a thiol ester bond between Cys-2 and Glu-5. These isomeric hexapeptides are spontaneously interconverted in water. Competing with the two isomerization reactions are three reactions involving hydrolysis of 1 and 2. These five processes were found to occur simultaneously under physiologic conditions (phosphate-buffered saline, pH 7.3, 37 degrees C). Best estimates of the five rate constants for these apparent first-order reactions were obtained by comparing the observed molar percentages of peptides 1-4 with those calculated from a set of exponential equations. Both isomerization reactions (ring expansion of 1 to 2, k1 = 6.4 X 10(-5) s-1; ring contraction of 2 to 1, k-1 = 69 X 10(-5) s-1) proceeded faster than any of the hydrolysis reactions: alpha-cleavage of 1 with fragmentation to form dipeptide 3 (k2 = 3.3 X 10(-5) s-1), gamma-cleavage of 1 with ring opening to yield mercapto acid 4 (k3 = 0.35 X 10(-5) s-1), and hydrolysis of 2 with ring opening to give 4 (k4 = 1.9 X 10(-5) s-1). The isomerization rate ratio (k1/k-1 = 10.9) agreed with the isomer ratio at equilibrium (1:2 = 11 starting from 1 and 10 starting from 2). The alpha/gamma regioselectivity ratio (k2/k3 = 9.7) for hydrolysis of the internal Glp residue of 1 was consistent with results for model tripeptides. Part of the chemistry of the protein metastable binding sites can be explained by similar isomerization and hydrolysis reactions.

  18. Study of the 44S structure through its isomeric decay

    International Nuclear Information System (INIS)

    Force, C.

    2009-10-01

    The study of atomic nucleus aims at improving our knowledge about the nuclear interaction that is responsible for the cohesion in the nucleus. At first, stable nuclei (Z ∼ N) were studied and an expression of the nuclear interaction was derived. At this era, one of the goals was to reproduce unusual properties of the 'magic' nuclei. With the development of accelerators, neutron-rich or deficient nuclei were produced giving the opportunity to study the evolution of nuclear interaction as a function of isospin value. Since the nineties, studies about exotic nuclei with N=28 neutrons have shown that the 'magic' behavior of N=28 vanish far from stability. In particular, 44 S (Z=16, N=28) is found to be deformed in its ground state. Theoretically, shell model calculations predict a spherical-deformed shape coexistence whereas a deformed-deformed shape coexistence is predicted from mean field theories. In 2005, a second 0 + state was discovered at low excitation energy confirming the shape coexistence without giving answers about the type of deformations. The goal of the experiment presented here was to characterize this shape coexistence by measuring the reduced transition probability B(E2; 0 2 + → 2 1 + ) and the monopolar transition strength ρ 2 (E0; 0 2 + → 0 1 + ). An interpretation about 0 + states mixing is suggested from the measured low B(E2; 0 2 + → 2 1 + ) value as well as a comparison with shell model calculations. A low ρ 2 value was also measured and compared to systematics. Interpretations in both shell model and geometrical collective model are suggested. (author)

  19. Isolation and Characterization of Serum Extracellular Vesicles (EVs from Atlantic Salmon Infected with Piscirickettsia Salmonis

    Directory of Open Access Journals (Sweden)

    Leidy Lagos

    2017-12-01

    Full Text Available Secretion of extracellular vesicles (EVs is a common feature of both eukaryotic and prokaryotic cells. Isolated EVs have been shown to contain different types of molecules, including proteins and nucleic acids, and are reported to be key players in intercellular communication. Little is known, however, of EV secretion in fish, or the effect of infection on EV release and content. In the present study, EVs were isolated from the serum of healthy and Piscirickettsia salmonis infected Atlantic salmon in order to evaluate the effect of infection on EV secretion. P. salmonis is facultative intracellular bacterium that causes a systemic infection disease in farmed salmonids. EVs isolated from both infected and non-infected fish had an average diameter of 230–300 nm, as confirmed by transmission electron microscopy, nanoparticle tracking, and flow cytometry. Mass spectrometry identified 180 proteins in serum EVs from both groups of fish. Interestingly, 35 unique proteins were identified in serum EVs isolated from the fish infected with P. salmonis. These unique proteins included proteasomes subunits, granulins, and major histocompatibility class I and II. Our results suggest that EV release could be part of a mechanism in which host stimulatory molecules are released from infected cells to promote an immune response.

  20. Analysis method and utilization mechanism of the overall value of EV charging

    International Nuclear Information System (INIS)

    Guo, Chunlin; Chan, Ching Chuen

    2015-01-01

    Highlights: • Analysis on the overall value of EV charging from a viewpoint of system. • An analytical model of the overall value of EV charging was presented. • A model was proposed to calculate the value of emission reduction by EV. • A model to evaluate the improvement in new energy utilization was given. • A utilization mechanism apt to overall optimization was proposed. - Abstract: Electric Vehicle (EV) can save energy while reducing emissions and has thus attracted the attention of both academics and industry. The cost and benefit of charging are one of the key issues in relation to EV development that has been researched extensively. But many studies are carried out from a viewpoint of some local entities rather than a global system, focus on specific types or aspects of EV charging, or use mixed models that can only be computed by computer simulation and lack physical transparency. This paper illuminated that it is necessary to consider the value of EV charging on a system scale. In order to achieve this, it presents an analytical model for analyzing the overall value of EVs, an analysis model to evaluate the reduction of pollutions relevant to photovoltaic power, and a model to transfer the intrinsic savings of wind power to the off-peak charging loads. It is estimated that EV charging has a significant positive value, providing the basis for enhanced EV subsidies. Accordingly, a utilization mechanism apt to optimize globally is proposed, upon which sustainable business models can be formed by providing adequate support, including the implementation of a peak–valley tariff, charging subsidies and one-time battery subsidies. This utilization mechanism, by taking full advantage of the operation system of power utilities to provide basic support and service, may provide new approaches to the development of EVs. The method proposed here is of important value for the systematic considerations about EV development and maybe can help broaden the

  1. Damage of DNA by Low Energy Electrons (< 3 eV)

    International Nuclear Information System (INIS)

    Bald, Ilko; Illenberger, Eugen; Kopyra, Janina

    2012-01-01

    Recent experiments on low energy electron attachment to DNA and its components in the condensed phase and in the gas phase are reviewed and analysed. From different condensed phase experiments the sensitivity of DNA towards low energy electrons is well documented and strand breaks in DNA are observed at subexcitation energies (< 3 eV) and also in ultrafast electron transfer experiments involving electrons in presolvated states. Gas phase experiments indicate that all building blocks of DNA (the nucleobases, the sugar and the phosphate moiety) undergo resonant dissociative electron attachment (DEA) in the subexcitation regime which may ultimately lead to strand breaks. From very recent gas phase experiments on an entire nucleotide it can be concluded that most strand breaks result from direct electron attachment to the DNA backbone, but also initial electron capture by the nucleobase following electron transfer to the backbone contributes.

  2. Gamma radiation and temperature influence on the chemical effect produced by isomeric transition in the telluric acid

    International Nuclear Information System (INIS)

    Muriel G, M.

    1976-01-01

    When the gamma radiation due to the isomeric transition is internally converted an autoionization is produced. For atoms with a high atomic number this autoionization can be a large one and produce a fragmentation in a molecule. In the specific case of the solid state these fragments remain trapped in different places of the crystalline system. This can be considered as chemical change in the original molecule. These damages produced by the nuclear transformation can be measured by different methods: heating, gamma rays, pressure, etc. In this work the results of an experimental measurement of the behavior of the crystalline telluric acid molecule fragments under gamma radiation (0 to 20 Mrads) with controlled temperature of 2 0 C (-196 0 C to 50 0 C) it is presented. It was observed that the values of the mentioned behavior vary rapidly at first for relatively low doses and that for larger doses these values remained constant. Besides with a lower temperature these variation are progressively lower. (author)

  3. Excitons and continuum transitions of rubidium halides in the 10 - 26 eV photon energy range at low temperatures

    International Nuclear Information System (INIS)

    Zierau, W.; Skibowski, M.

    1975-04-01

    The reflection spectra of RbCl, RbBr and RbI single crystals were investigated for temperatures between 300 K and 8 K in order to study excitations from the Rb + 4p level (> approximately 16 eV) as well as the higher continuum transitions from the valence band (> approximately 10 eV). The measurements were performed by use of the synchrotron radiation of DESY. The sensitivity for detecting details of the fine structure was increased by simultaneously measuring the wavelength modulated spectra. The experimental procedure is briefly described. New spectral features have been resolved for the exciton multiplets from the Rb + 4p level. They are discussed in light of the predictions of a recent model for the Rb + 4p excitons based on ligand field theory. The continuum transitions associated with the valence band and the Rb + 4p level show characteristic structure which is compared with calculations of the joint density of states. (orig.) [de

  4. EV City Casebook: A Look At The Global Electric Vehicle Movement

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    Electric vehicles (EVs) hold the potential of transforming the way the world moves. EVs can increase energy security by diversifying the fuel mix and decreasing dependence on petroleum, while also reducing emissions of greenhouse gases and other pollutants. Just as important, EVs can unlock innovation and create new advanced industries that spur job growth and enhance economic prosperity. However, the mass deployment of EVs will require transportation systems capable of integrating and fostering this new technology. To accelerate this transition, cities and metropolitan regions around the world are creating EV-friendly ecosystems and building the foundation for widespread adoption. In recognition of the importance of urban areas in the introduction and scale-up of electric vehicles, the EV City Casebook presents informative case studies on city and regional EV deployment efforts around the world. These case studies are illustrative examples of how pioneering cities are preparing the ground for mass market EV deployment. They offer both qualitative and quantitative information on cities' EV goals, progress, policies, incentives, and lessons learned to date. The purpose of the EV City Casebook is to share experiences on EV demonstration and deployment, identify challenges and opportunities, and highlight best practices for creating thriving EV ecosystems. These studies seek to enhance understanding of the most effective policy measures to foster the uptake of electric vehicles in urban areas. The cities represented here are actively engaging in a variety of initiatives that share the goal of accelerating EV adoption. This publication is the result of an effort to coordinate those initiatives and provide a global perspective on the electric vehicle movement. This international knowledge-sharing network consists of the Electric Vehicles Initiative (EVI), a multi-government initiative of the Clean Energy Ministerial; Project Get Ready, a Rocky Mountain Institute (RMI

  5. EV City Casebook: A Look At The Global Electric Vehicle Movement

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    Electric vehicles (EVs) hold the potential of transforming the way the world moves. EVs can increase energy security by diversifying the fuel mix and decreasing dependence on petroleum, while also reducing emissions of greenhouse gases and other pollutants. Just as important, EVs can unlock innovation and create new advanced industries that spur job growth and enhance economic prosperity. However, the mass deployment of EVs will require transportation systems capable of integrating and fostering this new technology. To accelerate this transition, cities and metropolitan regions around the world are creating EV-friendly ecosystems and building the foundation for widespread adoption. In recognition of the importance of urban areas in the introduction and scale-up of electric vehicles, the EV City Casebook presents informative case studies on city and regional EV deployment efforts around the world. These case studies are illustrative examples of how pioneering cities are preparing the ground for mass market EV deployment. They offer both qualitative and quantitative information on cities' EV goals, progress, policies, incentives, and lessons learned to date. The purpose of the EV City Casebook is to share experiences on EV demonstration and deployment, identify challenges and opportunities, and highlight best practices for creating thriving EV ecosystems. These studies seek to enhance understanding of the most effective policy measures to foster the uptake of electric vehicles in urban areas. The cities represented here are actively engaging in a variety of initiatives that share the goal of accelerating EV adoption. This publication is the result of an effort to coordinate those initiatives and provide a global perspective on the electric vehicle movement. This international knowledge-sharing network consists of the Electric Vehicles Initiative (EVI), a multi-government initiative of the Clean Energy Ministerial; Project Get Ready, a Rocky Mountain Institute

  6. On a possible origin of the 2.87 eV optical transition in GaNP

    International Nuclear Information System (INIS)

    Buyanova, I A; Izadifard, M; Chen, W M; Xin, H P; Tu, C W

    2006-01-01

    Temperature dependent photoluminescence excitation spectroscopy is employed to evaluate basic physical properties of the 2.87 eV absorption peak, recently discovered for the GaN x P 1-x alloys. Whereas the appearance of this transition is found to be facilitated by incorporation of N and also H atoms, its intensity does not scale with the N content in the alloys. This questions the possible association of this feature with an N-related localized state. On the basis of the results of temperature dependent measurements, it is concluded that the state involved has a non-Γ character. Excitation of the known N-related localized states via this state is found to be non-selective, unlike that between the N-related centres. The observed properties are shown to be barely consistent with those predicted for the higher lying localized state of the isolated N atom derived from the Γ conduction band minimum (CBM). Alternative explanations for the '2.87 eV' state as being due to either a t 2 component of the X 3 c (or L 1 c ) CBM or a level arising from a complex of N and H (in some form) are also discussed

  7. A Game Theoretic Approach for EV Recharge Pricing Under Competition: Analysis and Simulation

    OpenAIRE

    Amigo , Isabel; Gagnaire , Maurice

    2015-01-01

    Electric Vehicles (EV) are a key element of future smart cities, providing a clean transportation technology and potential benefits for the grid. Nevertheless, limited vehicle autonomy and lack of charging stations are preventing EVs to be broadly accepted. To address this challenge, French GreenFeed project is working to develop an interoperable and universal architecture to allow EV recharge across multiple cities and countries. In this work, we consider such architecture and focus on price...

  8. Fachagentur Nachwachsende Rohstoffe e.V. Annual report 2010/2011; Fachagentur Nachwachsende Rohstoffe e.V. (FNR). Jahresbericht 2010/2011

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-07-01

    The annual report of the Fachagentur Nachwachsende Rohstoffe e.V. (Guelzow-Pruezen, Federal Republic of Germany) outlines the cultivation of industrial crops and energy plants. The organisational structure of the association and its research projects are presented.

  9. Fachagentur Nachwachsende Rohstoffe e.V. Annual report 2009/2010; Fachagentur Nachwachsende Rohstoffe e.V. (FNR). Jahresbericht 2009/2010

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2010-07-01

    The annual report of the Fachagentur Nachwachsende Rohstoffe e.V. (Guelzow-Pruezen, Federal Republic of Germany) outlines the cultivation of industrial crops and energy plants. The organisational structure of the association and its research projects are presented.

  10. The cosmic ray spectrum and composition measured by KASCADE-Grande between 10{sup 16} eV and 10{sup 18} eV

    Energy Technology Data Exchange (ETDEWEB)

    Bertaina, M., E-mail: bertaina@to.infn.it [Department of Physics, University of Torino and INFN, Torino (Italy); Apel, W.D. [Institut für Kernphysik, KIT – Karlsruher Institut für Technologie (Germany); Arteaga-Velázquez, J.C. [Institute of Physics and Mathematics, Universidad Michoacana de San Nicolas de Hidalgo, Morelia (Mexico); Bekk, K. [Institut für Kernphysik, KIT – Karlsruher Institut für Technologie (Germany); Blümer, J. [Institut für Kernphysik, KIT – Karlsruher Institut für Technologie (Germany); Institut für Experimentelle Kernphysik, KIT – Karlsruher Institut für Technologie (Germany); Bozdog, H. [Institut für Kernphysik, KIT – Karlsruher Institut für Technologie (Germany); Brancus, I.M. [Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest (Romania); Cantoni, E. [Department of Physics, University of Torino and INFN, Torino (Italy); Osservatorio Astrofisico di Torino, INAF Torino (Italy); Chiavassa, A. [Department of Physics, University of Torino and INFN, Torino (Italy); Cossavella, F. [Institut für Experimentelle Kernphysik, KIT – Karlsruher Institut für Technologie (Germany); Daumiller, K. [Institut für Kernphysik, KIT – Karlsruher Institut für Technologie (Germany); Souza, V. de [Universidade São Paulo, Instituto de Física de São Carlos (Brazil); and others

    2014-11-15

    The shape and composition of the primary spectrum of cosmic rays are key elements to understand the origin, acceleration and propagation of the Galactic cosmic rays. Besides the well known knee and ankle features, the recent results of KASCADE-Grande indicate that the measured energy spectrum exhibits also a less pronounced but still clear deviation from a single power law between the knee and the ankle, with a spectral hardening at 2 × 10{sup 16} eV and a steepening at 10{sup 17} eV. The average mass composition gets heavier after the knee till 10{sup 17} eV where a bending of the heavy component is observed. An indication of a hardening of the light component just above 10{sup 17} eV has been measured as well. In this paper the major results obtained so far by the KASCADE-Grande experiment are reviewed.

  11. Large Scale Deployment of Electric Vehicles (EVs) and Heat Pumps (HPs) in the Nordic Region

    DEFF Research Database (Denmark)

    Liu, Zhaoxi; Wu, Qiuwei; Petersen, Pauli Fríðheim

    This report describes the study results of large scale deployment of electric vehicles (EVs) and heat pumps (HPs) in the Nordic countries of Denmark, Norway, Sweden and Finland, focusing on the demand profiles with high peneration of EVs and HPs in 2050......This report describes the study results of large scale deployment of electric vehicles (EVs) and heat pumps (HPs) in the Nordic countries of Denmark, Norway, Sweden and Finland, focusing on the demand profiles with high peneration of EVs and HPs in 2050...

  12. Photoabsorption coefficient of alloys at Al with transition metals V, Fe, Ni and with Cu and Pr from 30 eV to 150 eV photon energy

    International Nuclear Information System (INIS)

    Hagemann, H.J.; Gudat, W.; Kunz, C.

    1975-10-01

    The absorption coeffecient of VAl 3 , FeAl, NiAl, NiAl 3 , CuAl 2 , PrAl 2 and of disordered V-Al (16 at. % Al, 28 %, 41%) and Fe-Al (11%) alloys has been measured in the region of the Msub(2,3)-absorption of the transition metals and the L-absorption of Al. The strong changes of the Al spectrum in the region of the 100 eV maximum upon alloying are explained as another evidence of the EXAFS (extended X-ray absorption fine structure) nature of these structures. The broad, prominent absorption peaks from the 3p excitations in V and Fe and from the 4d excitations in Pr are influenced only little on alloying and thus appear to be of atomic origin. The fine structure at the onset of the Pr 4d-transitions is identical in the metal and the alloy but differs from that of Pr oxide. The only Msub(2,3)-edge which is detectably shifted is that if Ni (up to 2.1 eV), whereas the onset of the Al Lsub(2,3)-edge is shifted in all the alloys (up to 1.1 eV). The shifts are interpreted in accordance with X-ray fluorescence and nuclear resonance measurements as changes of the density of states in the valence band of the alloys. (orig.) [de

  13. Positionally isomeric organic gelators: structure-gelation study, racemic versus enantiomeric gelators, and solvation effects.

    Science.gov (United States)

    Caplar, Vesna; Frkanec, Leo; Sijaković Vujicić, Natasa; Zinić, Mladen

    2010-03-08

    Low molecular weight gelator molecules consisting of aliphatic acid, amino acid (phenylglycine), and omega-aminoaliphatic acid units have been designed. By varying the number of methylene units in the aliphatic and omega-aminoaliphatic acid chains, as defined by descriptors m and n, respectively, a series of positionally isomeric gelators having different positions of the peptidic hydrogen-bonding unit within the gelator molecule has been obtained. The gelation properties of the positional isomers have been determined in relation to a defined set of twenty solvents of different structure and polarity and analyzed in terms of gelator versatility (G(ver)) and effectiveness (G(eff)). The results of gelation tests have shown that simple synthetic optimizations of a "lead gelator molecule" by variation of m and n, end-group polarity (carboxylic acid versus sodium carboxylate), and stereochemistry (racemate versus optically pure form) allowed the identification of gelators with tremendously improved versatility (G(ver)) and effectiveness (G(eff)). Dramatic differences in G(eff) values of up to 70 times could be observed between pure racemate/enantiomer pairs of some gelators, which were manifested even in the gelation of very similar solvents such as isomeric xylenes. The combined results of spectroscopic ((1)H NMR, FTIR), electron microscopy (TEM), and X-ray diffraction studies suggest similar organization of the positionally isomeric gelators at the molecular level, comprising parallel beta-sheet hydrogen-bonded primary assemblies that form inversed bilayers at a higher organizational level. Differential scanning calorimetry (DSC) studies of selected enantiomer/racemate gelator pairs and their o- and p-xylene gels revealed the simultaneous presence of different polymorphs in the racemate gels. The increased gelation effectiveness of the racemate compared to that of the single enantiomer is most likely a consequence of its spontaneous resolution into enantiomeric

  14. Outcomes following the Kawashima procedure for single-ventricle palliation in left atrial isomerism.

    Science.gov (United States)

    Vollebregt, Anne; Pushparajah, Kuberan; Rizvi, Maleeha; Hoschtitzky, Andreas; Anderson, David; Austin, Conal; Tibby, Shane M; Simpson, John

    2012-03-01

    Patients with left atrial isomerism and interrupted inferior vena cava palliated with a superior cavopulmonary connection or Kawashima procedure (KP) have a high incidence of developing pulmonary arteriovenous malformations. The necessity for hepatic vein redirection (HVR) and its timing remains a controversy. We aimed to assess the clinical outcome of patients with left atrial isomerism following a KP. The main end points were death, requirement for HVR and the impact of HVR on oxygen saturation. Retrospective review of 21 patients with a diagnosis of left atrial isomerism, interruption of the inferior vena cava and single-ventricle physiology managed with a KP at a single centre between January 1990 and March 2010. Twenty-one patients had a KP, with 12 subsequently undergoing HVR. There was relatively a constant monthly decrement in the proportion of patients who were free from death or HVR up until 60 months following the KP, with a dramatic increase in the hazard after this time. The Cox proportional hazards regression model demonstrated a reduced early risk for HVR or death in patients who underwent pulmonary artery banding versus arterial shunt as the primary procedure (hazard ratio: 0.10; P = 0.01), and an increased risk with bilateral superior vena cavas (SVCs) (hazard ratio: 3.4; P = 0.04) and age at KP (hazard ratio: 1.02 per month increase in age at KP; P = 0.02). HVR mortality was relatively high with 3 of 12 patients dying in the early postoperative period with profound cyanosis. The timing of HVR after the KP did not influence the postoperative rate of increase in oxygen saturation. These findings confirm that the majority of patients who undergo a KP will require HVR. Patients who are older at the time of the KP or having an initial arterial shunt or bilateral SVCs are at higher risk of HVR or death. The relatively high mortality at HVR was characterized by severe postoperative cyanosis.

  15. Low-lying isomeric states in Ga-80 from the beta(-) decay of Zn-80

    Czech Academy of Sciences Publication Activity Database

    Lica, R.; Marginean, N.; Ghita, D. G.; Mach, H.; Simpson, G. S.; Aprahamian, A.; Bernards, C.; Briz, J. A.; Bucher, B.; Chiara, C. J.; Dlouhý, Zdeněk; Gheorghe, I.; Hoff, P.; Jolie, J.; Koster, U.; Kurcewicz, W.; Marginean, R.; Olaizola, B.; Paziy, V.; Regis, J. M.; Rudigier, M.; Sava, T.; Stanoiu, M.; Stroe, L.; Walters, W. B.

    2014-01-01

    Roč. 90, č. 1 (2014), 014320 ISSN 0556-2813 Institutional support: RVO:61389005 Keywords : picosecond lifetime measurements * neutron-rich nuclei * Zn Subject RIV: BG - Nuclear, Atomic and Molecular Physics , Colliders Impact factor: 3.733, year: 2014

  16. Production and identification of an isomeric state in 217Pa and the new isotope 218Pa

    International Nuclear Information System (INIS)

    Schmidt, K.H.; Faust, W.; Muenzenberg, G.; Ewald, H.; Guettner, K.; Clerc, H.G.; Lang, W.; Wohlfarth, H.; Pielenz, K.

    1977-02-01

    Evaporation residues produced in the reaction 40Ar(176 MeV) + 181Ta were separated from the primary beam by the velocity filter SHIP and detected by a ΔE-E counter telescope. The technique of delayed coincidences was applied to individually identify the reaction products implanted into a Si-surface barrier detector by their subsequent alpha decays. The previously unknown nucleus 218Pa was identified by its known daughter decays. 218Pa was found to decay with Esub(α) = (9.614 +- 0.015) MeV, T(1/2) = (140 +- 50) μs and probably also with Esub(α) = (9.535 +- 0.020) MeV, T(1/2) = (150 + 100 - 50) μs. The half-life of the 8.33 MeV alpha decay of 217Pa was determined to be (o.2 +- 0.4) ms. Anew isomer in 217 Pa was found which decays with Esub(α) = (10.16 +- 0.02) MeV and T(1/2) = (1.8 +- 0.5) ms. (orig./BJ) [de

  17. Cascade olefin isomerization/intramolecular Diels-Alder reaction catalyzed by N-heterocyclic carbenes.

    Science.gov (United States)

    Kowalczyk, Marcin; Lupton, David W

    2014-05-19

    The addition of an N-heterocyclic carbene to the carbonyl group of an α,β,γ,δ-unsaturated enol ester affords a hemiacetal azolium intermediate that enables a cascade olefin isomerization/Diels-Alder reaction, for which mechanistic studies implicate Lewis base catalysis. Preliminary studies into the utility of the products have been undertaken with reductive and oxidative cleavage, giving materials for potential use in complex-target synthesis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Modelling of tracer-kinetic results using xylene isomerization as an example

    International Nuclear Information System (INIS)

    Bauer, F.J.; Dermietzel, J.; Roesseler, M.; Koch, H.

    1976-01-01

    The analysis of results from differential or/and integral reactor experiments often admits the interpretation of a chemical reaction in several ways. In addition, the use of mathematical methods for the model selection and planning of experiments is rendered more difficult by great confidence intervals of the ascertained model parameters. The application of radioactively labelled molecules results in improving the knowledge of reaction mechanisms as well as the assessment of parameters obtained. This is shown on the basis of modelling the isomerization of xylene. (author)

  19. Macrocyclic effects upon isomeric Cu M and M Cu cores. Formation ...

    Indian Academy of Sciences (India)

    Administrator

    from the iminic site to the aminic site in the synthesis of 10 is explained by ... Our previous studies suggest that isomeric MIICuII ... Calcd. for C24H27Br2ClCuN4NiO8: C 35⋅28; H 3⋅33; N 6⋅86; Cu 7⋅78; Ni .... Electronic absorption spectra in .... 3. 1497(1). 1452. ⋅3(5). 2992(1). 1860(2). 3206(1). Z. 2. 2. 4. 2. 4. D calcd. /g.

  20. Isotope exchange study of nickel xanthate in presence of aniline and isomeric toluidines

    International Nuclear Information System (INIS)

    Naidu, G.R.K.; Naidu, P.R.

    1982-01-01

    Isotopic exchange behaviour of nickel xanthate is studied in the presence of aniline and three isomeric toluidines at 18degC. The effect of base concentration is also studied on the exchange rate. The results show that the complex is labile in the kinetic sense in the presence of aniline meta and para toluidines. The rate of exchange increases with and para toluidines. The rate of exchange increases with increase in concentration of the base. The complex displays inert behaviour in the presence of o-toluidine and it is ascribed to dominant steric effect. (author)

  1. Quantum control of isomerization by robust navigation in the energy spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Murgida, G. E., E-mail: murgida@tandar.cnea.gov.ar [Centro Atómico Constituyentes, GIyA, CNEA, San Martín, and Consejo Nacional de Investigaciones Científicas y Técnicas, C1033AAJ Buenos Aires (Argentina); Arranz, F. J., E-mail: fj.arranz@upm.es [Grupo de Sistemas Complejos, Universidad Politécnica de Madrid, 28040 Madrid (Spain); Borondo, F., E-mail: f.borondo@uam.es [Departamento de Química, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Instituto de Ciencias Matemáticas (ICMAT), Cantoblanco, 28049 Madrid (Spain)

    2015-12-07

    In this paper, we present a detailed study on the application of the quantum control technique of navigation in the energy spectrum to chemical isomerization processes, namely, CN–Li⇆ Li–CN. This technique is based on the controlled time variation of a Hamiltonian parameter, an external uniform electric field in our case. The main result of our work establishes that the navigation involved in the method is robust, in the sense that quite sizable deviations from a pre-established control parameter time profile can be introduced and still get good final results. This is specially relevant thinking of a experimental implementation of the method.

  2. Anesthetic implications of total anomalous systemic venous connection to left atrium with left isomerism

    Directory of Open Access Journals (Sweden)

    Parimala Prasanna Simha

    2012-01-01

    Full Text Available Total anomalous systemic venous connection (TASVC to the left atrium (LA is a rare congenital anomaly. An 11-year-old girl presented with complaints of palpitations and cyanosis. TASVC with left isomerism and noncompaction of LV was diagnosed after contrast echocardiogram and computed tomography angiogram. The knowledge of anatomy and pathophysiology is essential for the successful management of these cases. Anesthetic concerns in this case were polycythemia, paradoxical embolism and rhythm abnormalities. The patient was successfully operated by rerouting the systemic venous connection to the right atrium.

  3. Behavior of the excited deformed band and search for shape isomerism in 184Hg

    International Nuclear Information System (INIS)

    Cole, J.D.; Hamilton, J.H.; Ramayya, A.V.; Nettles, W.G.; Kawakami, H.; Spejewski, E.H.; Ijaz, M.A.; Toth, K.S.; Robinson, E.L.; Sastry, K.S.R.; Lin, J.; Avignone, F.T.; Brantley, W.H.; Rao, P.V.G.

    1976-01-01

    The new isotope 184 Tl has been identified with T 1 / 2 =11 +- 1 sec and the levels in 184 Hg investigated from its decay. The 0 + band head of a deformed band was found to drop to 375 keV in agreement with theoretical predictions. The mean life of the 375-keV 0 + level was measured to be 0.9 +- 0.3 nsec which is a factor of 10 faster than theoretically predicted for a shape-isomeric E2 transition

  4. Determination of the isomeric fraction in a postaccelerated radioactive ion beam using the coupled decay-chain equations

    CERN Document Server

    Ekstrom, A; Dijulio, D D; Cederkall, J; Van de Walle, J

    2010-01-01

    A method based on the coupled decay-chain equations for extracting the isotopic and the isomeric composition of a postaccelerated radioactive ion beam is presented and demonstrated on a data set from a Coulomb excitation experiment. This is the first attempt of analyzing the content of a postaccelerated radioactive ion beam using this technique. The beam composition is required for an absolute normalization of the measurement. The strength of the method, as compared to present online-based methods, lies in the determination of the isomeric fraction of a partially isomeric beam using all data accumulated during the experiment. We discuss the limitations and sensitivity of the method with respect to the gamma-ray detection efficiency and the accumulated flux. (C) 2010 Elsevier B.V. All rights reserved.

  5. D-, O- and OD- desorption induced by low-energy (0-20 eV) electron impact on amorphous D2O films

    International Nuclear Information System (INIS)

    Pan Xiaoning; Abdoul-Carime, Hassan; Cloutier, Pierre; Bass, Andrew D.; Sanche, Leon

    2005-01-01

    We report measurements of low-energy electron stimulated desorption of D - , O - and OD - anions from multilayer amorphous D 2 O films physisorbed on a Pt substrate. The 0-20 eV incident energy dependence (i.e., the yield function) of the desorbed D - yield reveals the presence of a strong peak located at 7.2 eV with a shoulder near 9 eV, which are due to dissociation of the transient states 2 B 1 and 2 A 1 of D 2 O, respectively. The O - and OD - yield functions each exhibit a single broad structure between 5 and 12 eV which also result from dissociative electron attachment (DEA). Due to the weakness of the O - and OD - signals, three possible processes involving DEA must be considered to explain their yield functions, i.e., direct DEA, reactive scattering and DEA to a new product in the film synthesized by the electron beam. It is concluded that at large electron doses (>7.5x10 14 electrons/cm 2 ), these broad peaks arise from DEA to a new product, whereas at lower dose the possibility of direct DEA (i.e., e - +D 2 O→D 2 O - →O - +D 2 and OD - +D) cannot be entirely discounted. Above 15 eV, all anion yield functions exhibit a monotonic rise due to direct dipolar dissociation

  6. Sõlmornamendist, eriti muinaskäevõrudel ja setu naiste ülerõivastel / Mare Piho

    Index Scriptorium Estoniae

    Piho, Mare, 1944-

    2006-01-01

    Artikli ajendiks sai 1972. aastal Setumaalt juhuleiuna saadud 11. sajandi käevõru. Käevõrul kujutaud plettornamenti on kasutatud setu naiste 19. sajandi keskpaiga - 20. sajandi riietelel. Sõlmest kui märgist ja selle tähendusest. Sõlmornamendist setu naiste pealisriietel. Sõlmornamendi järjepidevusest ja püsimisest

  7. Comparison of the LEGO Mindstorms NXT and EV3 Robotics Education Platforms

    Science.gov (United States)

    Sherrard, Ann; Rhodes, Amy

    2014-01-01

    The release of the latest LEGO Mindstorms EV3 robotics platform in September 2013 has provided a dilemma for many youth robotics leaders. There is a need to understand the differences in the Mindstorms NXT and EV3 in order to make future robotics purchases. In this article the differences are identified regarding software, hardware, sensors, the…

  8. Strategic Concept of the Development of EV and SFV in China

    Institute of Scientific and Technical Information of China (English)

    1997-01-01

    <正> Ⅰ. Strategic Concept for the development of EV and SFV The development of EV and SFV is one of the objective requirements for the auto industry in the 21st century by sustainable development strategy. It is also a practicable way of developing China auto industry in line with the environmental protection policy and the energy develop

  9. Effects of Adopol EVS-9279X on the emulsion and film properties of ...

    African Journals Online (AJOL)

    The effects of Adopol EVS-9279X on the emulsion and film properties of emulsion paint were investigated using 5% - 10% w/w sample formulations. Results indicate that Adopol EVS-9279X did not alter the apparent viscosities of the emulsion paint samples. It was found to have lowered the specific gravity from 1.53 to 1.47 ...

  10. EV71 vaccine, a new tool to control outbreaks of hand, foot and mouth disease (HFMD).

    Science.gov (United States)

    Mao, Qun-ying; Wang, Yiping; Bian, Lianlian; Xu, Miao; Liang, Zhenglun

    2016-05-01

    On December 3rd 2015, the China Food and Drug Administration (CFDA) approved the first inactivated Enterovirus 71 (EV71) whole virus vaccine for preventing severe hand, foot and mouth disease (HFMD). As one of the few preventive vaccines for children's infectious diseases generated by the developing countries in recent years, EV71 vaccine is a blessing to children's health in China and worldwide. However, there are still a few challenges facing the worldwide use of EV71 vaccine, including the applicability against various EV71 pandemic strains in other countries, international requirements on vaccine production and quality control, standardization and harmonization on different pathogen monitoring and detecting methods, etc. In addition, the affordability of EV71 vaccine in other countries is a factor to be considered in HFMD prevention. Therefore, with EV71 vaccine commercially available, there is still a long way to go before reaching effective protection against severe HFMD after EV71 vaccines enter the market. In this paper, the bottlenecks and prospects for the wide use of EV71 vaccine after its approval are evaluated.

  11. Data of evolutionary structure change: 1EV4D-2OADA [Confc[Archive

    Lifescience Database Archive (English)

    Full Text Available 1EV4D-2OADA 1EV4 2OAD D A SGKPVLHYFNARGRMECIRFLLAAAGVEFDEKFIQSPED...ine> ASP CA 238 2OAD A 2OADA...bID>2OAD A 2OADA LLSQNQGGKAFI...2OAD A 2OADA EEVVT-----IDTWM ...ID> 3 2OAD A 2OADA

  12. Immunogenicity Studies of Bivalent Inactivated Virions of EV71/CVA16 Formulated with Submicron Emulsion Systems

    Directory of Open Access Journals (Sweden)

    Chih-Wei Lin

    2014-01-01

    Full Text Available We assessed two strategies for preparing candidate vaccines against hand, foot, and mouth disease (HFMD caused mainly by infections of enterovirus (EV 71 and coxsackievirus (CV A16. We firstly design and optimize the potency of adjuvant combinations of emulsion-based delivery systems, using EV71 candidate vaccine as a model. We then perform immunogenicity studies in mice of EV71/CVA16 antigen combinations formulated with PELC/CpG. A single dose of inactivated EV71 virion (0.2 μg emulsified in submicron particles was found (i to induce potent antigen-specific neutralizing antibody responses and (ii consistently to elicit broad antibody responses against EV71 neutralization epitopes. A single dose immunogenicity study of bivalent activated EV71/CVA16 virion formulated with either Alum or PELC/CpG adjuvant showed that CVA16 antigen failed to elicit CVA16 neutralizing antibody responses and did not affect EV71-specific neutralizing antibody responses. A boosting dose of emulsified EV71/CVA16 bivalent vaccine candidate was found to be necessary to achieve high seroconversion of CVA16-specific neutralizing antibody responses. The current results are important for the design and development of prophylactic vaccines against HFMD and other emerging infectious diseases.

  13. Photo-isomerization induced rapid photo-degradation of optical nonlinearity in cyano substituted stilbene derivative doped poled polymer

    International Nuclear Information System (INIS)

    Yan Jieyun; Liu Liying; Ji Liyong; Ye Mingxin; Xu Lei; Wang Wencheng

    2004-01-01

    We found that, although alpha'-cyano-4'-nitro-4-N, N-dimethylaminostilbene has larger hyperpolarizability than that of conventional 4'-N, N-dimethylamino-nitrostilbene, the addition of the cyano group makes it much more easy to photo-isomerize, thus destroying the molecular ordering in poled chromophore doped polymers. Experimental evidence was obtained by monitoring the second-harmonic generation intensity, UV-Vis absorption spectrum, and FTIR spectrum. The photo-isomerization reaction process was monitored by optical pump induced absorption anisotropy measurement. Comparisons with the behaviour of a azobenzene dye are also made

  14. Isomeric cross-section ratios of some (n,2n) reactions at 14. 7 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Garg, K C; Khurana, C S [Punjabi Univ., Patiala (India). Nuclear Science Labs.

    1979-08-01

    Isomeric cross-section ratios of (n,2n) reactions at 14.7 MeV leading to the millisecond isomeric levels have been calculated theoretically using the statistical theory of nuclear reactions and the spin distribution form due to Bethe and Bloch. The theoretical ratios have been compared with the experimentally measured values in order to evaluate the spin cut-off parameter sigma. This parameter has been used to calculate the effective moment of inertia of the nucleus to draw useful conclusions from the results of present calculations.

  15. An Insight into Flotation Chemistry of Pyrite with Isomeric Xanthates: A Combined Experimental and Computational Study

    Directory of Open Access Journals (Sweden)

    Guihong Han

    2018-04-01

    Full Text Available The flotation chemistry between pyrite and isomeric xanthates (butyl xanthate and isobutyl xanthate was investigated by means of adsorption experiments, surface tension tests, and molecular dynamic simulations in this work. The flotation chemical results were confirmed and further interpreted by quantum chemical calculations. The experiment results demonstrated that the isobutyl xanthate exhibited superior adsorption capacity and surface activity than those of butyl xanthate in flotation chemistry. In addition, molecular dynamic simulations were simultaneously performed in constant number, constant volume and temperature (NVT, and constant number, constant volume, and pressure (NPT ensemble, indicating that the NPT ensemble was more suitable to the flotation system and the isobutyl xanthate was easier to be adsorbed on pyrite surface compared with butyl xanthate during an appropriate range of concentrations. Furthermore, the quantum chemical calculations elucidated that the isobutyl xanthate presented higher reactivity than that of the corresponding butyl xanthate based on the frontier molecular orbital theory of chemical reactivity, which was consistent with experimental and simulation results obtained. This work can provide theoretical guidance for an in-depth study of the flotation chemistry of pyrite with isomeric xanthates.

  16. In vitro metabolism of nitric oxide-donating aspirin: the effect of positional isomerism.

    Science.gov (United States)

    Gao, Jianjun; Kashfi, Khosrow; Rigas, Basil

    2005-03-01

    NO-donating aspirin (NO-ASA) is a potentially important chemopreventive agent against cancer. Since positional isomerism affects strongly its potency in inhibiting colon cancer cell growth, we studied the metabolic transformations of its ortho-, meta-, and para-isomers in rat liver and colon cytosolic, microsomal, and mitochondrial fractions as well as in intact HT-29 human colon cancer cells. NO-ASA and metabolites were determined by high-performance liquid chromatography and products identified by mass spectroscopy, as required. For all three isomers, the acetyl group on the ASA moiety was hydrolyzed rapidly. This was followed by hydrolysis of the ester bond linking the salicylate anion to the spacer. The ortho- and para-isomers produced salicylic acid and a putative intermediate consisting of the remainder of the molecule, which via a rapid step generated nitrate, (hydroxymethyl)phenol, and a conjugate of spacer with glutathione. The meta-isomer, in contrast, generated salicylic acid and (nitroxymethyl)phenol, the latter leading to (hydroxymethyl)phenol and the glutathione-spacer conjugate. This metabolic pathway takes place in its entirety only in the cytosolic fraction of the tissues tested and in intact human colon cancer cells, perhaps reflecting exposure to the cytosolic glutathione S-transferase, which catalyzes the formation of the spacer-glutathione conjugate. Thus, the three positional isomers of NO-ASA differ in their metabolism and these differences correlate with their differential effects on cancer cell growth, underscoring the importance of positional isomerism in modulating drug effects.

  17. Material Balance And Reaction Kinetics Modeling For Penex Isomerization Process In Daura Refinery

    Directory of Open Access Journals (Sweden)

    Hamadi Adel Sharif

    2017-01-01

    Full Text Available Penex Deisohexanizer isomerization of light straight run naphtha is a significant process for petroleum refining and proved to be effective technology to produce gasoline components with a high octane number. Modeling of the chemical kinetic reactions is an important tool because it is a better tool for optimization of the experimental data into parameters used for industrial reactors. The present study deals on the isomerization process in Daura refinery. Material balance calculations were done mathematically on the unit for the kinetics prediction purpose. A kinetic mathematical model was derived for the prediction rate constants K1 and K2 and activation energy Ea at operating temperatures range 120-180°C. According to the model, the results show that with increasing of temperature leads to increased K1 directly, where the K2 values proportional inversely. The activation energy results show that Ea1(nC6

  18. Silver complexation and tandem mass spectrometry for differentiation of isomeric flavonoid diglycosides.

    Science.gov (United States)

    Zhang, Junmei; Brodbelt, Jennifer S

    2005-03-15

    For detection and differentiation of isomeric flavonoids, electrospray ionization mass spectrometry is used to generate silver complexes of the type (Ag + flavonoid)+. Collisionally activated dissociation (CAD) of the resulting 1:1 silver/flavonoid complexes allows isomer differentiation of flavonoids. Eighteen flavonoid diglycosides constituting seven isomeric series are distinguishable from each other based on the CAD patterns of their silver complexes. Characteristic dissociation pathways allow identification of the site of glycosylation, the type of disaccharide (rutinose versus neohesperidose), and the type of aglycon (flavonol versus flavone versus flavanone). This silver complexation method is more universal than previous metal complexation methods, as intense silver complexes are observed even for flavonoids that lack the typical metal chelation sites. To demonstrate the feasibility of using silver complexation and tandem mass spectrometry to characterize flavonoids in complex mixtures, flavonoids extracted from grapefruit juice are separated by high-performance liquid chromatography and analyzed via a postcolumn complexation ESI-MS/MS strategy. Diagnostic fragmentation pathways of the silver complexes of the individual eluting flavonoids allow successful identification of the six flavonoids in the extract.

  19. Isotopic study on mechanism for skeletal isomerization of n-butane over solid acids

    International Nuclear Information System (INIS)

    Suzuki, Tetsuo; Okuhara, Toshio

    2000-01-01

    Reaction mechanism for skeletal isomerization of n-butane over typical strong solid acids were investigated by using 1,4- 13 C 2 -n-butane. We used FI MASS for the analysis of 13 C distribution to get the parent pattern. 13 C-distribution of isobutane formed at 423 K over SO 3 2- /ZrO 2 (SZ) and Cs 2.5 H 0.5 PW 12 O 40 (Cs2.5) were close to binomial distributions, indicating that the isomerization proceeded mainly via a bimolecular mechanism on these catalysts. On the other hand, at 523 K over Cs2.5, the isotopic distribution pattern in isobutane was quite different from the binomial one; the fraction of 13 C 2 -isobutane was much greater than the binomial distribution. This result demonstrates that an intramolecular (monomolecular) rearrangement became significant at 523 K over Cs2.5. The contribution of monomolecular pathway was higher on Cs2.5 than on SZ. We presumed that the contribution of mechanism is related to the acidic property and the dehydrogenation ability of the catalyst. (S.Y.)

  20. Isomeric signatures in the fragmentation of pyridazine and pyrimidine induced by fast ion impact

    Energy Technology Data Exchange (ETDEWEB)

    Wolff, Wania, E-mail: wania@if.ufrj.br; Luna, Hugo; Montenegro, Eduardo C. [Instituto de Física, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ (Brazil)

    2015-07-28

    We present fast proton impact induced fragmentations of pyrimidine and pyridazine as an experimental resource to investigate isomeric signatures. Major isomeric imprints are identified for few fragment ions and differences of more than an order of magnitude for the cross sections of fragments of the same mass were measured. The observation of the molecular structure of these isomers gives no apparent indication for the reasons for such substantial differences. It is verified that the simple displacement of the position of one nitrogen atom strongly inhibits or favors the production of some ionic fragment species. The dependency of the fragmentation cross sections on the proton impact energy, investigated by means of time of flight mass spectroscopy and of a model calculation based in first order perturbation theory, allows us to disentangle the complex collision dynamics of the ionic fragments. The proton-induced fragmentation discriminates rather directly the association between a molecular orbital ionization and the fragment-ions creation and abundance, as well as how the redistribution of the energy imparted to the molecules takes place, triggering not only single but also double vacancy and leads to specific fragmentation pathways.

  1. Thermodynamic calculation of simultaneous reactions of n-butane isomerization and isobutane alkylation with ethylene

    Energy Technology Data Exchange (ETDEWEB)

    Batyrshin, N.N.; Beresneva, L.D.; Sidorov, V.A.

    1981-08-01

    Industrial production of ethylene alkylate has gained further development in connection with worldwide ecological problems and the planned changeover of automobile transport to unleaded gasolines, but the scale of production is still substantially less than that of sulfuric acid or hydrogen fluoride alkylates. This is due both to the instability of market prices for ethylene and the shortage of isobutane - a raw material for these large-tonnage production processes and for the synthetic rubber industry. The latter difficulty can be overcome by combining processes of isomerization of n-butane and alkylation of the resultant isobutane with ethylene in a single reaction unit. The possibility of combining these reactions using AlCl/sub 3/-based catalysts has been pointed out previously but in the literature there are no theoretical developments of technology or thermodynamic substantiation of a combined process. We have made a thermodynamic calculation of the consecutive (series-parallel) reactions of isomerization and alkylation with the goal of determining suitable technological conditions for carrying them out simultaneously and establishing the expected equilibrium yields of target products and the compositions of the reaction mixture.

  2. Study on the economic and environmental benefits of different EV powertrain topologies

    International Nuclear Information System (INIS)

    Wang, Bin; Xu, Min; Yang, Li

    2014-01-01

    Highlights: • EV powertrain topologies can be realized by flexible distributed electric motors. • Model-based design optimization method is used to analyze and evaluate the EV. • The wheel-hub drive with reducer possesses the most competitive advantages. • US06 and NYCC result in the deterioration of EVs’ cost and GHG emissions. - Abstract: Numerous feasible schemes of powertrain topology can be designed for the electric vehicles (EVs) based on the distributed configurations of the electric motors. In this study, the effects of different EV powertrain topologies on the energy efficiency, vehicle ownership cost and lifecycle greenhouse gas (GHG) emissions of EVs are investigated. Energy-based vehicle simulation model including the regenerative braking function and battery degradation prediction method is established firstly. An optimization scheme combining the energy-based vehicle simulation model is conducted to minimize the electric energy consumption under various scenarios and driving conditions. Then the vehicle ownership cost and lifecycle GHG emissions of EVs are evaluated based on Chinese EV market and electricity grid. The sensitivity analyses of EV powertrain topology are implemented based on the different vehicle weights, CO 2 intensities of electricity and all-electric ranges. Results show that EVs using the powertrain of wheel-hub drive with the gear reducer have lower energy consumption. Furthermore, the driving cycles with more aggressive acceleration/deceleration and frequently stop-and-go conditions can increase both the vehicle ownership cost and lifecycle GHG emissions simultaneously. Chinese city traffic conditions will help EVs to obtain more benefits in respect of the economy and environment

  3. Towards a meaningful metric for the quantification of GHG emissions of electric vehicles (EVs)

    International Nuclear Information System (INIS)

    Manjunath, Archana; Gross, George

    2017-01-01

    A key motivator for wider deployment of electric vehicles (EVs) – vehicles that are fully powered by battery charged from grid electricity – is to bring about environmental cleanliness. This goal is based on the fact that EVs produce zero tailpipe emissioon the associated carbon emissins. However, the generation and transmission of the charge electricity produce emissions that are not explicitly accounted by current measurement metrics for EV greenhouse gas (GHG) emissions and as such, the notion of environmental cleanliness of EVs becomes questionable. In this paper, we propose a comprehensive metric to quantify the actual environmental impacts of EVs. The new metric that we call the electric vehicle emissions index (EVEI) captures CO_2 emissions in the electricity production to consumption stages. Our metric is the first that provides transparency in the comparison of total emissions among various EV models, as well as in the side-by-side comparison of an EV with a gasoline vehicle (GV). Illustrative results indicate that the actual environmental impacts of an EV may show wide spatial variations and in some case, these impacts may be even greater than that of GV. Such insights that the EVEI provides may be useful in a wide range of applications, particularly in policy and incentive formulation. - Highlights: • We propose the Electric Vehicle Emission Index (EVEI) metric. • EVEI indicates the EV environmental impacts w.r.t gasoline vehicles (GVs). • Fuel economy and resource mix are the major contributors to emissions. • Results indicate EVs may prove to be dirtier than GVs in certain areas of usage. • Insights may prove to be valuable to policy and incentive formulation.

  4. Formation of a Zn{sub 3}0{sup 6}7 isomer state by bombardment with neutrons; Formacion de un estado isomero del Zn{sub 3}0{sup 6}7 mediante bombardeo con neutrones lentos

    Energy Technology Data Exchange (ETDEWEB)

    Montes Ponce de Leon, J.; Sanchez del Rio, C

    1956-07-01

    In this paper the identification of the isomeric state of Zn{sup 6}7 by a new method is described Isotopes Zn{sup 6}6 y Zn{sup 6}7 being both stable, the capture of slow neutrons by Zn{sup 6}6 leads sometimes to the formation of the isomeric state of Zn{sup 6}7 ; the state is identified by its half-life measured by means of delayed coincidences between the capture and the isomeric gamma rays. (Author)

  5. Baseline Testing of the EV Global E-Bike with Ultracapacitors

    Science.gov (United States)

    Eichenberg, Dennis J.; Kolacz, John S.; Tavernelli, Paul F.

    2001-01-01

    The NASA John H. Glenn Research Center initiated baseline testing of the EV Global E-Bike SX with ultracapacitors as a way to reduce pollution in urban areas, reduce fossil fuel consumption, and reduce operating costs for transportation systems. The E-Bike provides an inexpensive approach to advance the state of art in hybrid technology in a practical application. The project transfers space technology to terrestrial use via nontraditional partners, and provides power system data valuable for future space applications. The work was done under the Hybrid Power Management (HPM) Program, which includes the Hybrid Electric Transit Bus (HETB). The E-Bike is a state of the art, ground up, hybrid electrical bicycle. Unique features of the vehicle's power system include the use of an efficient, 400 W electric hub motor, and a seven-speed derailleur system that permits operation as fully electric, fully pedal, or a combination of the two. Other innovative features, such as regenerative braking through ultracapacitor energy storage, are planned. Regenerative braking recovers much of the kinetic energy of the vehicle during deceleration. A description of the E-bike, the results of performance testing, and future vehicle development plans are given in this report. The report concludes that the E-Bike provides excellent performance, and that the implementation of ultracapacitors in the power system can provide significant performance improvements.

  6. Semileptonic (Λb → Λc eV) decay in a field theoretic quark model

    International Nuclear Information System (INIS)

    Das, R.K.; Panda, A.R.; Sahoo, R.K.; Swain, M.R.

    2002-01-01

    The semileptonic decay width of heavy baryons such as (Λ b → Λ c eV) has been estimated in the framework of a nonrelativistic field theoretic quark model where four component quark field operators along with a harmonic oscillator wave function are used to describe translationally invariant hadronic states. The present estimation does not make an explicit use of heavy quark symmetry and has a reasonable agreement with the experimentally measured decay width, polarisation ratio and form factors with the harmonic oscillator radii and quark momentum distribution inside the hadron as free parameters. (author)

  7. Shift of Enterovirus species among children in Cameroon--identification of a new enterovirus, EV-A119.

    Science.gov (United States)

    Ayukekbong, James; Kabayiza, Jean-Claude; Lindh, Magnus; Nkuo-Akenji, Theresia; Tah, Ferdinand; Bergström, Tomas; Norder, Helene

    2013-09-01

    Infections caused by human enteroviruses (EVs) are often asymptomatic or mild, although they may cause more severe illnesses as meningitis and acute flaccid paralysis. EVs have globally posed a threat to children, and outbreaks of aseptic meningitis and hand, foot and mouth disease are frequently reported. To identify EV strains circulating among healthy children in a small community in Limbe, Cameroon two years apart. Species and EV types were obtained by partial 5'UTR-VP4 and VP1 sequencing of RNA from stool samples collected in October 2009 and September 2011 from 150 children in Cameroon. In all, 74 children (49%) were infected with 28 different types of EV. There were 29 (54%) infected children in 2009, and 45 (47%) in 2011. There was a significant difference between detected species of EV, with 15 (47%) children infected with EV-A in 2009, and 22 (71%) with EV-B in 2011 (p=0.0001). In 2009, one child was infected by a divergent EV, which was most similar to EV-A90. Based on the complete VP1 sequence, it was shown to be a new EV designated EV-A119. The current study shows a high heterogeneity of circulating EV types among children in Limbe, Cameroon, and a previously not described shift in predominating EV species. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Inherited MST1 deficiency underlies susceptibility to EV-HPV infections.

    Directory of Open Access Journals (Sweden)

    Amandine Crequer

    Full Text Available Epidermodysplasia verruciformis (EV is characterized by persistent cutaneous lesions caused by a specific group of related human papillomavirus genotypes (EV-HPVs in otherwise healthy individuals. Autosomal recessive (AR EVER1 and EVER2 deficiencies account for two thirds of known cases of EV. AR RHOH deficiency has recently been described in two siblings with EV-HPV infections as well as other infectious and tumoral manifestations. We report here the whole-exome based discovery of AR MST1 deficiency in a 19-year-old patient with a T-cell deficiency associated with EV-HPV, bacterial and fungal infections. MST1 deficiency has recently been described in seven patients from three unrelated kindreds with profound T-cell deficiency and various viral and bacterial infections. The patient was also homozygous for a rare ERCC3 variation. Our findings broaden the clinical range of infections seen in MST1 deficiency and provide a new genetic etiology of susceptibility to EV-HPV infections. Together with the recent discovery of RHOH deficiency, they suggest that T cells are involved in the control of EV-HPVs, at least in some individuals.

  9. Proceedings of the EV2010 electric vehicles conference and trade show

    Energy Technology Data Exchange (ETDEWEB)

    Elwood, M. [Electric Mobility Canada, Mississauga, ON (Canada); Dubois-Phillips, M. [BC Hydro, Vancouver, BC (Canada)] (comps.)

    2010-07-01

    This conference provided a forum to address the challenges facing the adoption of electric vehicles (EV) in Canada. Topics of discussions ranged from the Canadian public's levels of awareness of EVs, motivators to adoption of EVs and barriers to broader acceptance and market diffusion of EVs. Five sessions related to vehicle technologies focused on vehicles and their components, energy storage, power management, testing and operating conditions. Three sessions on infrastructure and other readiness measures, focused on grid capacity and impacts, charging infrastructure and the vehicle/grid interface. Four sessions on public policies and institutional changes focused on how EVs are a critical pathway to address peak oil and greenhouse gases, and that public policy is needed to support adoption of the technology. Four sessions on commercialization and environmental impacts focused on market forecasts, the need for EVs and on business models used by EV manufacturers to promote the technology and explain the environmental benefits. The conference featured 65 presentations, of which 20 have been catalogued separately for inclusion in this database. refs., tabs., figs.

  10. Taras Ševčenko in the Prose and Poetry of Vasyl’ Stus

    Directory of Open Access Journals (Sweden)

    Alessandro Achilli

    2016-02-01

    Full Text Available The presence of Ševčenko in the poetry of Vasyl’ Stus and Stus’s widespread stereotypical image as a reincarnation of Ševčenko in the 20th century have occupied an important role in both literary studies and popularization. In my article I reconsider this fundamental issue by discussing Stus’s reception of Ševčenko in his critical essays, his letters, and his poetry. My focus is on both Ševčenko’s presence as a ‘fictional character’ in some poems by Stus and the overall influence of Ševčenko’s poetry on Stus’s poetic writing. Moreover, Stus’s representation of Ševčenko is compared with other images of the 19th-century poet in modern Ukrainian poetry from the Avant-garde up to the Seventies. In the conclusion I point out how Ševčenko’s Romanticism should not be confused with Stus’s Modernism. The former should be seen as a part of the complex intertextual mechanism which lies at the heart of Stus’s poetry.

  11. Management Approach for NASA's Earth Venture-1 (EV-1) Airborne Science Investigations

    Science.gov (United States)

    Guillory, Anthony R.; Denkins, Todd C.; Allen, B. Danette

    2013-01-01

    The Earth System Science Pathfinder (ESSP) Program Office (PO) is responsible for programmatic management of National Aeronautics and Space Administration's (NASA) Science Mission Directorate's (SMD) Earth Venture (EV) missions. EV is composed of both orbital and suborbital Earth science missions. The first of the Earth Venture missions is EV-1, which are Principal Investigator-led, temporally-sustained, suborbital (airborne) science investigations costcapped at $30M each over five years. Traditional orbital procedures, processes and standards used to manage previous ESSP missions, while effective, are disproportionally comprehensive for suborbital missions. Conversely, existing airborne practices are primarily intended for smaller, temporally shorter investigations, and traditionally managed directly by a program scientist as opposed to a program office such as ESSP. In 2010, ESSP crafted a management approach for the successful implementation of the EV-1 missions within the constructs of current governance models. NASA Research and Technology Program and Project Management Requirements form the foundation of the approach for EV-1. Additionally, requirements from other existing NASA Procedural Requirements (NPRs), systems engineering guidance and management handbooks were adapted to manage programmatic, technical, schedule, cost elements and risk. As the EV-1 missions are nearly at the end of their successful execution and project lifecycle and the submission deadline of the next mission proposals near, the ESSP PO is taking the lessons learned and updated the programmatic management approach for all future Earth Venture Suborbital (EVS) missions for an even more flexible and streamlined management approach.

  12. Energy spectrum of primary cosmic rays from 1016eV to 1019eV determined from air showers observed at 5200 m a.s.l

    International Nuclear Information System (INIS)

    Aguirre, C.; Mejia, G.R.; Yoshii, H.; Toyoda, Y.

    1977-01-01

    Energy spectra of primary cosmic rays from 10 16 eV to 10 19 eV have been determined from electron-sizes as well as from muon-sizes of the same air showers observed at Mt. Chacaltaya. The spectrum from electron-sizes is significantly higher than that from muon-sizes. The discrepancy is discussed and an explanation is given under the assumption of possible existence of copious direct production of photons besides the production of charged and neutral pions at these high energies. The spectra are also compared with those by other groups and the discrepancies are discussed. (author)

  13. Synthesis of Heterocycles through a Ruthenium‐Catalyzed Tandem Ring‐Closing Metathesis/Isomerization/N‐Acyliminium Cyclization Sequence

    DEFF Research Database (Denmark)

    Ascic, Erhad; Jensen, Jakob Feldthusen; Nielsen, Thomas Eiland

    2011-01-01

    Tandem bicycle: In the title reaction double bonds created during ring-closing metathesis isomerize to generate reactive iminium intermediates that undergo intramolecular cyclization reactions with tethered heteroatom and carbon nucleophiles. In this way, a series of biologically interesting hete...... heterocyclic compounds can be made, including a known precursor for the total synthesis of the antiparasitic natural product harmicine....

  14. Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer

    Czech Academy of Sciences Publication Activity Database

    Linseis, M.; Záliš, Stanislav; Zabel, M.; Winter, R. F.

    2012-01-01

    Roč. 134, č. 40 (2012), s. 16671-16692 ISSN 0002-7863 R&D Projects: GA MŠk LD11086 Institutional support: RVO:61388955 Keywords : CIS-TRANS-ISOMERIZATION * MIXED-VALENCE COMPOUNDS * VIBRATIONAL TIME -SCALE Subject RIV: CG - Electrochemistry Impact factor: 10.677, year: 2012

  15. Valence isomerization of 2-phospha-4-silabicyclo[1.1.0]butane: a high-level ab initio study

    NARCIS (Netherlands)

    Slootweg, J.C.; Ehlers, A.W.; Lammertsma, K.

    2006-01-01

    The rearrangements for 2-phospha-4-silabicyclo[1.1.0]butane, analogous to the valence isomerization of the hydrocarbons bicyclobutane, 1,3-butadiene, and cyclobutene, were studied at the (U)QCISD(T)/ 6-311+G**//(U)QCISD/6-31G* level of theory. The monocyclic 1,2-dihydro-1,2-phosphasiletes are shown

  16. Anion-assisted trans-cis isomerization of palladium(II) phosphine complexes containing acetanilide functionalities through hydrogen bonding interactions.

    Science.gov (United States)

    Lu, Xiao-Xia; Tang, Hau-San; Ko, Chi-Chiu; Wong, Jenny Ka-Yan; Zhu, Nianyong; Yam, Vivian Wing-Wah

    2005-03-28

    The anion-assisted shift of trans-cis isomerization equilibrium of a palladium(II) complex containing acetanilide functionalities brought about by allosteric hydrogen bonding interactions has been established by UV/Vis, 1H NMR, 31P NMR and ESI-MS studies.

  17. Investigation of the interaction between isomeric derivatives and human serum albumin by fluorescence spectroscopy and molecular modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ruiyong, E-mail: wangry@zzu.edu.cn; Dou, Huanjing; Yin, Yujing; Xie, Yuanzhe; Sun, Li; Liu, Chunmei; Dong, Jingjing; Huang, Gang; Zhu, Yanyan; Song, Chuanjun, E-mail: chjsong@zzu.edu.cn; Chang, Junbiao, E-mail: changjunbiao@zzu.edu.cn

    2014-10-15

    In this paper, we have synthesized 9H-pyrrolo[1,2-a]indol-9-ones and the isomeric indeno[2,1-b]pyrrol-8-ones. The interactions of human serum albumin with series of isomeric derivatives have been studied by spectrophotometric methods. Results show the intrinsic fluorescence is quenched by the derivatives with a static quenching procedure. The thermodynamics parameters indicate that van der Waals forces and hydrogen bonds play a major role in the interactions. The results of synchronous fluorescence spectra demonstrate that the microenvironments of Trp residue of human serum albumin are disturbed by most derivatives. Thermodynamic results showed that the 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers and bind to human serum albumin with the higher affinity than isomeric indeno[2,1-b]pyrrol-8-ones. The influence of molecular structure on the binding aspects has been investigated. - Highlights: • The interactions between isomeric derivatives and HSA have been investigated. • Results reveal that 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers for HSA. • Hydrogen bonds and van der Waals forces play major role in the binding process. • The influence of molecular structure on the binding aspects has been investigated. • The binding study was also modeled by molecular docking.

  18. Investigation of the interaction between isomeric derivatives and human serum albumin by fluorescence spectroscopy and molecular modeling

    International Nuclear Information System (INIS)

    Wang, Ruiyong; Dou, Huanjing; Yin, Yujing; Xie, Yuanzhe; Sun, Li; Liu, Chunmei; Dong, Jingjing; Huang, Gang; Zhu, Yanyan; Song, Chuanjun; Chang, Junbiao

    2014-01-01

    In this paper, we have synthesized 9H-pyrrolo[1,2-a]indol-9-ones and the isomeric indeno[2,1-b]pyrrol-8-ones. The interactions of human serum albumin with series of isomeric derivatives have been studied by spectrophotometric methods. Results show the intrinsic fluorescence is quenched by the derivatives with a static quenching procedure. The thermodynamics parameters indicate that van der Waals forces and hydrogen bonds play a major role in the interactions. The results of synchronous fluorescence spectra demonstrate that the microenvironments of Trp residue of human serum albumin are disturbed by most derivatives. Thermodynamic results showed that the 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers and bind to human serum albumin with the higher affinity than isomeric indeno[2,1-b]pyrrol-8-ones. The influence of molecular structure on the binding aspects has been investigated. - Highlights: • The interactions between isomeric derivatives and HSA have been investigated. • Results reveal that 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers for HSA. • Hydrogen bonds and van der Waals forces play major role in the binding process. • The influence of molecular structure on the binding aspects has been investigated. • The binding study was also modeled by molecular docking

  19. Nitrite-reductase and peroxynitrite isomerization activities of Methanosarcina acetivorans protoglobin.

    Directory of Open Access Journals (Sweden)

    Paolo Ascenzi

    Full Text Available Within the globin superfamily, protoglobins (Pgb belong phylogenetically to the same cluster of two-domain globin-coupled sensors and single-domain sensor globins. Multiple functional roles have been postulated for Methanosarcina acetivorans Pgb (Ma-Pgb, since the detoxification of reactive nitrogen and oxygen species might co-exist with enzymatic activity(ies to facilitate the conversion of CO to methane. Here, the nitrite-reductase and peroxynitrite isomerization activities of the CysE20Ser mutant of Ma-Pgb (Ma-Pgb* are reported and analyzed in parallel with those of related heme-proteins. Kinetics of nitrite-reductase activity of ferrous Ma-Pgb* (Ma-Pgb*-Fe(II is biphasic and values of the second-order rate constant for the reduction of NO2- to NO and the concomitant formation of nitrosylated Ma-Pgb*-Fe(II (Ma-Pgb*-Fe(II-NO are k(app1= 9.6 ± 0.2 M(-1 s(-1 and k(app2 = 1.2 ± 0.1 M(-1 s(-1 (at pH 7.4 and 20 °C. The k(app1 and k(app2 values increase by about one order of magnitude for each pH unit decrease, between pH 8.3 and 6.2, indicating that the reaction requires one proton. On the other hand, kinetics of peroxynitrite isomerization catalyzed by ferric Ma-Pgb* (Ma-Pgb*-Fe(III is monophasic and values of the second order rate constant for peroxynitrite isomerization by Ma-Pgb*-Fe(III and of the first order rate constant for the spontaneous conversion of peroxynitrite to nitrate are h(app = 3.8 × 10(4 M(-1 s(-1 and h0 = 2.8 × 10(-1 s(-1 (at pH 7.4 and 20 °C. The pH-dependence of hon and h0 values reflects the acid-base equilibrium of peroxynitrite (pKa = 6.7 and 6.9, respectively; at 20 °C, indicating that HOONO is the species that reacts preferentially with the heme-Fe(III atom. These results highlight the potential role of Pgbs in the biosynthesis and scavenging of reactive nitrogen and oxygen species.

  20. Optimization and control method for smart charging of EVs facilitated by Fleet operator

    DEFF Research Database (Denmark)

    Hu, Junjie; You, Shi; Si, Chengyong

    2013-01-01

    the energy during the period of high electricity penetration and feed the electricity back into the grid when the demand is high or in situations of insufficient electricity generation. However, the extra loads created by increasing EVs may have adverse impacts on grid. These factors will bring new......-tion and the facilitator EV fleet operator are introduced. Secondly, control architec-tures and their integrations in term of electricity market and distribution grid are discussed. Then, data analysis of EVs including a battery model and driving pattern is presented. Further discussion is given on mathematical modelling...

  1. Optimal Design of DC Fast-Charging Stations for EVs in Low Voltage Grids

    DEFF Research Database (Denmark)

    Gjelaj, Marjan; Træholt, Chresten; Hashemi Toghroljerdi, Seyedmostafa

    2017-01-01

    DC Fast Charging Station (DCFCS) is essential for widespread use of Electric Vehicle (EVs). It can recharge EVs in direct current in a short period of time. In recent years, the increasing penetration of EVs and their charging systems are going through a series of changes. This paper addresses...... on the power grid through the application of electrical storage systems within the DC fast charging stations. The proposed solution decreases the charging time and the impact on the low voltage (LV) grid significantly. The charger can be used as a multifunctional grid-utility such as congestion management...

  2. EV Charging Analysis Based on the National Travel Surveys of the Nordic Area

    DEFF Research Database (Denmark)

    Liu, Zhaoxi; Wu, Qiuwei

    2014-01-01

    This paper presents the charging demand profiles of electric vehicles (EVs) based on the National Travel Surveys of the Nordic area. The EV charging analysis is carried out considering different types of charging patterns which are dumb charging, timed charging and spot price based charging....... The driving behavior of the vehicles is studied through the National Travel Surveys of Denmark, Finland, Norway and Sweden. The features of the charging demand are discussed based on the results of the analysis. The study in this paper provides an estimation of the possible level and patterns of the EV...

  3. Characterization of Isomeric Glycans by Reversed Phase Liquid Chromatography-Electronic Excitation Dissociation Tandem Mass Spectrometry

    Science.gov (United States)

    Tang, Yang; Wei, Juan; Costello, Catherine E.; Lin, Cheng

    2018-04-01

    The occurrence of numerous structural isomers in glycans from biological sources presents a severe challenge for structural glycomics. The subtle differences among isomeric structures demand analytical methods that can provide structural details while working efficiently with on-line glycan separation methods. Although liquid chromatography-tandem mass spectrometry (LC-MS/MS) is a powerful tool for mixture analysis, the commonly utilized collision-induced dissociation (CID) method often does not generate a sufficient number of fragments at the MS2 level for comprehensive structural characterization. Here, we studied the electronic excitation dissociation (EED) behaviors of metal-adducted, permethylated glycans, and identified key spectral features that could facilitate both topology and linkage determinations. We developed an EED-based, nanoscale, reversed phase (RP)LC-MS/MS platform, and demonstrated its ability to achieve complete structural elucidation of up to five structural isomers in a single LC-MS/MS analysis. [Figure not available: see fulltext.

  4. Antifungal activity and isomerization of octadecyl p-coumarates from Ipomoea carnea subsp. fistulosa.

    Science.gov (United States)

    Nidiry, Eugene Sebastian J; Ganeshan, Girija; Lokesha, Ankanahalli N

    2011-12-01

    Bioassay monitored HPLC assisted isolation and purification of the chief antifungal fraction of the leaves of Ipomoea carnea subsp. fistulosa (Convulvulaceae) were achieved using Colletotrichum gloeosporioides and Cladosporium cucumerinum as test organisms. The activity of the purified fraction was further confirmed by the dose dependent inhibition of the spore germination of Alternaria alternata and A. porri. The active fraction was identified as a mixture of (E)-octadecyl p-coumarate and (Z)-octadecyl p-coumarate. The two isomers were detected on an HPLC column with substantially different retention times, but once eluted from the column, one form was partly converted to the other in daylight. Conclusive evidence for the structures and their isomerization were obtained from the HPLC behavior, IR, UV, HRESIMS, CIMS and and NMR spectral data. Important 1H NMR and 13C NMR signals could be separately assigned for the isomers using 2D NMR techniques.

  5. 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

  6. Cosmic rays from 1017eV to beyond 1020eV: evidence from the fly's eye experiment and ground arrays.

    Science.gov (United States)

    Sokolsky, P.

    The study of cosmic rays with energies well above the knee (1015eV) of the spectrum has a long history. Beginning with the pioneering work of Linsley and the Volcano Ranch array, followed by the SUGAR, Haverah Park, Yakutsk, Akeno and AGASA array and the Fly's Eye detector, evidence has been steadily accumulating that the spectrum exhibits a change in slope near 10×1018eV. This flattening may indicate that the spectrum in this region is largely extragalactic in origin. If the sources of this spectrum are sufficiently distant, a cut-off due to the interaction of near 1020eV protons with black body photons should be observed. Recent data from the AGASA and Fly's Eye detectors have brought to bear information of spectral shape, composition and anisotropy to this study. In addition to clarifying the nature of the spectral structure, these new results lead to the surprising conclusion that nearby cosmic ray sources must exist that produce particles with energies well in excess of 1020eV. New experiments are being designed which will have the enormous apertures necessary for detecting these very rare events.

  7. Fachagentur Nachwachsende Rohstoffe e.V. Annual report 2011/2012; Fachagentur Nachwachsende Rohstoffe e.V. (FNR). Jahresbericht 2011/2012

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    The annual report of the Fachagentur Nachwachsende Rohstoffe e.V. (Guelzow-Pruezen, Federal Republic of Germany) outlines the cultivation of industrial crops and energy plants in Germany. The organisational structure of the association and its research projects are presented for the fiscal year 2011/2012.

  8. UNITI Bundesverband mittelstaendischer Mineraloelunternehmen e.V.. Annual report 2011/2012; UNITI Bundesverband mittelstaendischer Mineraloelunternehmen e.V.. Jahresbericht 2011/2012

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    The report presents the organisational structure and activities of the UNITI Bundesverband mittelstaendischer Mineraloelunternehmen e.V. (Berlin, Federal Republic of Germany). Above all, topical issues on business in the mineral oil and lubricant sector are discussed. There is an appendix containing data on the production and sales of petroleum products in the Federal Republic of Germany.

  9. Isomerization of butene-1 on rare earth oxides. [Rare earths: La, Nd, Dy

    Energy Technology Data Exchange (ETDEWEB)

    Khodakov, Yu S; Nesterov, V K; Minachev, Kh M [AN SSSR, Moscow. Inst. Organicheskoj Khimii

    1975-09-01

    A study has been made into the isomerization of butene-1 on oxides of rare-earth elements. The dependence of the reaction rate at 20/sup 0/C on the baking temperature of La and Nd oxides have the maximum at 700/sup 0/C. A decrease in the activity of these oxides after bakinq at 800/sup 0/C is observed, as well as during experiments at -30 deq C. In the case of Dy/sub 2/O/sub 3/, the activity at 20/sup 0/C increases gradually with Tsub(bak)=500 to 800/sup 0/C Zeolite 0.57LaNaY exhibits maximum activity at Tsub(bak)=500/sup 0/C Similar data as to the effect of the baking temperature on the catalyst activity were obtained earlier for hydrogenation of ethylene. According to their maximum activity, oxides of rare-earth elements, in the isomerization as well as hydrogenation reactions, can be arranged as follows: La/sub 2/O/sub 3/>Nd/sub 2/O/sub 3/

  10. Dynamics of H+ + CO at E(Lab) = 30 eV.

    Science.gov (United States)

    Stopera, Christopher; Maiti, Buddhadev; Grimes, Thomas V; McLaurin, Patrick M; Morales, Jorge A

    2012-02-07

    The astrophysically relevant system H(+) + CO (v(i) = 0) → H(+) + CO (v(f)) at E(Lab) = 30 eV is studied with the simplest-level electron nuclear dynamics (SLEND) method. This investigation follows previous successful SLEND studies of H(+) + H(2) and H(+) + N(2) at E(Lab) = 30 eV [J. Morales, A. Diz, E. Deumens, and Y. Öhrn, J. Chem. Phys. 103(23), 9968 (1995); C. Stopera, B. Maiti, T. V. Grimes, P. M. McLaurin, and J. A. Morales, J. Chem. Phys. 134(22), 224308 (2011)]. SLEND is a direct, time-dependent, variational, and non-adiabatic method that adopts a classical-mechanics description for the nuclei and a single-determinantal wavefunction for the electrons. A canonical coherent-states (CS) procedure associated with SLEND reconstructs quantum vibrational properties from the SLEND classical dynamics. Present SLEND results include reactivity predictions, snapshots of the electron density evolution, average vibrational energy transfers, rainbow angle predictions, total and vibrationally resolved differential cross sections (DCS), and average vibrational excitation probabilities. SLEND results are compared with available data from experiments and vibrational close-coupling rotational infinite-order sudden (VCC-RIOS) approximation calculations. Present simulations employ four basis sets: STO-3G, 6-31G, 6-31G**, and cc-pVDZ to determine their effect on the results. SLEND simulations predict non-charge-transfer scattering and CO collision-induced dissociation as the main reactions. SLEND/6-31G, /6-31G**, and /cc-pVDZ predict rainbow angles and total DCS in excellent agreement with experiments and more accurate than their VCC-RIOS counterparts. SLEND/6-31G** and /cc-pVDZ predict vibrationally resolved DCS for v(f) = 0-2 in satisfactory experimental agreement, but less accurate than their comparable H(+) + CO VCC-RIOS and H(+) + H(2) and H(+) + N(2) SLEND results. SLEND∕6-31G** and ∕cc-pVDZ predict qualitatively correct average vibrational excitation probabilities

  11. Kaks nooremat luuletajat : Bernard Kangro "Vanad majad" ja Heiti Talviku "Kohtupäev" / Ants Oras

    Index Scriptorium Estoniae

    Oras, Ants

    2004-01-01

    Arvustus: Kangro, Bernard. Vanad majad : luuletusi 1936-37. Tartu : Eesti Kirjanikkude Liit, 1937 ; Talvik, Heiti. Kohtupäev. Tartu : Eesti Kirjanikkude Liit, 1937. Varem ilmunud: Eesti Kirjandus, 1937, nr. 12, lk. 618-622

  12. NANO-BATTERY TECHNOLOGY FOR EV-HEV PANEL: A PIONEERING STUDY

    OpenAIRE

    Ataur Rahman; M. Rashid; A. K. M. Mohiuddin; M. N. A. Hawlader

    2015-01-01

    Global trends toward CO2 reduction and resource efficiency have significantly increased the importance of lightweight materials for automobile original equipment manufacturers (OEM). CO2 reduction is a fundamental driver for a more lightweight automobile. The introduction of Electrical Vehicles (EVs) is one initiative towards this end. However EVs are currently facing several weaknesses: limited driving range, battery pack heaviness, lack of safety and thermal control, high cost, and overall ...

  13. A completive survey study on the feasibility and adaptation of EVs in Beijing, China

    International Nuclear Information System (INIS)

    Sun, Lishan; Huang, Yuchen; Liu, Shuli; Chen, Yanyan; Yao, Liya; Kashyap, Anil

    2017-01-01

    Highlights: • EVs have been greatly developed with a series of encouraging policies. • The maxi mileages and braking performance still needs further improvement. • More residential and public charging piles should be in the plan and design. • APP oriented information of charging station need to be researched and developed. - Abstract: The private motor vehicles are significantly important means of transportation in modern lifestyle, however, these also contribute to a large proportion of the total air pollution and primary energy consumption. In order to develop green transportation system, it becomes imperative to use integrated technologies to achieve reduced emissions and utilize renewable energy. Electric vehicles (EVs) have been considered as one of these technologies to transform the traditional vehicle mix. However, the uptake of EV has been debated on factors like cost, performance (autonomous mileage), charging point infrastructure construction, energy saving, policy and end users’ adaptation. Present study investigates the technology feasibility (which usually refer to EVs’ cost, EV charging, supplier’s customer services quality, EV travel performance) and users’ adaptation of EV in Beijing, which is a key driver for the EV uptake into the Beijing transportation system. The relevant data have been collected and analyzed in the form of questionnaire survey around all of these factors. While considering the user perception and satisfaction, safety of charging and energy bills have also been investigated. According to the data analysis, it has been found the policy of ‘No traffic restrictions for EVs’ (the traffic restrictions means for certain date, from Monday to Friday the motor vehicles with the last register number of 1 and 6, 2 and 7, 3 and 8, 4 and 9, 5 and 0, are restricted to travel, respectively), the availability of the charging infrastructure and technical support are the most significant factors affecting the users

  14. Cultural and morphological properties of the vaccine strain Yersinia pestis EV NIIEG bacteria after photodynamic inactivation

    Science.gov (United States)

    Ulianova, Onega V.; Lyapina, Anna M.; Khizhnyakova, Mariya A.; Laskavy, Vladislav N.; Feodorova, Valentina A.; Ulyanov, Sergey S.

    2015-03-01

    New method of photoinactivation of plague microbes (bacteria Yersinia pestis) has been suggested. Rate of growth of colonies of Y. pestis EV NIIEG at specific regimes of photo processing have been analyzed. Dependence of growth on exposure time and concentrations of photosensitizer (methylene blue) has been studied. Number of colony forming units of Y. pestis EV NIIEG bacteria as a function of intensity of light and concentration of methylene blue has been scrutinized.

  15. Experimental study on EV purchases assisted by multi-agents representing a set of questionnaires

    DEFF Research Database (Denmark)

    Xue, Yusheng; Wu, Juai; Xie, Dongliang

    2014-01-01

    An experimental economics (EE) method is used to analyze the influences of subjective willingness on the development of the electric vehicle (EV) industry. It is difficult to run large-scale EE-based simulations and to support decision optimizations due to the limited number of qualified human...... presented in this paper, the influence of a key factor on the EV development can therefore be analyzed by using a simulation platform with mixed inputs from agents modelled in this paper and human participants....

  16. EV drivetrain inverter with V/HZ optimization

    Science.gov (United States)

    Gritter, David J.; O'Neil, Walter K.

    1986-01-01

    An inverter (34) which provides power to an A.C. machine (28) is controlled by a circuit (36) employing PWM control strategy whereby A.C. power is supplied to the machine at a preselectable frequency and preselectable voltage. This is accomplished by the technique of waveform notching in which the shapes of the notches are varied to determine the average energy content of the overall waveform. Through this arrangement, the operational efficiency of the A.C. machine is optimized. The control circuit includes a micro-computer which calculates optimized machine control data signals from various parametric inputs and during steady state load conditions, seeks a best V/HZ ratio to minimize battery current drawn (system losses) from a D.C. power source (32). In the preferred embodiment, the present invention is incorporated within an electric vehicle (10) employing a 144 VDC battery pack and a three-phase induction motor (18).

  17. Electron capture by multicharged ions at eV energies

    International Nuclear Information System (INIS)

    Havener, C.C.; Huq, M.S.; Meyer, F.W.; Phaneuf, R.A.

    1988-01-01

    A multicharged ion-atom merged-beams apparatus has been used in conjunction with the ORNL-ECR ion source to measure accurate absolute electron-capture cross sections in the energy range from below 1 eV/amu to 1500 eV/amu. Measurements for N/sup 3+,4+,5+/ /plus/ H(D) collisions indicate good agreement with available theoretical calculations. However, measurements with O 5+ /plus/ H(D) show an unexpected low-energy behavior which may be attributable to the ion-induced-dipole attraction between the reactants. Scaled Landau-Zener calculations presented here identify a transfer plus excitation channel which has the correct energy dependence at low energies. This finding suggest the need for a comprehensive coupled channel calculation which would include such product states. 25 refs., 8 figs

  18. Cardiopulmonary Exercise Testing in Fontan Patients With and Without Isomerism (Heterotaxy) as Compared to Patients With Primary Ciliary Dyskinesia and Subjects With Structurally Normal Hearts

    DEFF Research Database (Denmark)

    Loomba, Rohit S; Danduran, Michael; Nielsen, Kim G

    2017-01-01

    with and without isomerism. We have now compared these finding with those from patients with primary ciliary dyskinesia, as many patients with isomerism have ciliary dyskinesia. We identified patients having the Fontan circulation with and without isomerism who had undergone cardiopulmonary exercise testing......, comparing the findings from healthy individuals undergoing exercise, and a comparable number of individuals with primary ciliary dyskinesia but no congenital heart disease. We were able to include a total of 68 patients in our study, with 17 in each of the four groups. Cardiopulmonary exercise testing...

  19. Adopting Strategic Niche Management to Evaluate EV Demonstration Projects in China

    Directory of Open Access Journals (Sweden)

    Yixi Xue

    2016-02-01

    Full Text Available Electric Vehicles (EVs are considered to be a potential viable technology to address the persistent unsustainable problems in transport sector. In this paper, we focus on analyzing the transition processes of EVs in China because the sustainability of developing countries is essential for the worldwide sustainability. The two-round demonstration programs of EVs in China were analyzed by adopting the strategic niche management (SNM approach so as to find out what niche protection has been provided and which obstacles hamper the further development of EVs. The results show that the financial subsidy is the most important protective measure. However, the diffusion results of EVs in different pilot cities are greatly different. The main reason lies in the uneven geographical landscape. In addition, some obstacles were exposed during the niche internal processes including low quality of expectations and poor alignment within the network. Based on the analysis results, we develop a list of suggestions that are important to consider when developing EVs.

  20. Hierarchical Agent-Based Integrated Modelling Approach for Microgrids with Adoption of EVs and HRES

    Directory of Open Access Journals (Sweden)

    Peng Han

    2014-01-01

    Full Text Available The large adoption of electric vehicles (EVs, hybrid renewable energy systems (HRESs, and the increasing of the loads shall bring significant challenges to the microgrid. The methodology to model microgrid with high EVs and HRESs penetrations is the key to EVs adoption assessment and optimized HRESs deployment. However, considering the complex interactions of the microgrid containing massive EVs and HRESs, any previous single modelling approaches are insufficient. Therefore in this paper, the methodology named Hierarchical Agent-based Integrated Modelling Approach (HAIMA is proposed. With the effective integration of the agent-based modelling with other advanced modelling approaches, the proposed approach theoretically contributes to a new microgrid model hierarchically constituted by microgrid management layer, component layer, and event layer. Then the HAIMA further links the key parameters and interconnects them to achieve the interactions of the whole model. Furthermore, HAIMA practically contributes to a comprehensive microgrid operation system, through which the assessment of the proposed model and the impact of the EVs adoption are achieved. Simulations show that the proposed HAIMA methodology will be beneficial for the microgrid study and EV’s operation assessment and shall be further utilized for the energy management, electricity consumption prediction, the EV scheduling control, and HRES deployment optimization.

  1. Clustering of germanium atoms in silica glass responsible for the 3.1 eV emission band studied by optical absorption and X-ray absorption fine structure analysis

    International Nuclear Information System (INIS)

    Yoshida, Tomoko; Muto, Shunsuke; Yuliati, Leny; Yoshida, Hisao; Inada, Yasuhiro

    2009-01-01

    Correlation between the 3.1 eV emission band and local atomic configuration was systematically examined for Ge + implanted silica glass by UV-vis optical absorption spectroscopy and X-ray absorption fine structure (XAFS) analysis. The 2.7 eV emission band, commonly observed in defective silica, was replaced by the sharp and intense 3.1 eV emission band for the Ge + fluence > 2 x 10 16 cm -2 , in which UV-vis absorption spectra suggested clustering of Ge atoms with the size ∼1 nm. XAFS spectroscopy indicated that the Ge atoms were under coordinated with oxygen atoms nearly at a neutral valence state on average. The present results are consistent with the previous ESR study but imply that the small Ge clusters rather than the O=Ge: complexes (point defects) are responsible for the 3.1 eV emission band.

  2. A Mobility Performance Assessment on Plug-in EV Battery

    Directory of Open Access Journals (Sweden)

    Jay Lee

    2012-12-01

    Full Text Available This paper deals with mobility prediction of LiFeMnPO_4 batteries for an emission-free Electric Vehicle. The data-driven model has been developed based on empirical data from two different road types –highway and local streets –and two different driving modes – aggressive and moderate. Battery State of Charge (SoC can be predicted on any new roads based on the trained model by selecting the drving mode. In this paper, the performance of Adaptive Recurrent Neural Network (ARNN and regression is evaluated using two benchmark data sets. The ARNN model at first estimates the speed profile of the new road based on slope and then both slope and speed is going to be used as the input to estimate battery current and SoC. Through comparison it is found that if ARNN system is appropriately trained, it performs with better accuracy than Regression in both two road types and driving modes. The results show that prediction SoC model follows the Columb-counting SoC according to the road slope.

  3. A survey of photoproducts of an irradiated oligodeoxynucleotide by monochromatic photons with the energy ranged from 6.5 to 22.5 eV

    International Nuclear Information System (INIS)

    Ito, Takashi; Saito, Mikio; Taniguchi, Taketoshi

    1987-01-01

    We have irradiated 2'-deoxyadenylyl-(3'-5')-2'-deoxyadenosine (dephospho(dA) 2 ) in solid state with a newly developed synchrotron irradiation system over 6.5 to 22.5 eV photon energy range (190 to 55 nm in wavelength). Densitometric analysis of thin-layer chromatogram of photoproducts indicated that adenine and deoxyadenosine monophosphate were commonly produced above 7.3 eV (170 nm) in approximately equal amount. Deoxyribose was not detected by the fluorescence method with scratched materials from the chromatogram at any location except deoxyadenosine monophosphate and parent oligonucleotide positions. The photoproducts above mentioned were not observed at 6.5 eV (190 nm) even after very high radiation fluence. The energy dependence of this degradation indicates that the shorter the wavelength in use the smaller the fluence it requires. Careful examination of irradiated oligonucleotide on the chromatograms shows that the major portion of deoxyadenosine monophosphate so produced was the 5'phospho derivative. This site-selective degradation, independent of photon energy, seemed to be a remarkable characteristic of vacuum-UV induced effects above 7 eV. It is hypothesised that the deoxypentose moiety was first destroyed in one of the nucleoside residues due to the strong absorption in the sugar-phosphate group, liberating adenine on the one hand and leaving 5'-deoxyadenosine monophosphate. (author)

  4. VUV photoionization of acetamide studied by electron/ion coincidence spectroscopy in the 8–24 eV photon energy range

    International Nuclear Information System (INIS)

    Schwell, Martin; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Es-Sebbar, Et.; Garcia, Gustavo A.; Nahon, Laurent; Champion, Norbert; Leach, Sydney

    2012-01-01

    Highlights: ► We study the VUV photoionization of acetamide in the 8–24 eV photon energy range. ► Electron/ion coincidence measurements are performed using synchrotron radiation. ► The adiabatic ionization energy of acetamide is determined by TPEPICO measurements. ► VUV induced fragmentation pathways of acetamide are assigned and discussed. - Abstract: A VUV photoionization study of acetamide was carried out over the 8–24 eV photon energy range using synchrotron radiation and photoelectron/photoion coincidence (PEPICO) spectroscopy. Threshold photoelectron photoion coincidence (TPEPICO) measurements were also made. Photoion yield curves and branching ratios were measured for the parent ion and six fragment ions. The adiabatic ionization energy of acetamide was determined as I.E. (1 2 A′) = (9.71 ± 0.02) eV, in agreement with an earlier reported photoionization mass spectrometry (PIMS) value. The adiabatic energy of the first excited state of the ion, 1 2 A″, was determined to be ≈10.1 eV. Assignments of the fragment ions and the pathways of their formation by dissociative photoionization were made. The neutral species lost in the principal dissociative photoionization processes are CH 3 , NH 2 , NH 3 , CO, HCCO and NH 2 CO. Heats of formation are derived for all ions detected and are compared with literature values. Some astrophysical implications of these results are discussed.

  5. Electron Resonance Decay into a Biological Function: Decrease in Viability of E. coli Transformed by Plasmid DNA Irradiated with 0.5-18 eV Electrons.

    Science.gov (United States)

    Kouass Sahbani, S; Cloutier, P; Bass, A D; Hunting, D J; Sanche, L

    2015-10-01

    Transient negative ions (TNIs) are ubiquitous in electron-molecule scattering at low electron impact energies (0-20 eV) and are particularly effective in damaging large biomolecules. Because ionizing radiation generates mostly 0-20 eV electrons, TNIs are expected to play important roles in cell mutagenesis and death during radiotherapeutic cancer treatment, although this hypothesis has never been directly verified. Here, we measure the efficiency of transforming E. coli bacteria by inserting into the cells, pGEM-3ZfL(-) plasmid DNA that confers resistance to the antibiotic ampicillin. Before transformation, plasmids are irradiated with electrons of specific energies between 0.5 and 18 eV. The loss of transformation efficiency plotted as a function of irradiation energy reveals TNIs at 5.5 and 9.5 eV, corresponding to similar states observed in the yields of DNA double strand breaks. We show that TNIs are detectable in the electron-energy dependence of a biological process and can decrease cell viability.

  6. Compartmental and noncompartmental modeling of ¹³C-lycopene absorption, isomerization, and distribution kinetics in healthy adults.

    Science.gov (United States)

    Moran, Nancy E; Cichon, Morgan J; Riedl, Kenneth M; Grainger, Elizabeth M; Schwartz, Steven J; Novotny, Janet A; Erdman, John W; Clinton, Steven K

    2015-12-01

    Lycopene, which is a red carotenoid in tomatoes, has been hypothesized to mediate disease-preventive effects associated with tomato consumption. Lycopene is consumed primarily as the all-trans geometric isomer in foods, whereas human plasma and tissues show greater proportions of cis isomers. With the use of compartmental modeling and stable isotope technology, we determined whether endogenous all-trans-to-cis-lycopene isomerization or isomeric-bioavailability differences underlie the greater proportion of lycopene cis isomers in human tissues than in tomato foods. Healthy men (n = 4) and women (n = 4) consumed (13)C-lycopene (10.2 mg; 82% all-trans and 18% cis), and plasma was collected over 28 d. Unlabeled and (13)C-labeled total lycopene and lycopene-isomer plasma concentrations, which were measured with the use of high-performance liquid chromatography-mass spectrometry, were fit to a 7-compartment model. Subjects absorbed a mean ± SEM of 23% ± 6% of the lycopene. The proportion of plasma cis-(13)C-lycopene isomers increased over time, and all-trans had a shorter half-life than that of cis isomers (5.3 ± 0.3 and 8.8 ± 0.6 d, respectively; P lycopene bioavailability and endogenous trans-to-cis-lycopene isomerization was predictive of plasma (13)C and unlabeled cis- and all-trans-lycopene concentrations. Although the bioavailability of cis (24.5% ± 6%) and all-trans (23.2% ± 8%) isomers did not differ, endogenous isomerization (0.97 ± 0.25 μmol/d in the fast-turnover tissue lycopene pool) drove tissue and plasma isomeric profiles. (13)C-Lycopene combined with physiologic compartmental modeling provides a strategy for following complex in vivo metabolic processes in humans and reveals that postabsorptive trans-to-cis-lycopene isomerization, and not the differential bioavailability of isomers, drives tissue and plasma enrichment of cis-lycopene. This trial was registered at clinicaltrials.gov as NCT01692340. © 2015 American Society for Nutrition.

  7. Compartmental and noncompartmental modeling of 13C-lycopene absorption, isomerization, and distribution kinetics in healthy adults123

    Science.gov (United States)

    Moran, Nancy E; Cichon, Morgan J; Riedl, Kenneth M; Grainger, Elizabeth M; Schwartz, Steven J; Novotny, Janet A; Erdman, John W; Clinton, Steven K

    2015-01-01

    Background: Lycopene, which is a red carotenoid in tomatoes, has been hypothesized to mediate disease-preventive effects associated with tomato consumption. Lycopene is consumed primarily as the all-trans geometric isomer in foods, whereas human plasma and tissues show greater proportions of cis isomers. Objective: With the use of compartmental modeling and stable isotope technology, we determined whether endogenous all-trans-to-cis-lycopene isomerization or isomeric-bioavailability differences underlie the greater proportion of lycopene cis isomers in human tissues than in tomato foods. Design: Healthy men (n = 4) and women (n = 4) consumed 13C-lycopene (10.2 mg; 82% all-trans and 18% cis), and plasma was collected over 28 d. Unlabeled and 13C-labeled total lycopene and lycopene-isomer plasma concentrations, which were measured with the use of high-performance liquid chromatography–mass spectrometry, were fit to a 7-compartment model. Results: Subjects absorbed a mean ± SEM of 23% ± 6% of the lycopene. The proportion of plasma cis-13C-lycopene isomers increased over time, and all-trans had a shorter half-life than that of cis isomers (5.3 ± 0.3 and 8.8 ± 0.6 d, respectively; P lycopene bioavailability and endogenous trans-to-cis-lycopene isomerization was predictive of plasma 13C and unlabeled cis- and all-trans-lycopene concentrations. Although the bioavailability of cis (24.5% ± 6%) and all-trans (23.2% ± 8%) isomers did not differ, endogenous isomerization (0.97 ± 0.25 μmol/d in the fast-turnover tissue lycopene pool) drove tissue and plasma isomeric profiles. Conclusion: 13C-Lycopene combined with physiologic compartmental modeling provides a strategy for following complex in vivo metabolic processes in humans and reveals that postabsorptive trans-to-cis-lycopene isomerization, and not the differential bioavailability of isomers, drives tissue and plasma enrichment of cis-lycopene. This trial was registered at clinicaltrials.gov as NCT01692340. PMID

  8. 0.1–2000 eV electron impact cross sections for dichlorine monoxide

    Energy Technology Data Exchange (ETDEWEB)

    Goswami, Biplab; Gupta, Dhanoj; Antony, Bobby, E-mail: bka.ism@gmail.com

    2014-03-01

    Highlights: • Quantum mechanical models were used to find TCS for e-Cl{sub 2}O from 0.1 to 2000 eV. • R-matrix method at low energies (<13 eV) and SCOP at high energies (13–2000 eV). • Besides TCS, DCS, excitation cross section and momentum transfer CS also predicted. • R-matrix method identifies resonances with a possibility of DEA formation. • Resonance detected at 1.88 eV is associated with Cl{sub 2}O{sup −} anion formation. - Abstract: Scattering dynamics of dichlorine monoxide (Cl{sub 2}O) molecule by electron impact is investigated as a function of electron energy and scattering angle. Electron impact total cross sections for Cl{sub 2}O over an extensive range of impact energies from 0.1 to 2000 eV are reported in this article. Below the ionization threshold of the target, the ab initio R-matrix method and above this incident energy spherical complex optical potential formalism are used for cross section calculation. The total cross section obtained from both theories merges smoothly at the overlapping energy. The resonances obtained using DZP basis sets are located at 1.883, 3.592, 5.205 and 7.326, 8.206, 8.301, 8.452, 9.369 eV and that with 6-31G* basis sets are identified at 1.944, 3.566, 5.183, 5.261, 5.658, 8.738 and 9.187 eV with the possibility of negative ions formation. This is the first attempt to calculate the differential, and momentum transfer cross sections for Cl{sub 2}O molecule.

  9. Elastic electron differential cross sections for argon atom in the intermediate energy range from 40 eV to 300 eV

    Science.gov (United States)

    Ranković, Miloš Lj.; Maljković, Jelena B.; Tökési, Károly; Marinković, Bratislav P.

    2018-02-01

    Measurements and calculations for electron elastic differential cross sections (DCS) of argon atom in the energy range from 40 to 300 eV are presented. DCS have been measured in the crossed beam arrangement of the electron spectrometer with an energy resolution of 0.5 eV and angular resolution of 1.5∘ in the range of scattering angles from 20∘ to 126∘. Both angular behaviour and energy dependence of DCS are obtained in a separate sets of experiments, while the absolute scale is achieved via relative flow method, using helium as a reference gas. All data is corrected for the energy transmission function, changes of primary electron beam current and target pressure, and effective path length (volume correction). DCSs are calculated in relativistic framework by expressing the Mott's cross sections in partial wave expansion. Our results are compared with other available data.

  10. X-ray grating spectrometer for opacity measurements in the 50 eV to 250 eV spectral range at the LULI 2000 laser facility.

    Science.gov (United States)

    Reverdin, Charles; Thais, Frédéric; Loisel, Guillaume; Busquet, M; Bastiani-Ceccotti, S; Blenski, T; Caillaud, T; Ducret, J E; Foelsner, W; Gilles, D; Gilleron, F; Pain, J C; Poirier, M; Serres, F; Silvert, V; Soullie, G; Turck-Chieze, S; Villette, B

    2012-10-01

    An x-ray grating spectrometer was built in order to measure opacities in the 50 eV to 250 eV spectral range with an average spectral resolution ∼ 50. It has been used at the LULI-2000 laser facility at École Polytechnique (France) to measure the Δn = 0, n = 3 transitions of several elements with neighboring atomic number: Cr, Fe, Ni, and Cu in the same experimental conditions. Hence a spectrometer with a wide spectral range is required. This spectrometer features one line of sight looking through a heated sample at backlighter emission. It is outfitted with one toroidal condensing mirror and several flat mirrors cutting off higher energy photons. The spectral dispersion is obtained with a flatfield grating. Detection consists of a streak camera sensitive to soft x-ray radiation. Some experimental results showing the performance of this spectrometer are presented.

  11. X-ray grating spectrometer for opacity measurements in the 50 eV to 250 eV spectral range at the LULI 2000 laser facility

    International Nuclear Information System (INIS)

    Reverdin, Charles; Caillaud, T.; Gilleron, F.; Pain, J. C.; Silvert, V.; Soullie, G.; Villette, B.; Thais, Frédéric; Loisel, Guillaume; Blenski, T.; Poirier, M.; Busquet, M.; Bastiani-Ceccotti, S.; Serres, F.; Ducret, J. E.; Foelsner, W.; Gilles, D.; Turck-Chieze, S.

    2012-01-01

    An x-ray grating spectrometer was built in order to measure opacities in the 50 eV to 250 eV spectral range with an average spectral resolution ∼ 50. It has been used at the LULI-2000 laser facility at École Polytechnique (France) to measure the Δn = 0, n = 3 transitions of several elements with neighboring atomic number: Cr, Fe, Ni, and Cu in the same experimental conditions. Hence a spectrometer with a wide spectral range is required. This spectrometer features one line of sight looking through a heated sample at backlighter emission. It is outfitted with one toroidal condensing mirror and several flat mirrors cutting off higher energy photons. The spectral dispersion is obtained with a flatfield grating. Detection consists of a streak camera sensitive to soft x-ray radiation. Some experimental results showing the performance of this spectrometer are presented.

  12. Circular intensity differential scattering (CIDS) measurements in the soft x-ray region of the spectrum (∼16 eV to 500 eV)

    International Nuclear Information System (INIS)

    Maestre, M.F.; Bustamante, C.; Snyder, P.; Rowe, E.; Hansen, R.

    1991-03-01

    We propose the use of recently developed techniques of circular intensity differential scattering (CIDS), as extended to the soft x-ray region of the spectrum (16 eV to 500 eV), to study the higher order organization of the eukaryotic chromosome. CIDS is the difference in scattering power of an object when illuminated by right circularly polarized vs. left circularly polarized electromagnetic radiation of arbitrary wavelength. CIDS has been shown to be a very sensitive measure of the helical organization of the scattering object eg. the eukaryotic chromosome. Preliminary results of measurements of samples of bacteriophages and octopus sperm done at SRC, Wisconsin, show the technique to be very sensitive to the dimensional parameters of the particles interrogated by circularly polarized light. 7 refs., 5 figs

  13. X-ray grating spectrometer for opacity measurements in the 50 eV to 250 eV spectral range at the LULI 2000 laser facility

    Energy Technology Data Exchange (ETDEWEB)

    Reverdin, Charles; Caillaud, T.; Gilleron, F.; Pain, J. C.; Silvert, V.; Soullie, G.; Villette, B. [CEA, DAM, DIF, 91297 Arpajon (France); Thais, Frederic; Loisel, Guillaume; Blenski, T.; Poirier, M. [CEA, DSM, IRAMIS, Service Photons, Atomes et Molecules, 91191 Gif-sur-Yvette (France); Busquet, M. [ARTEP Inc, Ellicott City, Maryland 21042 (United States); Bastiani-Ceccotti, S.; Serres, F. [LULI, Ecole Polytechnique, CNRS, CEA, UPMC, route de Saclay, 91128 Palaiseau (France); Ducret, J. E. [CELIA, UMR5107, CEA, CNRS, Universite de Bordeaux, 33400 Talence (France); Foelsner, W. [Max Planck Instituet fuer Quantum Optik, 85748 Garching (Germany); Gilles, D.; Turck-Chieze, S. [CEA, DSM, IRFU, Service d' astrophysique, 91191 Gif-sur-Yvette (France)

    2012-10-15

    An x-ray grating spectrometer was built in order to measure opacities in the 50 eV to 250 eV spectral range with an average spectral resolution {approx} 50. It has been used at the LULI-2000 laser facility at Ecole Polytechnique (France) to measure the {Delta}n = 0, n = 3 transitions of several elements with neighboring atomic number: Cr, Fe, Ni, and Cu in the same experimental conditions. Hence a spectrometer with a wide spectral range is required. This spectrometer features one line of sight looking through a heated sample at backlighter emission. It is outfitted with one toroidal condensing mirror and several flat mirrors cutting off higher energy photons. The spectral dispersion is obtained with a flatfield grating. Detection consists of a streak camera sensitive to soft x-ray radiation. Some experimental results showing the performance of this spectrometer are presented.

  14. Photo-double ionisation of the Ne 2s studied in equal-energy-sharing condition at 20 eV above threshold

    Energy Technology Data Exchange (ETDEWEB)

    Bolognesi, P. [CNR-IMIP, Area della Ricerca di Roma 1, CP10, 00016 Monterotondo Scalo (Italy); Otranto, S. [CONICET and Depto. de Fisica, Universidad Nacional del Sur, 8000 Bahia Blanca (Argentina); Garibotti, C.R. [CONICET and Centro Atomico Bariloche, 8400 S.C. de Bariloche (Argentina); Flammini, R. [CNR-IMIP, Area della Ricerca di Roma 1, CP10, 00016 Monterotondo Scalo (Italy); Alberti, G. [CNR-IMIP, Area della Ricerca di Roma 1, CP10, 00016 Monterotondo Scalo (Italy); Avaldi, L. [CNR-IMIP, Area della Ricerca di Roma 1, CP10, 00016 Monterotondo Scalo (Italy)]. E-mail: lorenzo.avaldi@imip.cnr.it

    2005-06-15

    The triple differential cross-section (TDCS) for the photo-double ionisation of Ne leading to the Ne{sup 2+}(2s{sup -2}2p{sup 6}) has been measured 20 eV above threshold in equal-energy-sharing conditions. The results are compared with the recently introduced SC3 model, which can be used to study targets different from He since it allows an easy implementation with different initial-state wavefunctions.

  15. Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path.

    Science.gov (United States)

    Varandas, A J C

    2011-05-28

    The minimum energy path for isomerization of HO(3) has been explored in detail using accurate high-level ab initio methods and techniques for extrapolation to the complete basis set limit. In agreement with other reports, the best estimates from both valence-only and all-electron single-reference methods here utilized predict the minimum of the cis-HO(3) isomer to be deeper than the trans-HO(3) one. They also show that the energy varies by less than 1 kcal mol(-1) or so over the full isomerization path. A similar result is found from valence-only multireference configuration interaction calculations with the size-extensive Davidson correction and a correlation consistent triple-zeta basis, which predict the energy difference between the two isomers to be of only Δ = -0.1 kcal mol(-1). However, single-point multireference calculations carried out at the optimum triple-zeta geometry with basis sets of the correlation consistent family but cardinal numbers up to X = 6 lead upon a dual-level extrapolation to the complete basis set limit of Δ = (0.12 ± 0.05) kcal mol(-1). In turn, extrapolations with the all-electron single-reference coupled-cluster method including the perturbative triples correction yield values of Δ = -0.19 and -0.03 kcal mol(-1) when done from triple-quadruple and quadruple-quintuple zeta pairs with two basis sets of increasing quality, namely cc-cpVXZ and aug-cc-pVXZ. Yet, if added a value of 0.25 kcal mol(-1) that accounts for the effect of triple and perturbative quadruple excitations with the VTZ basis set, one obtains a coupled cluster estimate of Δ = (0.14 ± 0.08) kcal mol(-1). It is then shown for the first time from systematic ab initio calculations that the trans-HO(3) isomer is more stable than the cis one, in agreement with the available experimental evidence. Inclusion of the best reported zero-point energy difference (0.382 kcal mol(-1)) from multireference configuration interaction calculations enhances further the relative

  16. Production cross sections and isomeric ratios for sup(110m)In/sup(110g)In formed in Cd (d,xn) reactions

    International Nuclear Information System (INIS)

    Herreros Usher, Oscar; Maceiras de Jefimowicz, Elena; De la Vega Vedoya, Mario; Jorge Nassiff, Sonia

    1980-01-01

    Excitation functions and isomeric cross sections ratios have been measured for the 110 Cd (d,2n) and 111 Cd (d,3n) reactions in which the isomeric pair sup(110m)In/sup(110g)In is produced. Activation method was employed and the irradiations were performed at the synchrocyclotron of the Comision Nacional de Energia Atomica, Argentina, with an incident energy of 27.MeV. (author) [es

  17. Evidence for tunneling in base-catalyzed isomerization of glyceraldehyde to dihydroxyacetone by hydride shift under formose conditions.

    Science.gov (United States)

    Cheng, Liang; Doubleday, Charles; Breslow, Ronald

    2015-04-07

    Hydrogen atom transfer reactions between the aldose and ketose are key mechanistic features in formose chemistry by which formaldehyde is converted to higher sugars under credible prebiotic conditions. For one of these transformations, we have investigated whether hydrogen tunneling makes a significant contribution to the mechanism by examining the deuterium kinetic isotope effect associated with the hydrogen transfer during the isomerization of glyceraldehyde to the corresponding dihydroxyacetone. To do this, we developed a quantitative HPLC assay that allowed us to measure the apparent large intrinsic kinetic isotope effect. From the Arrhenius plot of the kinetic isotope effect, the ratio of the preexponential factors AH/AD was 0.28 and the difference in activation energies Ea(D) - Ea(H) was 9.1 kJ·mol(-1). All these results imply a significant quantum-mechanical tunneling component in the isomerization mechanism. This is supported by multidimensional tunneling calculations using POLYRATE with small curvature tunneling.

  18. EV car sharing/rental pilot project in Kyoto : an outline of the project

    Energy Technology Data Exchange (ETDEWEB)

    Kitamura, R. [Kyoto Univ., (Japan). Dept. of Civil Engineering Systems; Masunaga, K. [Japan Electric Vehicle Association, Minato, Tokyo (Japan)

    2000-07-01

    This paper presented a demonstration project in the City of Kyoto, Japan, which is aimed at determining if a Public Car System is an economically viable option for the twenty first century. The Kyoto electric vehicle (EV) car sharing project comprises advanced systems for EV reservation, check-out and return, and fleet operation and management. The most unique feature of this project is that it utilizes the ever expanding Internet and advanced mobile phones with Internet capabilities. Initially, 35 two-seater EVs will be shared by employees and visitors for business-related trips on weekdays and by tourists on weekends. The car sharing will be only short-term for only a single trip. The EV can be checked out and returned to any service depot located at railroad stations, major business centers and tourist attractions for user convenience. The ultimate goal of the project is to promote energy and resource conservation while providing adequate levels of mobility for people. Converting existing fleets to EVs which produce no exhaust gases is considered to be a viable solution to the problem of air pollution caused by traffic jams. tabs., figs.

  19. Transactive Demand Side Management Programs in Smart Grids with High Penetration of EVs

    Directory of Open Access Journals (Sweden)

    Poria Hasanpor Divshali

    2017-10-01

    Full Text Available Due to environmental concerns, economic issues, and emerging new loads, such as electrical vehicles (EVs, the importance of demand side management (DSM programs has increased in recent years. DSM programs using a dynamic real-time pricing (RTP method can help to adaptively control the electricity consumption. However, the existing RTP methods, particularly when they consider the EVs and the power system constraints, have many limitations, such as computational complexity and the need for centralized control. Therefore, a new transactive DSM program is proposed in this paper using an imperfect competition model with high EV penetration levels. In particular, a heuristic two-stage iterative method, considering the influence of decisions made independently by customers to minimize their own costs, is developed to find the market equilibrium quickly in a distributed manner. Simulations in the IEEE 37-bus system with 1141 customers and 670 EVs are performed to demonstrate the effectiveness of the proposed method. The results show that the proposed method can better manage the EVs and elastic appliances than the existing methods in terms of power constraints and cost. Also, the proposed method can solve the optimization problem quick enough to run in real-time.

  20. Changes in the EV-A71 Genome through Recombination and Spontaneous Mutations: Impact on Virulence

    Directory of Open Access Journals (Sweden)

    Madiiha Bibi Mandary

    2018-06-01

    Full Text Available Enterovirus 71 (EV-A71 is a major etiological agent of hand, foot and mouth disease (HFMD that mainly affects young children less than five years old. The onset of severe HFMD is due to neurological complications bringing about acute flaccid paralysis and pulmonary oedema. In this review, we address how genetic events such as recombination and spontaneous mutations could change the genomic organization of EV-A71, leading to an impact on viral virulence. An understanding of the recombination mechanism of the poliovirus and non-polio enteroviruses will provide further evidence of the emergence of novel strains responsible for fatal HFMD outbreaks. We aim to see if the virulence of EV-A71 is contributed solely by the presence of fatal strains or is due to the co-operation of quasispecies within a viral population. The phenomenon of quasispecies within the poliovirus is discussed to reflect viral fitness, virulence and its implications for EV-A71. Ultimately, this review gives an insight into the evolution patterns of EV-A71 by looking into its recombination history and how spontaneous mutations would affect its virulence.

  1. Caspase-3 Inhibition Attenuates the Cytopathic Effects of EV71 Infection

    Directory of Open Access Journals (Sweden)

    Fengmei Song

    2018-04-01

    Full Text Available Previous studies demonstrate that human enterovirus 71 (EV71, a primary causative agent for hand, foot, and mouth disease, activates caspase-3 through the non-structural viral 3C protein to induce host cell apoptosis; however, until now it was unclear how 3C activates caspase-3 and how caspase-3 activation affects viral production. Our results demonstrate that 3C binds caspase-8 and caspase-9 but does not directly bind caspase-3 to activate them, and that the proteolytic activity of 3C is required by the activation of caspase-8, caspase-9, and caspase-3. Inhibition of caspase-3 activity attenuates apoptosis in 3C-transfected cells. Furthermore, caspase-3 inhibitor protects host cells from the cytopathic effect of EV71 infection and prevents cell cycle arrest, which is known to be favored for EV71 viral replication. Inhibition of caspase-3 activity decreases EV71 viral protein expression and viral production, but has no effect on viral entry, replication, even polyprotein translation. Therefore, caspase-3 is exploited functionally by EV71 to facilitate its production, which suggests a novel therapeutic approach for the treatment and prevention of hand, foot, and mouth disease.

  2. Thiyl radical-induced cis-trans-isomerization of arachidonic acid inhibits prostaglandin metabolism

    International Nuclear Information System (INIS)

    Kratzsch, S.; Droessler, K.; Sprinz, H.; Brede, O.

    2002-01-01

    Complete text of publication follows. Thiyl radicals radiolytically generated from thiophenol in methanolic solution are known to isomerise double bonds of poly-unsaturated fatty acids (PUFA). γ-irradiating of such a system containing all-cis 5,8,11,14 eicosatetraenoic acid (arachidonic acid, AA) with low doses (0.1-0.8 kGy) results in a mixture of 8 to 32% mono-trans-isomers. Here we report about the influence of mono-trans-AA on the primary steps of AA-metabolism and prostaglandin synthesis, catalysed by cyclooxygenase (COX). In the cell-free model system the reaction of COX-1 with AA was analysed by controlling the oxygen level during the enzymatic reaction. As an example, a mixture of a low quantity of mono-trans-isomerized AA (10%) and 90% all-cis-isomer exhibits a marked reduced oxygen consumption by 45%. As further proofs - the yield of reactive oxygen species (ROS) generated by the COX-coupled peroxidase reaction was detected, - and the COX-1 activity in presence of different amounts of trans-AA was characterized using a photometric assay based on the oxidation of TMPD. All these methods indicated semiquantitatively a reduced activity of COX-1, depending on the trans-isomer yield. Therefore, an inhibition of COX-1 activity by only one trans-double-bond in AA could be concluded. Furthermore, in vitro cell-line experiments were performed analysing the influence of mono-trans-isomerized AA on the activity of the cell-own COX-2. Hence, VD 3 -differentiated and LPS-stimulated monocyte-like cells were incubated with mono-trans-AA and ROS-production was detected by the chemiluminescence measurements mentioned above. Compared to the reaction with all-cis-AA we found a considerable lowered formation of ROS. Likewise, we obtained a reduced PGE 2 -expression between 15 and 40% for cells treated with 8 to 29% trans-AA. The model as well as in vivo experiments demonstrate an inhibition effect of mono-trans-AA and give rise for postulating an enzyme blocking mechanism

  3. Activation cross section and isomeric cross-section ratio for the (n,2n) reaction on {sup 132,134}Ba

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Junhua [Hexi Univ., Zhangye (China). School of Physics and Electromechanical Engineering; Hexi Univ., Zhangye (China). Inst. of New Energy; Wu, Chunlei; Jiang, Li [Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Nuclear Physics and Chemistry; Li, Suyuan [Hexi Univ., Zhangye (China). Inst. of New Energy

    2017-07-01

    Cross sections of the {sup 132}Ba(n,2n){sup 131m,g}Ba and {sup 134}Ba(n,2n){sup 133m,g}Ba reactions and their isomeric cross section ratios σ{sub m}/σ{sub g} have been measured by means of the activation technique at three neutron energies in the range 13-15 MeV. BaCO{sub 3} samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The quasimonoenergetic neutrons beam were produced via the {sup 3}H(d,n){sup 4}He reaction at the Pd-300 Neutron Generator of the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ ray spectroscopy. The pure cross section of the ground-state was derived from the absolute cross section of the metastable state and the residual nuclear decay analysis. Cross sections were also evaluated theoretically using the numerical nuclear model code, TALYS-1.8 with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

  4. The evolution of Vp1 gene in enterovirus C species sub-group that contains types CVA-21, CVA-24, EV-C95, EV-C96 and EV-C99.

    Directory of Open Access Journals (Sweden)

    Teemu Smura

    Full Text Available Genus Enterovirus (Family Picornaviridae, consists of twelve species divided into genetically diverse types by their capsid protein VP1 coding sequences. Each enterovirus type can further be divided into intra-typic sub-clusters (genotypes. The aim of this study was to elucidate what leads to the emergence of novel enterovirus clades (types and genotypes. An evolutionary analysis was conducted for a sub-group of Enterovirus C species that contains types Coxsackievirus A21 (CVA-21, CVA-24, Enterovirus C95 (EV-C95, EV-C96 and EV-C99. VP1 gene datasets were collected and analysed to infer the phylogeny, rate of evolution, nucleotide and amino acid substitution patterns and signs of selection. In VP1 coding gene, high intra-typic sequence diversities and robust grouping into distinct genotypes within each type were detected. Within each type the majority of nucleotide substitutions were synonymous and the non-synonymous substitutions tended to cluster in distinct highly polymorphic sites. Signs of positive selection were detected in some of these highly polymorphic sites, while strong negative selection was indicated in most of the codons. Despite robust clustering to intra-typic genotypes, only few genotype-specific 'signature' amino acids were detected. In contrast, when different enterovirus types were compared, there was a clear tendency towards fixation of type-specific 'signature' amino acids. The results suggest that permanent fixation of type-specific amino acids is a hallmark associated with evolution of different enterovirus types, whereas neutral evolution and/or (frequency-dependent positive selection in few highly polymorphic amino acid sites are the dominant forms of evolution when strains within an enterovirus type are compared.

  5. Biosynthesis of monoterpenes: Stereochemistry of the coupled isomerization and cyclization of geranyl pyrophosphate to camphane and isocamphane monoterpenes

    International Nuclear Information System (INIS)

    Croteau, R.; Gershenzon, J.; Wheeler, C.J.; Satterwhite, D.M.

    1990-01-01

    The conversion of geranyl pyrophosphate to (+)-bornyl pyrophosphate and (+)-camphene is considered to proceed by the initial isomerization of the substrate to (-)-(3R)-linalyl pyrophosphate and the subsequent cyclization of this bound intermediate. In the case of (-)-bornyl pyrophosphate and (-)-camphene, isomerization of the substrate to the (+)-(3S)-linalyl intermediate precedes cyclization. The geranyl and linalyl precursors were shown to be mutually competitive substrates (inhibitors) of the relevant cyclization enzymes isolated from Salvia officinalis (sage) and Tanacetum vulgare (tansy) by the mixed substrate analysis method, demonstrating that isomerization and cyclization take place at the same active site. Incubation of partially purified enzyme preparations with (3R)-[1Z-3H]linalyl pyrophosphate plus [1-14C]geranyl pyrophosphate gave rise to double-labeled (+)-bornyl pyrophosphate and (+)-camphene, whereas incubation of enzyme preparations catalyzing the antipodal cyclizations with (3S)-[1Z-3H]-linalyl pyrophosphate plus [1-14C]geranyl pyrophosphate yielded double-labeled (-)-bornyl pyrophosphate and (-)-camphene. Each product was then transformed to the corresponding (+)- or (-)-camphor without change in the 3H:14C isotope ratio, and the location of the tritium label was deduced in each case by stereoselective, base-catalyzed exchange of the exo-alpha-hydrogen of the derived ketone. The finding that the 1Z-3H of the linalyl precursor was positioned at the endo-alpha-hydrogen of the corresponding camphor in all cases, coupled to the previously demonstrated retention of configuration at C1 of the geranyl substrate in these transformations, confirmed the syn-isomerization of geranyl pyrophosphate to linalyl pyrophosphate and the cyclization of the latter via the anti,endo- conformer

  6. Comparison of Separation of Seed Oil Triglycerides Containing Isomeric Conjugated Octadecatrienoic Acid Moieties by Reversed-Phase HPLC

    OpenAIRE

    Anh Van Nguyen; Victor Deineka; Lumila Deineka; Anh Vu Thi Ngoc

    2017-01-01

    Relative retention analysis and increment approach were applied for the comparison of triglycerides (TGs) retention of a broad set of plant seed oils with isomeric conjugated octadecatrienoic acids (CLnA) by reversed-phase HPLC for “propanol-2-acetonitrile” mobile phases and Kromasil 100-5C18 stationary phase with diode array detection (DAD) and mass spectrometric (MS) detection. The subjects of investigation were TGs of seed oils: Calendula officinalis, Catalpa ovata, Jacaranda mimosifolia, ...

  7. Stability constants of mixed ligand complexes of dioxouranium(II) and thorium(IV) with complexones and isomeric alanines

    International Nuclear Information System (INIS)

    Singh, R.K.; Saxena, M.C.

    1992-01-01

    The present work reports on the stability sequence between UO 2 II and Th IV ions for their mixed ligands complexes with the two isomeric alanines, α-alanine (α-ala) and β-alanine (β-ala) containing a complexone as primary ligand. The complexones used are iminodiacetate (IMDA), nitrilotricetate (NTA), 2-hydroxyethylenediaminetriacetate (HEDTA), ethylenediaminetetraacetate (EDTA), 1,2-diaminocyclohexanetraacetate (CDTA) and diethylenetriminepentaacetate (DTPA). (author). 9 refs., 1 tab

  8. Hydro-isomerization of n-hexane on bi-functional catalyst: Effect of total and hydrogen partial pressures

    Science.gov (United States)

    Thoa, Dao Thi Kim; Loc, Luu Cam

    2017-09-01

    The effect of both total pressure and hydrogen partial pressure during n-hexane hydro-isomerization over platinum impregnated on HZSM-5 was studied. n-Hexane hydro-isomerization was conducted at atmospheric pressure and 0.7 MPa to observe the influence of total pressure. In order to see the effect of hydrogen partial pressure, the reaction was taken place at different partial pressure of hydrogen varied from 307 hPa to 718 hPa by dilution with nitrogen to keep the total pressure at 0.1 MPa. Physico-chemical characteristics of catalyst were determined by the methods of nitrogen physi-sorption BET, SEM, XRD, TEM, NH3-TPD, TPR, and Hydrogen Pulse Chemi-sorption. Activity of catalyst in the hydro-isomerization of n-hexane was studied in a micro-flow reactor in the temperature range of 225-325 °C; the molar ratio H2/ hydrocarbon: 5.92, concentration of n-hexane: 9.2 mol.%, GHSV 2698 h-1. The obtained catalyst expressed high acid density, good reducing property, high metal dispersion, and good balance between metallic and acidic sites. It is excellent contact for n-hexane hydro-isomerization. At 250 °C, n-hexane conversion and selectivity were as high as 59-76 % and 85-99 %, respectively. It was found that catalytic activity was promoted either by total pressure or hydrogen partial pressure. At total pressure of 0.7 MPa while hydrogen partial pressure of 718 hPa, catalyst produced 63 RON liquid product containing friendly environmental iso-paraffins which is superior blending stock for green gasoline. Hydrogen did not only preserve catalyst actives by depressing hydrocracking and removing coke precursors but also facilitated hydride transfer step in the bi-functional bi-molecular mechanism.

  9. Specific racemization and isomerization of the aspartyl residue of αA-crystallin due to UV-B irradiation

    International Nuclear Information System (INIS)

    Fujii, Noriko; Momose, Yuko; Ishibasi, Yoshihiro; Uemura, Toshimasa; Takita, Masatoshi; Takehana, Makoto

    1997-01-01

    We have reported that the aspartyl (Asp)-151 residue in αA-crystallin in human eye lens was inverted to the D-isomer and isomerized to β-Asp residue with age. We report here that ultraviolet (UV)-B irradiation induces the racemization and isomerization of the Asp-151 residue of αA-crystallin from lenses of 6-week-old rats to form D-isomer and β-Asp residue. Simultaneous racemization and isomerization of the specific Asp residue indicate that the reaction proceeds via formation of a succinimide intermediate. This modification was not observed in UV-A irradiated and normal lenses. UV-B irradiation induced the racemization of only the Asp-151 residue and did not affect the other Asp residues in αA-crystallin. On the other hand, the high molecular weight fraction of the lens protein increased upon UV-B irradiation. Modification of the Asp residue would affect the three-dimensional packing array of the lens protein. (author)

  10. Isomeric ratios in photonuclear reactions of molybdenum isotopes induced by bremsstrahlung in the giant dipole resonance region

    International Nuclear Information System (INIS)

    Tran Duc Thiep; Truong Thi An; Phan Viet Cuong; Nguyen The Vinh; Bui Minh Hue; Belov, A.G.; Maslov, O.D.; Mishinsky, G.V.; Zhemenik, V.I.

    2017-01-01

    We have determined the isomeric ratios of isomeric pairs "9"7"m","gNb, "9"5"m","gNb and "9"1"m","gMo produced in "9"8Mo(γ, p)"9"7"m","gNb, "9"6Mo(γ, p)"9"5"m","gNb and "9"2Mo(γ, n)"9"1"m","gMo photonuclear reactions in the giant dipole resonance (GDR) region by the activation method. The results were analyzed, discussed and compared with the similar data from literature to examine the role of excitation energy, neutron configuration, channel effect, and direct and pre-equilibrium processes in (γ, p) photonuclear reactions. In this work the isomeric ratios for "9"7"m","gNb from 14 to 19 MeV, for "1"9"5"m","gNb from 14 to 24 MeV except 20 and 23.5 MeV and for "9"1"m","gMo at 14 and 15 MeV were first measured.

  11. Multiple scattering mechanisms causing interference effects in the differential cross sections of H + D{sub 2} → HD(v′ = 4,  j′) + D at 3.26 eV collision energy

    Energy Technology Data Exchange (ETDEWEB)

    Sneha, Mahima; Gao, Hong; Zare, Richard N., E-mail: zare@stanford.edu, E-mail: aoiz@quim.ucm.es [Department of Chemistry, Stanford University, Stanford, California 94305 (United States); Jambrina, P. G.; Menéndez, M.; Aoiz, F. J., E-mail: zare@stanford.edu, E-mail: aoiz@quim.ucm.es [Departamento de Quimica Fisica I, Facultad de Quimica, Universidad Complutense de Madrid, Madrid 28040 (Spain)

    2016-07-14

    Differential cross sections (DCSs) for the H + D{sub 2} → HD(v′ = 4,  j′) + D reaction at 3.26 eV collision energy have been measured using the photoloc technique, and the results have been compared with those from quantum and quasiclassical scattering calculations. The quantum mechanical DCSs are in good overall agreement with the experimental measurements. In common with previous results at 1.97 eV, clear interference patterns which appear as fingerlike structures have been found at 3.26 eV but in this case for vibrational states as high as v′ = 4. The oscillatory structure is prominent for low rotational states and progressively disappears as j′ increases. A detailed analysis, similar to that carried out at 1.97 eV, shows that the origin of these structures could be traced to interferences between well defined classical mechanisms. In addition, at this energy, we do not observe the anomalous positive j′–θ trend found for the v′ = 4 manifold at lower collision energies, thus reinforcing our explanation that the anomalous distribution for HD(v′ = 4,  j′) at 1.97 eV only takes place for those states associated with low product recoil energies.

  12. Extreme Ultraviolet Emission Spectrum of CO_2 Induced by Electron Impact at 200 eV

    Science.gov (United States)

    Kanik, I.; Ajello, J. M.; James, G. K.

    1993-01-01

    We present the extreme ultraviolet (EUV) emission spectrum of CO_2 induced by electronimpact at 200 eV. There are 36 spectral features which are identified with a resolution of 0.5 nmover the wavelength range of 40 to 125 nm. Absolute emission cross sections were obtained for eachof these features. The EUV emission spectrum induced by electron impact consist of atomicmultiplets of CI,II and OI,II,III as well as CO and CO^+ molecular band systems produced bydissociative excitation. The CI (119.4 nm) multiplet is the strongest feature of CI with a peak crosssection of 3.61 x 10^(-19) cm^2 at 200 eV. The strongest feature of OI in the EUV spectrum is theOI (99.0 nm) multiplet with a peak cross section of 3.59 x 10^(-19) cm^2 at 200 eV.

  13. NANO-BATTERY TECHNOLOGY FOR EV-HEV PANEL: A PIONEERING STUDY

    Directory of Open Access Journals (Sweden)

    Ataur Rahman

    2015-11-01

    Full Text Available Global trends toward CO2 reduction and resource efficiency have significantly increased the importance of lightweight materials for automobile original equipment manufacturers (OEM. CO2 reduction is a fundamental driver for a more lightweight automobile. The introduction of Electrical Vehicles (EVs is one initiative towards this end. However EVs are currently facing several weaknesses: limited driving range, battery pack heaviness, lack of safety and thermal control, high cost, and overall limited efficiency. This study presents a panel-style nano-battery technology built into an EV with CuO filler solid polymer electrolyte (SPE sandwiched by carbon fiber (CF and lithium (Li plate. In addition to this, an aluminum laminated polypropylene film is used as the electromagnetic compatibility (EMC shield. The proposed battery body panel of the EV would reduce the car weight by about 20%, with a charge and discharge capacity of 1.5 kWh (10% of car total power requirement, and provide the heat insulation for the car which would save about 10% power consumption of the air conditioning system. Therefore, the EV would be benefited by 30% in terms of energy reduction by using the proposed body. Furthermore, the proposed body is considered environmental-friendly since it is recyclable for use in a new product. However, the main limiting factors of the SPE are its thermal behavior and moderate ionic conductivity at low temperatures. The SPE temperature is maintained by controlling the battery panel charging/discharge rate. It is expected that the proposed panel-style nano-battery use in an EV would save up to 6.00 kWh in battery energy, equivalent to 2.81 liters of petrol and prevent 3.081 kg of CO2 emission for a travel distance of 100 km. KEYWORDS: epoxy resin; carbon fiber; lithium thin plate; energy generation; solid electrolyte battery

  14. Membrane Materials and Technology for Xylene Isomers Separation and Isomerization via Pervaporation

    KAUST Repository

    Bilaus, Rakan

    2014-11-01

    P-xylene is one of the highly influential commodities in the petrochemical industry. It is used to make 90% of the world’s third largest plastic production, polyethylene terephthalate (PET). With a continuously increasing demand, the current technology’s high energy intensity has become a growing concern. Membrane separation technology is a potential low-energy alternative. Polymeric membranes were investigated in a pervaporation experiment to separate xylene isomers. Polymers of intrinsic microporosity (PIMs) as well as polyimides (PIM-PI), including thermally cross-linked PIM-1, PIM-6FDA-OH and thermally-rearranged PIM-6FDA-OH were investigated as potential candidates. Although they exhibited extremely high permeability to xylenes, selectivity towards p-xylene was poor. This was attributed to the polymers low chemical resistance which was apparent in their strong tendency to swell in xylenes. Consequently, a perfluoro-polymer, Teflon AF 2400, with a high chemical resistance was tested, which resulted in a slightly improved selectivity. A super acid sulfonated perfluoro-polymer (Nafion-H) was used as reactive membrane for xylenes isomerization. The membrane exhibited high catalytic activity, resulting in 19.5% p-xylene yield at 75ᵒC compared to 20% p-xylene yield at 450ᵒC in commercial fixed bed reactors. Nafion-H membrane outperforms the commercial technology with significant energy savings.

  15. A comparative cytotoxicity study of isomeric alkylphthalates to metabolically variant bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Sandy, Edward H. [Key Laboratory of Biogeology and Environmental Geology Laboratory of Chinese Ministry of Education and School of Environmental Studies and Sino-Hungarian Joint Laboratory of Environmental Science and Health, China University of Geosciences, Wuhan 430074 (China); Chemistry Department, Fourah Bay College, University of Sierra Leone, Freetown (Sierra Leone); Yao Jun, E-mail: yaojun@cug.edu.cn [Key Laboratory of Biogeology and Environmental Geology Laboratory of Chinese Ministry of Education and School of Environmental Studies and Sino-Hungarian Joint Laboratory of Environmental Science and Health, China University of Geosciences, Wuhan 430074 (China); Zheng Shixue [State Key Laboratory of Agricultural Microbiology, College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070 (China); Gogra, Alhaji B.; Chen Huilun [Key Laboratory of Biogeology and Environmental Geology Laboratory of Chinese Ministry of Education and School of Environmental Studies and Sino-Hungarian Joint Laboratory of Environmental Science and Health, China University of Geosciences, Wuhan 430074 (China); Zheng Hui [State Key Laboratory of Agricultural Microbiology, College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070 (China); Yormah, Thomas B.R. [Chemistry Department, Fourah Bay College, University of Sierra Leone, Freetown (Sierra Leone); Zhang Xin [Yale School of Forestry and Environmental Studies, Yale University, 195 Prospect St., New Haven, CT 06511 (United States); Zaray, Gyula [Department of Chemical Technology and Environmental Chemistry, Eoetvoes University, H-1518 Budapest, P.O. Box 32 (Hungary); Ceccanti, Brunello [Institute of Ecosystem Studies (ISE)-Italian National Research Council (ICT-CNR) (Italy); Choi, Martin M.F., E-mail: mfchoi@hkbu.edu.hk [Department of Chemistry, Hong Kong Baptist University, 224 Waterloo Road, Kowloon Tong (Hong Kong)

    2010-10-15

    This work investigated the toxicity of two isomeric alkylphthalates, i.e., di-n-octyl phthalate (DOP) and di-2-ethylhexyl phthalate (DEHP) to two model bacteria, Escherichia coli (E. coli) and Bacillus subtilis (B. subtilis), which have been previously used to study the toxicity of environmental pollutants. Microcalorimetry was used as the key analytical tool alongside scanning electron microscopy (SEM) and traditional microbiology techniques. The thermokinetic parameters from microcalorimetry showed that the phthalates had a biphasic effect on the metabolic activities of the bacteria; serving as energy sources for the bacteria thereby stimulating their growth at low dosages ({<=}150 {mu}g/mL), but displaying inhibitory effects at higher dosages ({>=}300 {mu}g/mL), indicated by a sharp decrease in growth rate constants at 450 {mu}g/mL. The SEM revealed that the bacterial cells were morphological deformed, with shrunk cells and elongated strands at 600 {mu}g/mL of both phthalates. The elongated strands inferred that the phthalates inhibited the reproductive processes of the bacteria by possibly impeding some stages of cell division. The half inhibitory concentrations of the phthalates showed that DEHP was more toxic than DOP. Additionally, E. coli, a facultative anaerobe, was more susceptible to the toxic effects of phthalates than B. subtilis, an obligate aerobe capable of forming endospores crucial for tolerating extreme environmental conditions.

  16. How to compute isomerization energies of organic molecules with quantum chemical methods.

    Science.gov (United States)

    Grimme, Stefan; Steinmetz, Marc; Korth, Martin

    2007-03-16

    The reaction energies for 34 typical organic isomerizations including oxygen and nitrogen heteroatoms are investigated with modern quantum chemical methods that have the perspective of also being applicable to large systems. The experimental reaction enthalpies are corrected for vibrational and thermal effects, and the thus derived "experimental" reaction energies are compared to corresponding theoretical data. A series of standard AO basis sets in combination with second-order perturbation theory (MP2, SCS-MP2), conventional density functionals (e.g., PBE, TPSS, B3-LYP, MPW1K, BMK), and new perturbative functionals (B2-PLYP, mPW2-PLYP) are tested. In three cases, obvious errors of the experimental values could be detected, and accurate coupled-cluster [CCSD(T)] reference values have been used instead. It is found that only triple-zeta quality AO basis sets provide results close enough to the basis set limit and that sets like the popular 6-31G(d) should be avoided in accurate work. Augmentation of small basis sets with diffuse functions has a notable effect in B3-LYP calculations that is attributed to intramolecular basis set superposition error and covers basic deficiencies of the functional. The new methods based on perturbation theory (SCS-MP2, X2-PLYP) are found to be clearly superior to many other approaches; that is, they provide mean absolute deviations of less than 1.2 kcal mol-1 and only a few (computational thermochemistry methods.

  17. High rate gamma spectroscopy system for activation analysis of short-lived isomeric transitions

    Energy Technology Data Exchange (ETDEWEB)

    Westphall, G P [Atominstitut der Oesterreichischen Hochschulen, Vienna

    1976-07-15

    A high rate spectroscopy system specially suited for measurement of short-lived isomeric transitions is described, which, as part of a fast activation analysis facility at the TRIGA Mark II reactor, provides for automatic recording and immediate evaluation of gamma spectra taken from nuclides activated at stationary or pulsed reactor power. The system consists of a commercial de-coupled Ge(Li)-detector of 70 cm/sup 3/ modified for recycling operation for input rates in excess of 500000 c/s /sup 60/Co, a time variant trapezoidal shaping section and a fast constant dead-time ADC coupled to a programmed multichannel analyzer. Novel circuits for efficient pile-up rejection and time variant base line restoration extend the concept of gated integration up to count rates of more than 200000 c/s /sup 60/Co. Time-sequenced recording of spectra is performed by a minicomputer operated as a front-end processor of a larger laboratory computer, where final data processing takes place. New concepts for very simple and cost-effective implementation of multichannel analyzers by means of general purpose small computers are described.

  18. Sugar Profile, Mineral Content, and Rheological and Thermal Properties of an Isomerized Sweet Potato Starch Syrup.

    Science.gov (United States)

    Dominque, Brunson; Gichuhi, Peter N; Rangari, Vijay; Bovell-Benjamin, Adelia C

    2013-01-01

    Currently, corn is used to produce more than 85% of the world's high fructose syrup (HFS). There is a search for alternative HFS substrates because of increased food demand and shrinking economies, especially in the developing world. The sweet potato is a feasible, alternative raw material. This study isomerized a high glucose sweet potato starch syrup (SPSS) and determined its sugar profile, mineral content, and rheological and thermal properties. Rheological and thermal properties were measured using a rheometer and DSC, respectively. Sweet potato starch was hydrolyzed to syrup with a mean fructose content of 7.6 ± 0.4%. The SPSS had significantly higher (P syrups. During 70 days of storage, the SPSS acted as a non-Newtonian, shear-thinning liquid in which the viscosity decreased as shear stress increased. Water loss temperature of the SPSS continually decreased during storage, while pancake and ginger syrups' peak water loss temperature decreased initially and then increased. Further and more detailed studies should be designed to further enhance the fructose content of the syrup and observe its stability beyond 70 days. The SPSS has the potential to be used in human food systems in space and on Earth.

  19. Sugar Profile, Mineral Content, and Rheological and Thermal Properties of an Isomerized Sweet Potato Starch Syrup

    Directory of Open Access Journals (Sweden)

    Brunson Dominque

    2013-01-01

    Full Text Available Currently, corn is used to produce more than 85% of the world’s high fructose syrup (HFS. There is a search for alternative HFS substrates because of increased food demand and shrinking economies, especially in the developing world. The sweet potato is a feasible, alternative raw material. This study isomerized a high glucose sweet potato starch syrup (SPSS and determined its sugar profile, mineral content, and rheological and thermal properties. Rheological and thermal properties were measured using a rheometer and DSC, respectively. Sweet potato starch was hydrolyzed to syrup with a mean fructose content of 7.6±0.4%. The SPSS had significantly higher (P<0.05 mineral content when compared to commercial ginger and pancake syrups. During 70 days of storage, the SPSS acted as a non-Newtonian, shear-thinning liquid in which the viscosity decreased as shear stress increased. Water loss temperature of the SPSS continually decreased during storage, while pancake and ginger syrups’ peak water loss temperature decreased initially and then increased. Further and more detailed studies should be designed to further enhance the fructose content of the syrup and observe its stability beyond 70 days. The SPSS has the potential to be used in human food systems in space and on Earth.

  20. Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

    Directory of Open Access Journals (Sweden)

    Tino Wolter

    Full Text Available Neurological glutamate receptors bind a variety of artificial ligands, both agonistic and antagonistic, in addition to glutamate. Studying their small molecule binding properties increases our understanding of the central nervous system and a variety of associated pathologies. The large, oligomeric multidomain membrane protein contains a large and flexible ligand binding domains which undergoes large conformational changes upon binding different ligands. A recent application of glutamate receptors is their activation or inhibition via photo-switchable ligands, making them key systems in the emerging field of optochemical genetics. In this work, we present a theoretical study on the binding mode and complex stability of a novel photo-switchable ligand, ATA-3, which reversibly binds to glutamate receptors ligand binding domains (LBDs. We propose two possible binding modes for this ligand based on flexible ligand docking calculations and show one of them to be analogues to the binding mode of a similar ligand, 2-BnTetAMPA. In long MD simulations, it was observed that transitions between both binding poses involve breaking and reforming the T686-E402 protein hydrogen bond. Simulating the ligand photo-isomerization process shows that the two possible configurations of the ligand azo-group have markedly different complex stabilities and equilibrium binding modes. A strong but slow protein response is observed after ligand configuration changes. This provides a microscopic foundation for the observed difference in ligand activity upon light-switching.

  1. A comparative cytotoxicity study of isomeric alkylphthalates to metabolically variant bacteria

    International Nuclear Information System (INIS)

    Sandy, Edward H.; Yao Jun; Zheng Shixue; Gogra, Alhaji B.; Chen Huilun; Zheng Hui; Yormah, Thomas B.R.; Zhang Xin; Zaray, Gyula; Ceccanti, Brunello; Choi, Martin M.F.

    2010-01-01

    This work investigated the toxicity of two isomeric alkylphthalates, i.e., di-n-octyl phthalate (DOP) and di-2-ethylhexyl phthalate (DEHP) to two model bacteria, Escherichia coli (E. coli) and Bacillus subtilis (B. subtilis), which have been previously used to study the toxicity of environmental pollutants. Microcalorimetry was used as the key analytical tool alongside scanning electron microscopy (SEM) and traditional microbiology techniques. The thermokinetic parameters from microcalorimetry showed that the phthalates had a biphasic effect on the metabolic activities of the bacteria; serving as energy sources for the bacteria thereby stimulating their growth at low dosages (≤150 μg/mL), but displaying inhibitory effects at higher dosages (≥300 μg/mL), indicated by a sharp decrease in growth rate constants at 450 μg/mL. The SEM revealed that the bacterial cells were morphological deformed, with shrunk cells and elongated strands at 600 μg/mL of both phthalates. The elongated strands inferred that the phthalates inhibited the reproductive processes of the bacteria by possibly impeding some stages of cell division. The half inhibitory concentrations of the phthalates showed that DEHP was more toxic than DOP. Additionally, E. coli, a facultative anaerobe, was more susceptible to the toxic effects of phthalates than B. subtilis, an obligate aerobe capable of forming endospores crucial for tolerating extreme environmental conditions.

  2. Synthesis, characterization and ESR study of polyesters containing isomeric naphthylene units by gamma irradiation

    International Nuclear Information System (INIS)

    Choi, B.K.; Hill, D.J.T.; Choi, E.J.; Ahn, H.K.

    1998-01-01

    Full text: Aromatic polyesters containing naphthalene groups have interesting properties because the geometry of the naphthalene group can provide many of the structural features for the polymer chain. In this study we synthesized six polyesters from 4,4 ' - (hexafluoroisopropyl-idene)bis(benzoic acid) and isomeric naphthylene-diols. An ESR study of the radicals formed on gamma radiolysis of the polyesters has been undertaken to investigate their relative radiation sensitivities. The structures of the polyesters were characterized by means of IR spectroscopy. Inherent viscosities were measured in the range of 0.11 - 0.46 dL/g. Thermal properties of polyesters were determined by DSC and TGA thermograms, respectively. All polyesters were irradiated in an AECL Gamma cell with a dose rate of approximately 6.7kGy h -1 to doses in the range of 0 - 15kGy at 77K and 300K, respectively. In order to identify other radicals present at 77K, annealing studies were utilized by taking advantage of the different reactivities of these radicals

  3. LC-MS n Analysis of Isomeric Chondroitin Sulfate Oligosaccharides Using a Chemical Derivatization Strategy

    Science.gov (United States)

    Huang, Rongrong; Pomin, Vitor H.; Sharp, Joshua S.

    2011-09-01

    Improved methods for structural analyses of glycosaminoglycans (GAGs) are required to understand their functional roles in various biological processes. Major challenges in structural characterization of complex GAG oligosaccharides using liquid chromatography-mass spectrometry (LC-MS) include the accurate determination of the patterns of sulfation due to gas-phase losses of the sulfate groups upon collisional activation and inefficient on-line separation of positional sulfation isomers prior to MS/MS analyses. Here, a sequential chemical derivatization procedure including permethylation, desulfation, and acetylation was demonstrated to enable both on-line LC separation of isomeric mixtures of chondroitin sulfate (CS) oligosaccharides and accurate determination of sites of sulfation by MS n . The derivatized oligosaccharides have sulfate groups replaced with acetyl groups, which are sufficiently stable to survive MS n fragmentation and reflect the original sulfation patterns. A standard reversed-phase LC-MS system with a capillary C18 column was used for separation, and MS n experiments using collision-induced dissociation (CID) were performed. Our results indicate that the combination of this derivatization strategy and MS n methodology enables accurate identification of the sulfation isomers of CS hexasaccharides with either saturated or unsaturated nonreducing ends. Moreover, derivatized CS hexasaccharide isomer mixtures become separable by LC-MS method due to different positions of acetyl modifications.

  4. Nanopore Analysis of the 5-Guanidinohydantoin to Iminoallantoin Isomerization in Duplex DNA.

    Science.gov (United States)

    Zeng, Tao; Fleming, Aaron M; Ding, Yun; Ren, Hang; White, Henry S; Burrows, Cynthia J

    2018-04-06

    In DNA, guanine oxidation yields diastereomers of 5-guanidinohydantoin (Gh) as one of the major products. In nucleosides and single-stranded DNA, Gh is in a pH-dependent equilibrium with its constitutional isomer iminoallantoin (Ia). Herein, the isomerization reaction between Gh and Ia was monitored in duplex DNA using a protein nanopore by measuring the ionic current when duplex DNA interacts with the pore under an electrophoretic force. Monitoring current levels in this single-molecule method proved to be superior for analysis of population distributions in an equilibrating mixture of four isomers in duplex DNA as a function of pH. The results identified Gh as a major isomer observed when base paired with A, C, or G at pH 6.4-8.4, and Ia was a minor isomer of the reaction mixture that was only observed when the pH was >7.4 in the duplex DNA context. The present results suggest that Gh will be the dominant isomer in duplex DNA under physiological conditions regardless of the base-pairing partner in the duplex.

  5. A high rate gamma spectroscopy system for activation analysis of short lived isomeric transitions

    Energy Technology Data Exchange (ETDEWEB)

    Westphal, G P [Atominstitut, Vienna (Austria)

    1976-07-01

    A high rate spectroscopy system specially suited for measurement of short-lived isomeric transitions is described, which, as part of a fast activation analysis facility at the TRIGA Mark II reactor, provides for automatic recording and immediate evaluation of gamma spectra taken from nuclides activated at stationary or pulsed reactor power. The system consists of a commercial DC-coupled Ge(Li)-detector of 70 cm{sup 3} modified for recycling operation for input rates in excess of 500,000 c/s Co-60, a time variant trapezoidal shaping section and a fast constant dead-time ADC coupled to a programmed multi-channel analyzer. Novel circuits for efficient pile-up rejection and time variant base line restoration extend the concept of gated integration up to count rates of more than 300,000 c/s Co-60. Time-sequenced recording of spectra is performed by a mini computer operated as a front-end processor of a larger laboratory computer, where final data processing takes place. New concepts for very simple and cost-effective implementation of multi-channel analyzers by means of general purpose small computers are described. (author)

  6. Developing Online Marketing in Social Media for DORTMUNDtourismus e.V.

    OpenAIRE

    Steinrücken, Thomas

    2010-01-01

    The thesis discussed the topic of online marketing in social media. The focus was set on the social media platforms Facebook, YouTube and Flickr. Commissioner of the thesis was DORTMUNDtourismus e.V., the destination management organization for Dortmund, Germany. The research problem was to identify ways to develop online marketing in social media in a cost-efficient and innovative way in order to raise the awareness of DORTMUNDtourismus e.V. and Dortmund in social media and as a destination....

  7. Reflection of 32--2000 eV deuterium from carbon

    International Nuclear Information System (INIS)

    Braun, M.; Thomas, E.W.

    1982-01-01

    Reflection of deuterium from carbon is measured by a technique based on the rise of partial pressure caused by the reflected particles. Data are presented for 32--2000 eV per deuteron incident energies and as a function of angle of incidence. The data are consistent with previous determinations at energies above 1000 eV. A systematic difference in energy dependence is found when the measurements for reflection of deuterium are compared on a reduced energy scale with MARLOWE computer simulations of hydrogen reflection

  8. Coordination of EVs Participation for Load Frequency Control in Isolated Microgrids

    DEFF Research Database (Denmark)

    Vahedipour-Dahraie, Mostafa; Rashidizaheh-Kermani, Homa; Najafi, Hamid Reza

    2017-01-01

    Increasing the penetration levels of renewable energy sources (RESs) in microgrids (MGs) may lead to frequency instability issues due to intermittent nature of RESs and low inertia of MG generating units. On the other hand, presence of electric vehicles (EVs), as new high-electricity- consuming...... appliances, can be a good opportunity to contribute in mitigating the frequency deviations and help the system stability. This paper proposes an optimal charging/discharging scheduling of EVs with the goal of improving frequency stability of MG during autonomous operating condition. To this end, an efficient...

  9. Determination of resonance parameters at 4.90 eV for Au 197

    International Nuclear Information System (INIS)

    Tellier, Henry; Alix, Michel

    1969-12-01

    A new study of the 4.9 eV resonance of gold was carried out by the time of flight method using the 45 MeV Saclay linac as a pulsed neutron source. Four sample thicknesses were used for the measurements. The four transmission curves were shaped analysed and the following parameters were obtained: E = 4.900 ± 0.005 eV - Γ = 137.5 ± 2.0 meV and Γ n = 15.0 ± 0.2 meV. (author) [fr

  10. Generating Geospatially Realistic Driving Patterns Derived From Clustering Analysis Of Real EV Driving Data

    DEFF Research Database (Denmark)

    Pedersen, Anders Bro; Aabrandt, Andreas; Østergaard, Jacob

    2014-01-01

    In order to provide a vehicle fleet that realistically represents the predicted Electric Vehicle (EV) penetration for the future, a model is required that mimics people driving behaviour rather than simply playing back collected data. When the focus is broadened from on a traditional user...... scales, which calls for a statistically correct, yet flexible model. This paper describes a method for modelling EV, based on non-categorized data, which takes into account the plug in locations of the vehicles. By using clustering analysis to extrapolate and classify the primary locations where...

  11. Average values of 235U resonance parameters up to 500 eV

    International Nuclear Information System (INIS)

    Leal, L.C.

    1991-01-01

    An R-matrix analysis of 235 U neutron cross sections was recently completed. The analysis was performed with the multilevel-multichannel Reich-Moore computer code SAMMY and extended the resolved resonance region up to 500 eV. Several high resolution measurements namely, transmission, fission and capture data as well as spin separated fission data were analyzed in a consistent manner and a very accurate parametrization up to 500 eV of these data were obtained. The aim of this paper is to present the results of average values of the resonance parameters. 9 refs., 1 tab

  12. Excitation function and isomeric ratio of Tc-isotopes from the 93Nb(α, xn) reaction

    International Nuclear Information System (INIS)

    Kim, K.; Kim, G.N.; Naik, H.; Zaman, M.; Yang, S.-C.; Song, T.-Y.; Guin, R.; Das, S.K.

    2015-01-01

    The excitation functions of 94–96 Tc isotopes and independent isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc from the 93 Nb(α, xn) reaction within the energy range below 40 MeV have been determined by using a stacked-foil activation and an off-line γ-ray spectrometric technique at the Variable Energy Cyclotron Center, Kolkota, India. The excitation function of 94–96 Tc in the 93 Nb(α, xn) reaction was also calculated by using the computer code TALYS 1.6. The present data are found to be in general agreement with the literature data but have similar trend with some deviation from calculated data of the TALYS 1.6 code. The isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc in the 93 Nb(α, xn) reactions from the present work and literature data were compared with similar data in the 93 Nb( 3 He, xn) and 96 Mo(p, xn) reactions. In all the three reactions, the isomeric ratios increase with the increasing excitation energy. However, at all excitation energies, the isomeric ratios of 93m, g Tc, 94m, g Tc, and 95m, g Tc in the 93 Nb(α, xn) and 93 Nb( 3 He, xn) reactions are higher than those in the 96 Mo(p, xn) reactions, which indicate the role of input angular momentum besides excitation energy. Above the excitation energy of 35–55 MeV, the isomeric ratios of 95m, g Tc, 94m, g Tc, and 93m, g Tc decrease in all the 93 Nb(α, xn), 93 Nb( 3 He, xn) and 96 Mo(p, xn) reactions. This decreasing trend at higher excitation energy indicates the starting of pre-equilibrium reaction, which depends on the target, projectile, and type of reaction products

  13. EV-A71 vaccine licensure: a first step for multivalent enterovirus vaccine to control HFMD and other severe diseases.

    Science.gov (United States)

    Mao, Qunying; Wang, Yiping; Bian, Lianlian; Xu, Miao; Liang, Zhenglun

    2016-07-20

    Enteroviruses (EVs) are the most common viral agents in humans. Although most infections are mild or asymptomatic, there is a wide spectrum of clinical manifestations that may be caused by EV infections with varying degrees of severity. Among these viruses, EV-A71 and coxsackievirus (CV) CV-A16 from group A EVs attract the most attention because they are responsible for hand, foot and mouth disease (HFMD). Other EV-A viruses such as CV-A6 and CV-A10 were also reported to cause HFMD outbreaks in several countries or regions. Group B EVs such as CV-B3, CV-B5 and echovirus 30 were reported to be the main pathogens responsible for myocarditis and encephalitis epidemics and were also detected in HFMD patients. Vaccines are the best tools to control infectious diseases. In December 2015, China's Food and Drug Administration approved two inactivated EV-A71 vaccines for preventing severe HFMD.The CV-A16 vaccine and the EV-A71-CV-A16 bivalent vaccine showed substantial efficacy against HFMD in pre-clinical animal models. Previously, research on EV-B group vaccines was mainly focused on CV-B3 vaccine development. Because the HFMD pathogen spectrum has changed, and the threat from EV-B virus-associated severe diseases has gradually increased, it is necessary to develop multivalent HFMD vaccines. This study summarizes the clinical symptoms of diseases caused by EVs, such as HFMD, myocarditis and encephalitis, and the related EV vaccine development progress. In conclusion, developing multivalent EV vaccines should be strongly recommended to prevent HFMD, myocarditis, encephalitis and other severe diseases.

  14. Rearrangements in ground and excited states

    CERN Document Server

    de Mayo, Paul

    1980-01-01

    Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles;

  15. Optical conductivity of Ni1 − xPtx alloys (0eV

    Directory of Open Access Journals (Sweden)

    Lina S. Abdallah

    2014-01-01

    Full Text Available Using spectroscopic ellipsometry and Drude-Lorentz oscillator fitting, we determined the dielectric function and optical conductivity versus photon energy from 0.76 to 6.6 eV of 10 nm thick Ni1 − xPtx alloy (0eV due to interband optical transitions. There is a significant broadening of the UV peak with increasing Pt content, since the bandwidth of the 3d electrons in Ni is smaller than that of the 5d bands in Pt. Our experimental observation is consistent with ab initio calculations of the density of states for Ni, Pt, and the Ni3Pt compound. Annealing the metals at 500°C for 30 s increases the optical conductivity.

  16. Determination of the molecular structure via the medium energy electrons (500 eV-1,5 KeV) Ar, N2, Co e HCl

    International Nuclear Information System (INIS)

    Nogueira, J.C.

    1977-01-01

    Elastic Differential and Total Differential Cross Sections are measured for electron collision in medium-energy range (500 eV - 1,5 KeV) with argon, nitrogen, carbon monoxide and hydrogen chloride, all in their electronic ground state. Theoretical calculation for the Elastic Differential Cross Sections by atoms were done employing Hartree-Fock-Clementy wave function, and making use of Partial Wave and WKBJ Methods. Exchange effect is included in the case of argon. Independent Atom Model, Half Molecule Model and a new model, the Ionic Model were utilized for the molecular calculations. The Ionic Model is suggested for the interaction between HCl and electrons. Inelastic Differential Cross Section were also computed, making use of the First Born Approximation and Hartree-Fock-Clementi wave function. It is also demonstrated, for the first time, that medium energy electrons (500 eV - 1,5 Kev) can be used to determine molecular structure parameters, in gas phase [pt

  17. Quantum Chemical and FTIR Spectroscopic Studies on the Linkage Isomerism of Carbon Monoxide in Alkali-Metal-Exchanged Zeolites: A Review of Current Research

    Directory of Open Access Journals (Sweden)

    E. Garrone

    2002-07-01

    Full Text Available Abstract: When adsorbed (at a low temperature on alkali-metal-exchanged zeolites, CO forms both M(CO+ and M(OC+ carbonyl species with the extra-framework alkali-metal cation of the zeolite. Both quantum chemical and experimental results show that C-bondend adducts are characterized by a C−O stretching IR band at a frequency higher than that of 2143 cm-1 for free CO, while for O-bonded adducts this IR band appears below 2143 cm-1. The cation-CO interaction energy is higher for M(CO+ than for M(OC+ carbonyls, although the corresponding difference decreases substantially when going from Li+ to Cs+. By means of variable-temperature FTIR spectroscopy, this energy difference was determined for several alkali-metal cations, and the existence of a thermal equilibrium between M(CO+ and M(OC+ species was established. The current state of research in this field is reviewed here, with a view to gain more insight into the thermal isomerization process.

  18. Part A. Neutron activation analysis of selenium and vanadium in biological matrices. Part B. Isomeric transition activation in aqueous solutions of alkyl bromides

    International Nuclear Information System (INIS)

    Ebrahim, A.

    1988-01-01

    Several procedures were evaluated for determination of selenium in biological fluids and vanadium in biological tissues by neutron activation analysis (NAA) employing 77m Se and 52 V isotopes, respectively. Procedures for determination of total selenium, trimethylselenonium (TMSe) ion and selenite (SeO 3 2- ) ion in urine and serum and for total selenoamino acids in urine were developed by utilizing anion exchange chromatography and molecular NAA. A pre-column derivatization of selenoamino acids with o-phthalaldehyde was necessary for their determination. Also an analytical approach was developed for determination of trace vanadium in liver samples from normal and diabetic rats as well as human and cow. Reactions of bromine-80 activated by radiative neutron capture and bromine-82 activated by isomeric transition were investigated in aqueous solutions of bromomethane and 1-bromobutane. Bromine-80 organic yields decreased with decreasing solute concentrations. The tendency for aggregation of the solute molecules diminished as the solute concentration approached zero where the probable state of the solute approached a monomolecular dispersion. Unlike reactions of 80 Br born by 79 Br(n,γ) 80 Br reaction, the total organic product yields resulting from the 82m Br(I.T.) 82 Br process showed no solute concentration dependence

  19. Performance of transition metal-carbon multilayer mirrors from 80 to 350 eV

    International Nuclear Information System (INIS)

    Kania, D.R.; Bartlett, R.J.; Trela, W.J.; Spiller, E.; Golub, L.

    1984-03-01

    We report measurements and theoretical calculations of the reflectivity and resolving power of multilayer mirrors made of alternate layers of a transition metal (Co, Fe, V, and Cr) and carbon (2d approx. = 140 A) from 80 to 350 eV

  20. Multi-agents modelling of EV purchase willingness based on questionaires

    DEFF Research Database (Denmark)

    Xue, Yusheng; Wu, Juai; Xie, Dongliang

    2015-01-01

    of generating similar behaviors as the given participants in experiments. An experimental economics based analysis method is presented to extract deep information from questionnaire data and emulate any number of participants.Taking the customers’ willingness to purchase electric vehicles(EVs) as an example...