WorldWideScience

Sample records for ev isomeric states

  1. Cold fission from isomeric states of superheavy nuclei

    Science.gov (United States)

    Sandulescu, A.; Mirea, M.

    2014-07-01

    Correlations between the potential energy surface structure and the mass distributions observed in the production of superheavy nuclei are evidenced. The isomeric states are identified by spanning the multidimensional configuration space from the contact point of the colliding nuclei up to the formation of the compound nucleus. The available degrees of freedom are the elongation, the necking, the mass asymmetry, and the deformations of the two colliding nuclei. Using the macroscopic-microscopic model based on the Woods-Saxon two-center shell model, several minima in the potential energy landscape were revealed. The fission process from these isomeric states was investigated and the probabilities of realization of possible partitions were calculated in the WKB approximation. The inertia was computed in the framework of the cranking model. The identified correlations indicate that the mass distribution attributed to quasifission in previous studies can be alternatively explained as a cold-fission process from excited states.

  2. A VUV detection system for the direct photonic identification of the first excited isomeric state of 229Th

    Science.gov (United States)

    Seiferle, Benedict; von der Wense, Lars; Laatiaoui, Mustapha; Thirolf, Peter G.

    2016-03-01

    With an expected energy of 7.6(5) eV, 229Th 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 229Th. 229(m)Th ions originating from a 233U 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 229Th. 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 D2 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.

  3. Half-life measurements of isomeric states populated in projectile fragmentation

    Science.gov (United States)

    Bowry, M.; Podolyák, Zs.; Kurcewicz, J.; Pietri, S.; Bunce, M.; Regan, P. H.; Farinon, F.; Geissel, H.; Nociforo, C.; Prochazka, A.; Weick, H.; Allegro, P.; Benlliure, J.; Benzoni, G.; Boutachkov, P.; Gerl, J.; Gorska, M.; Gottardo, A.; Gregor, N.; Janik, R.; Knöbel, R.; Kojouharov, I.; Kubo, T.; Litvinov, Y. A.; Merchan, E.; Mukha, I.; Naqvi, F.; Pfeiffer, B.; Pfützner, M.; Plaß, W.; Pomorski, M.; Riese, B.; Ricciardi, M. V.; Schmidt, K.-H.; Schaffner, H.; Kurz, N.; Denis Bacelar, A. M.; Bruce, A. M.; Farrelly, G. F.; Alkhomashi, N.; Al-Dahan, N.; Scheidenberger, C.; Sitar, B.; Spiller, P.; Stadlmann, J.; Strmen, P.; Sun, B.; Takeda, H.; Tanihata, I.; Terashima, S.; Valiente Dobon, J. J.; Winfield, J. S.; Wollersheim, H.-J.; Woods, P. J.

    2012-10-01

    The half-lives of excited isomeric states observed in 195Au, 201Tl and 215Rn are reported for the first time. Delayed γ-rays were correlated with nuclei produced in the projectile fragmentation of relativistic 238U ions, unambiguously identified in terms of their atomic number (Z) and mass-to-charge ratio (A/Q) after traversing an in-flight separator. The observation of a long-lived isomeric state in 195Au with t1/2 = 16-4+8 μs is presented. Two shorter-lived isomeric states were detected in 201Tl and 215Rn with t1/2 = 95-21+39 and 57-12+21 ns respectively. In total 24 isomeric states were identified in different nuclei from Pt to Rn (A ˜ 200) during the current study, the majority of which were previously reported. The wealth of spectroscopic data provides the opportunity to determine the isomeric ratios over a wide range of Z, A and angular momentum (I ħ) of the reaction products. In particular, high-spin states with I ≳ 18 ħ provide a robust test of theoretical models of fragmentation.

  4. Observation of isomeric decays and the high spin states in doubly-odd 208Fr

    CERN Document Server

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

    2009-01-01

    Neutron deficient isotopes of Francium (Z=87, N=121-123) as excited nuclei were produced in the fusion-evaporation reaction: 197Au(16O,xn)[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 208Fr nuclei, identified from the known sequence of ground state transitions, were observed. The half lives of the 194(2) keV isomeric transition, known from earlier observations, was measured to be 233(18) ns. A second isomeric transition at 383(2) keV and half life of 33(7) ns was also found. The measured half lives were compared with the corresponding single particle estimates, based on a the level scheme obtained from the experiment.

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

    Science.gov (United States)

    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.

    2010-10-01

    Neutron deficient isotopes of francium ( Z=87, N˜121-123) as excited nuclei were produced in the fusion-evaporation reaction: 197Au( 16O, xn) 213 - xFr 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 208Fr nuclei, identified from the known sequence of ground state transitions, were observed. The half-lives of the E=194(2) keV isomeric transition, known from earlier observations, was measured to be T=233(18) ns. A second isomeric transition at E=383(2) keV and T=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.

  6. Population of high-spin isomeric states following fragmentation of 238U

    Science.gov (United States)

    Bowry, M.; Podolyák, Zs.; Pietri, S.; Kurcewicz, J.; Bunce, M.; Regan, P. H.; Farinon, F.; Geissel, H.; Nociforo, C.; Prochazka, A.; Weick, H.; Al-Dahan, N.; Alkhomashi, N.; Allegro, P. R. P.; Benlliure, J.; Benzoni, G.; Boutachkov, P.; Bruce, A. M.; Denis Bacelar, A. M.; Farrelly, G. F.; Gerl, J.; Górska, M.; Gottardo, A.; Grębosz, J.; Gregor, N.; Janik, R.; Knöbel, R.; Kojouharov, I.; Kubo, T.; Kurz, N.; Litvinov, Yu. A.; Merchan, E.; Mukha, I.; Naqvi, F.; Pfeiffer, B.; Pfützner, M.; Plaß, W.; Pomorski, M.; Riese, B.; Ricciardi, M. V.; Schmidt, K.-H.; Schaffner, H.; Scheidenberger, C.; Simpson, E. C.; Sitar, B.; Spiller, P.; Stadlmann, J.; Strmen, P.; Sun, B.; Tanihata, I.; Terashima, S.; Valiente Dobón, J. J.; Winfield, J. S.; Wollersheim, H.-J.; Woods, P. J.

    2013-08-01

    Isomeric ratios have been determined for 23 metastable states identified in A≈200 nuclei from Pt to Rn near the valley of stability following fragmentation of 238U. This includes high-spin states with angular momenta ranging from (39/2)ℏ to 25ℏ. The experimental results are discussed together with those of similar experiments performed in this mass region. Isomeric ratios are compared with theoretical predictions where the angular momentum of the fragment arises purely due to the angular momentum of nucleons removed from the projectile. The theoretical yield of low-spin states is generally overestimated. In these cases the assumption of 100% feeding of the isomer may require modification. However, the yield of high-spin isomeric states [Im ≥ (39/2)ℏ] is significantly underestimated and highlights the requirement for a more complete theoretical framework in relation to the generation of fragment angular momentum. The enhanced population of high-spin states reported here is advantageous to future studies involving isomeric beams at fragmentation facilities such as the Rikagaku Kenkyusho RI Beam Factory (Japan) and next-generation facilities at the Facility for Antiproton and Ion Research (Germany) and Facility for Rare Isotope Beams (USA).

  7. A theoretical study of the MgNC/MgCN isomerization in the electronic ground state

    Czech Academy of Sciences Publication Activity Database

    Bludský, Ota; Špirko, Vladimír; Odaka, T. E.; Jensen, P.; Hirano, T.

    695/696, - (2004), s. 219-226 ISSN 0022-2860 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4055905 Keywords : isomerization * electronic ground state * STIRAP Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.200, year: 2004

  8. High-spin states and a new band based on the isomeric state in {sup 152}Nd

    Energy Technology Data Exchange (ETDEWEB)

    Yeoh, E.Y.; Wang, J.G.; Ding, H.B.; Gu, L.; Xu, Q.; Xiao, Z.G. [Tsinghua University, Department of Physics, Beijing (China); Zhu, S.J. [Tsinghua University, Department of Physics, Beijing (China); Vanderbilt University, Department of Physics, Nashville, TN (United States); Hamilton, J.H.; Ramayya, A.V.; Hwang, J.K.; Liu, S.H.; Li, K. [Vanderbilt University, Department of Physics, Nashville, TN (United States); Yang, Y.C.; Sun, Y. [Shanghai Jiao Tong University, Department of Physcis, Shanghai (China); Luo, Y.X. [Vanderbilt University, Department of Physics, Nashville, TN (United States); Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Rasmussen, J.O.; Lee, I.Y. [Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Ma, W.C. [Mississippi State University, Department of Physics, Mississippi State, MS (United States)

    2010-08-15

    High-spin states of the neutron-rich {sup 152}Nd nucleus have been reinvestigated by measuring the prompt {gamma} -rays in the spontaneous fission of {sup 252}Cf. The ground-state band and a side negative-parity band have been updated. A new band based on the 2243.7keV isomeric state has been identified. The half-life for the isomeric state has been measured to be 63(7)ns. The projected shell model is employed to study the band structure of this nucleus. The results show that the calculated levels of the bands are in good agreement with the experimental ones, and the isomeric state and the negative-parity band are based on the proton {pi} 5/2{sup -}[532] x {pi}9/2{sup +}[404] and neutron {nu} 3/2{sup -}[521] x {nu}5/2{sup +}[642] two-quasiparticles configurations, respectively. (orig.)

  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. Systematic study of α preformation probability of nuclear isomeric and ground states

    Science.gov (United States)

    Sun, Xiao-Dong; Wu, Xi-Jun; Zheng, Bo; Xiang, Dong; Guo, Ping; Li, Xiao-Hua

    2017-01-01

    In this paper, based on the two-potential approach combining with the isospin dependent nuclear potential, we systematically compare the α preformation probabilities of odd-A nuclei between nuclear isomeric states and ground states. The results indicate that during the process of α particle preforming, the low lying nuclear isomeric states are similar to ground states. Meanwhile, in the framework of single nucleon energy level structure, we find that for nuclei with nucleon number below the magic numbers, the α preformation probabilities of high-spin states seem to be larger than low ones. For nuclei with nucleon number above the magic numbers, the α preformation probabilities of isomeric states are larger than those of ground states. Supported by National Natural Science Foundation of China (11205083), Construct Program of Key Discipline in Hunan Province, Research Foundation of Education Bureau of Hunan Province, China (15A159), Natural Science Foundation of Hunan Province, China (2015JJ3103, 2015JJ2123), Innovation Group of Nuclear and Particle Physics in USC, Hunan Provincial Innovation Foundation for Postgraduate (CX2015B398)

  11. g-factor measurement of the 9/2{sup +} isomeric state in {sup 65}Ni

    Energy Technology Data Exchange (ETDEWEB)

    Georgiev, G [GANIL, BP 55027, F-14076 Caen Cedex 5 (France); CERN, 1211 Geneve-23 (Switzerland); Matea, I [GANIL, BP 55027, F-14076 Caen Cedex 5 (France); CENBG, Bordeaux-Gradignant (France); Balabanski, D L [INRNE, Bulgarian Academy of Sciences, Sofia, Bulgaria and University of Sofia, BG-1164 Sofia, Bulgaria (Bulgaria); Dipartimento di Fisica, Universita di Camerino, 62032 Camerino, MC (Italy)] [and others

    2005-10-01

    We report on the first measurement of the g factor of the J{sup {pi}} = 9/2{sup +} isomeric state in {sup 65}Ni. (d,p) reactions on enriched {sup 64}Ni and {sup 62}Ni have been used in order to populate and spin orient the J{sup {pi}} = 9/2{sup +} isomeric states in {sup 65}Ni and {sup 63}Ni. The hyperfine field of the Ni target, oriented by an external magnetic field, was used in order to obtain a sufficient number of spin precessions within the relatively short life time of the isomers. The g factor obtained, g({sup 65m}Ni) = -0.296(3), is in good agreement with the g factors of other 9/2{sup +} states in the region and with shell-model calculations.

  12. Discovery of a new isomeric state in $^{68}$Ni: Evidence for a highly-deformed proton intruder state

    CERN Document Server

    Dijon, A; De France, G; De Angelis, G; Duchêne, G; Dudouet, J; Franchoo, S; Gadea, A; Gottardo, A; Hüyük, T; Jacquot, B; Kusoglu, A; Lebhertz, D; Lehaut, G; Martini, M; Napoli, D R; Nowacki, F; Péru, S; Poves, A; Recchia, F; Redon, N; Sahin, E; Schmitt, C; Sferrazza, M; Sieja, K; Stezowski, O; Valiente-Dobon, J J; Vancraeyenest, A; Zheng, Y

    2012-01-01

    We report on the observation of a new isomeric state in $^{68}$Ni. We suggest that the newly observed state at 168(1) keV above the first 2$^+$ state is a $\\pi(2p-2h)$ 0$^{+}$ state across the major Z=28 shell gap. Comparison with theoretical calculations indicates a pure proton intruder configuration and the deduced low-lying structure of this key nucleus suggests a possible shape coexistence scenario involving a highly deformed state.

  13. Resolution of nuclear ground and isomeric states by a Penning trap mass spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Bollen, G.; Kluge, H.; Koenig, M.; Otto, T.; Savard, G.; Stolzenberg, H. (Institut fuer Physik, Universitaet Mainz, D-6500 Mainz (Germany)); Moore, R.B.; Rouleau, G. (Foster Radiation Laboratory, McGill University, Montreal, Province du Quebec, H3A 2B2 (Canada)); Audi, G. (ISOLDE Collaboration CERN, PPE-Division, CH-1211 Geneva (Switzerland))

    1992-12-01

    Ground and isomeric states of a nucleus have been resolved for the first time by mass spectrometry. Measurements on [sup 78]Rb[sup [ital m],][ital g] and [sup 84]Rb[sup [ital m],][ital g] were performed using a tandem Penning trap mass spectrometer on-line with the isotope separator ISOLDE/CERN. The effects of ion-ion interaction were investigated for two ion species differing in mass and stored simultaneously in the trap.

  14. Resolution of nuclear ground and isomeric states by a Penning trap mass spectrometer

    Science.gov (United States)

    Bollen, G.; Kluge, H.-J.; König, M.; Otto, T.; Savard, G.; Stolzenberg, H.; Moore, R. B.; Rouleau, G.; Audi, G.; ISOLDE Collaboration

    1992-12-01

    Ground and isomeric states of a nucleus have been resolved for the first time by mass spectrometry. Measurements on 78Rbm,g and 84Rbm,g were performed using a tandem Penning trap mass spectrometer on-line with the isotope separator ISOLDE/CERN. The effects of ion-ion interaction were investigated for two ion species differing in mass and stored simultaneously in the trap.

  15. 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.

  16. 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.

  17. DOE KSU EV Site Operator Program. [United States Department of Energy (DOE) Kansas State University (KSU) Electric Vehicle (EV)

    Energy Technology Data Exchange (ETDEWEB)

    Hague, J.R.; Steinert, R.A.; Nissen-Pfrang, T.

    1992-01-01

    Kansas State University, with funding from federal, state, public, and private companies, is participating in the DOE Electric Vehicle Site Operator Program. Kansas State is demonstrating, testing, and evaluating electric of hybrid vehicle technology. This will provide organizations the opportunity to examine the latest EHV prototypes under actual operating conditions. KSU proposes to purchase one (1) electric or hybrid van and four(4) electric cars during the first two years of this five-year program. KSU has purchased one G-Van built by Conceptor Industries, Toronto, Canada and has initiated a procurement order to purchase two (2) Soleq 1992 Ford EVcort station wagons. This quarter's report describes ongoing public relations activities and meetings as well as presenting performance data for the electric vehicles. (GHH)

  18. 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.

  19. Evidence for an isomeric 3/2{sup -} state in {sup 53}Co

    Energy Technology Data Exchange (ETDEWEB)

    Rudolph, D.; Hellstroem, M.; Andersson, L.L.; Fahlander, C.; Johansson, E.K. [Lund Universi2290628ty, Department of Physics, Lund (Sweden); Hoischen, R. [Lund University, Department of Physics, Lund (Sweden); Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Pietri, S.; Podolyak, Zs.; Regan, P.H.; Steer, S.J. [University of Surrey, Department of Physics, Guildford (United Kingdom); Garnsworthy, A.B. [University of Surrey, Department of Physics, Guildford (United Kingdom); Yale University, Wright Nuclear Structure Laboratory, New Haven, CT (United States); Becker, F.; Gerl, J.; Gorska, M.; Kojouharov, I.; Kurz, N.; Schaffner, H.; Wollersheim, H.J. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Bednarczyk, P.; Prokopowicz, W. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); The Henryk Niewodniczanski, Institute of Nuclear Physics (IFJ PAN), Krakow (Poland); Caceres, L. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain); Doornenbal, P. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Universitaet zu Koeln, Institut fuer Kernphysik, Koeln (Germany); Grebosz, J. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); The Henryk Niewodniczanski, Institute of Nuclear Physics (IFJ PAN), Krakow (Poland); Atanasova, L. [University of Sofia, Faculty of Physics, Sofia (Bulgaria); Balabanski, D.L. [University of Sofia, Faculty of Physics, Sofia (Bulgaria); Bulgarian Academy of Sciences, Institute for Nuclear Research and Nuclear Energy, Sofia (Bulgaria); Bentley, M.A.; Brown, J.R. [University of York, Department of Physics, York (United Kingdom); Blazhev, A. [Universitaet zu Koeln, Institut fuer Kernphysik, Koeln (Germany); Brandau, C. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); University of Surrey, Department of Physics, Guildford (United Kingdom)

    2008-05-15

    The fragmentation of a 550MeV/u primary beam of {sup 58}Ni on a {sup 9}Be target has been used to measure time- and energy-correlated {gamma} decays following the implantation of event-by-event discriminated secondary fragments into a {sup 9}Be stopper plate. A new isomeric {gamma} decay with T{sub 1/2}=14({sup 6}{sub 4}) ns and E{sub {gamma}}=646.2(2) keV is observed and attributed to the decay of the yrast 3/2{sup -} state in {sup 53}{sub 27}Co{sub 26}. This short-lived isomeric state has been populated by means of nuclear reactions during the stopping process of the secondary fragments. The experimental findings are discussed in the framework of large-scale spherical shell model calculations in conjunction with isospin symmetry-breaking residual interactions for the A=53, T{sub z}={+-}1/2 mirror nuclei {sup 53}Co and {sup 53}Fe. (orig.)

  20. Switching Process Consisting of Three Isomeric States of an Azobenzene Unit.

    Science.gov (United States)

    Adam, Abdulselam; Haberhauer, Gebhard

    2017-07-19

    Azobenzene and its derivatives are among the most commonly used switching units in organic chemistry. The switching process consists of two states, in which the trans isomer has a stretched and the cis isomer a compact form. Here, we have designed a system in which all isomeric states of an azobenzene moiety (trans → cis-(M) → cis-(P)) are passed step by step. The first step involves a change in the distance between the benzene units, which is common for azobenzene derivatives. In the second step an inversion of the helicity (M→P) of the cis azobenzene unit takes place. The third step leads back to the stretched trans isomer. This switching cycle is achieved by coupling the azobenzene unit with two chiral clamps and with a further azobenzene switching unit.

  1. Optimising production using the state-contingent approach versus the EV approach

    DEFF Research Database (Denmark)

    Rasmussen, Svend

    different types of utility functions, i.e. linear utility function, EV-utility function and a Cobb Douglas utility function based on state-contingent income measures. Monte Carlo simulation is carried out for various numbers of observations. Finally the results are compared to the true optimal choice...

  2. Thermoanalytical study of linkage isomerism in coordination compounds. Part III: A DSC study on the effect of counterion on the solid state isomerization of nitro and nitrito linkage isomers of pentaamminecobalt(III) complexes

    Energy Technology Data Exchange (ETDEWEB)

    Eslami, Abbas, E-mail: eslami@umz.ac.ir; Hasani, Nahid

    2014-01-10

    Graphical abstract: - Highlights: • The effect of counterion on solid state thermal isomerization of nitro and nitrito linkage isomers of pentaamminecobalt(III) complexes studied by DSC. • The different prepared salts of both isomers are in metastable state at room temperature which convert to an equilibrium stale state upon heating. • Change of the counterion affects thermodynamic parameters of the isomerization reaction, but the nitro isomer is always more stable than the nitrito one. • The kinetic parameters of the linkage isomerization depend significantly on the nature of the counterion. - Abstract: Solid state thermal interconversion of [Co(NH{sub 3}){sub 5}NO{sub 2}]X{sub 2} (nitro isomer) and [Co(NH{sub 3}){sub 5}ONO]X{sub 2} (nitrito isomer) complexes (X = Cl{sup −}, Br{sup −}, I{sup −}, PF{sub 6}{sup −}) was studied by DSC at several heating rates. The isomerization of pure sample of both isomers leads to an equilibrium stable state in which nitro and nitrito isomers are major and minor components, respectively. Change of the counterion affects thermodynamic parameters of the isomerization reaction, but the nitro isomer is always more stable than the nitrito one. The equilibrium constant (nitro to nitrito molar ratio) increases in the series Cl{sup −} ≈ Br{sup −} < PF{sub 6}{sup −} < I{sup −}. The kinetic parameters of isomerization of both isomers were determined by Kissinger method. It was founded that the rate of interconversion of different salts of both isomers decreases in the series Cl{sup −} > Br{sup −} > PF{sub 6}{sup −} > I{sup −}. The negative activation entropy supports an associative mechanism with a seven coordinate transition state in solid state.

  3. 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.)

  4. Identification of a millisecond isomeric state in Cd12981 via the detection of internal conversion and Compton electrons

    Science.gov (United States)

    Taprogge, J.; Jungclaus, A.; Grawe, H.; Nishimura, S.; Xu, Z. Y.; Doornenbal, P.; Lorusso, G.; Nácher, E.; Simpson, G. S.; Söderström, P.-A.; Sumikama, T.; 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.; 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.; Covello, A.; Daugas, J.-M.; Drouet, F.; Gadea, A.; Gargano, A.; Ilieva, S.; 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.

    2014-11-01

    The decay of an isomeric state in the neutron-rich nucleus 129Cd has been observed via the detection of internal conversion and Compton electrons providing first experimental information on excited states in this nucleus. The isomer was populated in the projectile fission of a 238U beam at the Radioactive Isotope Beam Factory at RIKEN. From the measured yields of γ-rays and internal conversion electrons, a multipolarity of E3 was tentatively assigned to the isomeric transition. A half-life of T1/2 = 3.6 (2) ms was determined for the new state which was assigned a spin of (21 /2+), based on a comparison to shell model calculations performed using state-of-the-art realistic effective interactions.

  5. Remarks to the problem of the isomeric state production in (gamma, gamma') reactions in the giant dipole resonance

    CERN Document Server

    Demekhina, N A; Karapetyan, G S

    2001-01-01

    The population of the isomeric states is considered in nuclei sup 1 sup 1 sup 5 In and sup 1 sup 8 sup 0 Hf in photonuclear (gamma, gamma') reactions at giant dipole resonance energies. The comparison with the earlier published experimental and theoretical data is made. The behavior of the excitation function gives an evidence for possible increase of the high-spin state population in the giant resonance range

  6. First Measurement of the g Factor in the Chiral Band: The Case of the Cs 128 Isomeric State

    Science.gov (United States)

    Grodner, E.; Srebrny, J.; Droste, Ch.; Próchniak, L.; Rohoziński, S. G.; Kowalczyk, M.; Ionescu-Bujor, M.; Ur, C. A.; Starosta, K.; Ahn, T.; Kisieliński, M.; Marchlewski, T.; Aydin, S.; Recchia, F.; Georgiev, G.; Lozeva, R.; Fiori, E.; Zielińska, M.; Chen, Q. B.; Zhang, S. Q.; Yu, L. F.; Zhao, P. W.; Meng, J.

    2018-01-01

    The g factor of the 56 ns half-life isomeric state in Cs 128 has been measured using the time-differential perturbed angular distribution method. This state is the bandhead of the positive-parity chiral rotational band, which emerges when an unpaired proton, an unpaired neutron hole, and an even-even core are coupled such that their angular momentum vectors are aplanar (chiral configuration). g -factor measurements can give important information on the relative orientation of the three angular momentum vectors. The measured g factor g =+0.59 (1 ) shows that there is an important contribution of the core rotation in the total angular momentum of the isomeric state. Moreover, a quantitative theoretical analysis supports the conclusion that the three angular momentum vectors lie almost in one plane, which suggests that the chiral configuration in Cs 128 demonstrated in previous works by characteristic patterns of electromagnetic transitions appears only above some value of the total nuclear spin.

  7. 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.

  8. Quadrupole moment of the 6{sup -} isomeric state in {sup 66}Cu: Interplay between different nuclear deformation driving forces

    Energy Technology Data Exchange (ETDEWEB)

    Lozeva, R.L., E-mail: Radomira.Lozeva@iphc.cnrs.f [CSNSM, Universite Paris-Sud 11, CNRS, IN2P3, F-91405 Orsay-Campus (France); IPHC, CNRS, IN2P3, F-67037 Strasbourg Cedex 2 (France); Balabanski, D.L. [INRNE, Bulgarian Academy of Sciences, BG-1784 Sofia (Bulgaria); Georgiev, G. [CSNSM, Universite Paris-Sud 11, CNRS, IN2P3, F-91405 Orsay-Campus (France); Daugas, J.-M.; Peru, S. [CEA, DAM, DIF, F-91297 Arpajon Cedex (France); Audi, G.; Cabaret, S. [CSNSM, Universite Paris-Sud 11, CNRS, IN2P3, F-91405 Orsay-Campus (France); Faul, T. [CEA, DAM, DIF, F-91297 Arpajon Cedex (France); Ferraton, M. [IPN, CNRS, IN2P3, F-91406 Orsay-Campus (France); Fiori, E.; Gaulard, C. [CSNSM, Universite Paris-Sud 11, CNRS, IN2P3, F-91405 Orsay-Campus (France); Ibrahim, F. [IPN, CNRS, IN2P3, F-91406 Orsay-Campus (France); Morel, P. [CEA, DAM, DIF, F-91297 Arpajon Cedex (France); Risegari, L. [CSNSM, Universite Paris-Sud 11, CNRS, IN2P3, F-91405 Orsay-Campus (France); Verney, D. [IPN, CNRS, IN2P3, F-91406 Orsay-Campus (France); Yordanov, D.T. [Max-Planck-Institut fuer Kernphysik, D-69117 Heidelberg (Germany)

    2011-01-03

    We have measured the spectroscopic quadrupole moment of the 6{sup -} isomeric state in {sup 66}Cu to be |Q{sub s}|=18.6(12) efm{sup 2}. This state results from a weak coupling of the {pi}p{sub 3/2} and the {nu}g{sub 9/2} orbitals, which lead to sizable deformation at oblate and prolate shapes, correspondingly, in the {sup 68}Ni region. The interplay between these two different deformation-driving orbitals is observed at N=37 for the 6{sup -} state resulting in a most probable oblate shape.

  9. 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...

  10. 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

  11. Rydberg and valence state excitation dynamics: a velocity map imaging study involving the E-V state interaction in HBr.

    Science.gov (United States)

    Zaouris, Dimitris; Kartakoullis, Andreas; Glodic, Pavle; Samartzis, Peter C; Rafn Hróðmarsson, Helgi; Kvaran, Ágúst

    2015-04-28

    Photoexcitation dynamics of the E((1)Σ(+)) (v' = 0) Rydberg state and the V((1)Σ(+)) (v') ion-pair vibrational states of HBr are investigated by velocity map imaging (VMI). H(+) photoions, produced through a number of vibrational and rotational levels of the two states were imaged and kinetic energy release (KER) and angular distributions were extracted from the data. In agreement with previous work, we found the photodissociation channels forming H*(n = 2) + Br((2)P3/2)/Br*((2)P1/2) to be dominant. Autoionization pathways leading to H(+) + Br((2)P3/2)/Br*((2)P1/2) via either HBr(+)((2)Π3/2) or HBr(+)*((2)Π1/2) formation were also present. The analysis of KER and angular distributions and comparison with rotationally and mass resolved resonance enhanced multiphoton ionization (REMPI) spectra revealed the excitation transition mechanisms and characteristics of states involved as well as the involvement of the E-V state interactions and their v' and J' dependence.

  12. 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.

  13. Reduced dimension rovibrational variational calculations of the S(1) state of C2H2. II. The S(1) rovibrational manifold and the effects of isomerization.

    Science.gov (United States)

    Changala, P Bryan; Baraban, Joshua H; Stanton, John F; Merer, Anthony J; Field, Robert W

    2014-01-14

    Reduced dimension variational calculations have been performed for the rovibrational level structure of the S1 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(-1) above the trans, and the barrier to cis-trans isomerization lies about 5000 cm(-1) above the trans minimum. The trans vibrations ν4 (torsion) and ν6 (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 x36 cross-anharmonicity since the pathway to isomerization is a combination of ν6 and ν3 (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.

  14. New training simulators of state-of-the-art coal fired power plants at KRAFTWERKSSCHULE E.V.; Neue Schulungssimulatoren moderner Kohlekraftwerke bei der KRAFTWERKSSCHULE E.V.

    Energy Technology Data Exchange (ETDEWEB)

    Kroeck, Martin; Fehse, Klaus; Nacke, Heinrich [Kraftwerksschule e.V., Essen (Germany)

    2008-07-01

    For more than 20 years, KRAFTWERKSSCHULE E.V. (KWS - PowerTech Training Center) operates training simulators for fossil-fired power plants at its Essen headquarters. In the course of the construction of the new 800 MW and 1100 MW high-efficiency power plants with hypercritical steam generators, a growing demand for - even multilingual - training of operator personnel from such plants at simulators is arising. Thus, new training simulators are being erected. (orig.)

  15. Full-dimensional quantum mechanics calculations for the spectroscopic characterization of the isomerization transition states of HOCO/DOCO systems.

    Science.gov (United States)

    Ma, Dandan; Ren, Haisheng; Ma, Jianyi

    2018-02-14

    Full-dimensional quantum mechanics calculations were performed to determine the vibrational energy levels of HOCO and DOCO based on an accurate potential energy surface. Almost all of the vibrational energy levels up to 3500 cm -1 from the vibrational ground state were assigned, and the calculated energy levels in this work are well in agreement with the reported results by Bowman. The corresponding full dimensional wavefunctions present some special features. When the energy level approaches the barrier height, the trans-HOCO and cis-HOCO states strongly couple through tunneling interactions, and the tunneling interaction and Fermi resonance were observed in the DOCO system. The energy level patterns of trans-HOCO, cis-HOCO and trans-DOCO provide a reasonable fitted barrier height using the fitting formula of Field et al., however, a discrepancy exists for the cis-DOCO species which is considered as a random event. Our full-dimensional calculations give positive evidence for the accuracy of the spectroscopic characterization model of the isomerization transition state reported by Field et al., which was developed from one-dimensional model systems. Furthermore, the special case of cis-DOCO in this work means that the isotopic substitution can solve the problem of the accidental failure of Field's spectroscopic characterization model.

  16. Identification of a millisecond isomeric state in {sup 129}Cd{sub 81} via the detection of internal conversion and Compton electrons

    Energy Technology Data Exchange (ETDEWEB)

    Taprogge, J. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Departamento de Física Teórica, Universidad Autónoma de Madrid, E-28049 Madrid (Spain); RIKEN Nishina Center, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Jungclaus, A., E-mail: andrea.jungclaus@csic.es [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Grawe, H. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Nishimura, S.; Xu, Z.Y.; Doornenbal, P.; Lorusso, G. [RIKEN Nishina Center, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Nácher, E. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Simpson, G.S. [LPSC, Université Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut National Polytechnique de Grenoble, F-38026 Grenoble cedex (France); Söderström, P.-A. [RIKEN Nishina Center, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Sumikama, T. [Department of Physics, Tohoku University, Aoba, Sendai, Miyagi 980-8578 (Japan); Baba, H. [RIKEN Nishina Center, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Browne, F. [School of Computing, Engineering and Mathematics, University of Brighton, Brighton BN2 4JG (United Kingdom); RIKEN Nishina Center, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Fukuda, N. [RIKEN Nishina Center, RIKEN, 2-1 Hirosawa, Wako-shi, Saitama 351-0198 (Japan); Gernhäuser, R. [Physik Department E12, Technische Universität München, D-85748 Garching (Germany); and others

    2014-11-10

    The decay of an isomeric state in the neutron-rich nucleus {sup 129}Cd has been observed via the detection of internal conversion and Compton electrons providing first experimental information on excited states in this nucleus. The isomer was populated in the projectile fission of a {sup 238}U beam at the Radioactive Isotope Beam Factory at RIKEN. From the measured yields of γ-rays and internal conversion electrons, a multipolarity of E3 was tentatively assigned to the isomeric transition. A half-life of T{sub 1/2}=3.6(2) ms was determined for the new state which was assigned a spin of (21/2{sup +}), based on a comparison to shell model calculations performed using state-of-the-art realistic effective interactions.

  17. Cis-trans isomerization in the S1 state of acetylene: identification of cis-well vibrational levels.

    Science.gov (United States)

    Merer, Anthony J; Steeves, Adam H; Baraban, Joshua H; Bechtel, Hans A; Field, Robert W

    2011-06-28

    A systematic analysis of the S(1)-trans (Ã(1)A(u)) state of acetylene, using IR-UV double resonance along with one-photon fluorescence excitation spectra, has allowed assignment of at least part of every single vibrational state or polyad up to a vibrational energy of 4200 cm(-1). Four observed vibrational levels remain unassigned, for which no place can be found in the level structure of the trans-well. The most prominent of these lies at 46 175 cm(-1). Its (13)C isotope shift, exceptionally long radiative lifetime, unexpected rotational selection rules, and lack of significant Zeeman effect, combined with the fact that no other singlet electronic states are expected at this energy, indicate that it is a vibrational level of the S(1)-cis isomer (Ã(1)A(2)). Guided by ab initio calculations [J. H. Baraban, A. R. Beck, A. H. Steeves, J. F. Stanton, and R. W. Field, J. Chem. Phys. 134, 244311 (2011)] of the cis-well vibrational frequencies, the vibrational assignments of these four levels can be established from their vibrational symmetries together with the (13)C isotope shift of the 46 175 cm(-1) level (assigned here as cis-3(1)6(1)). The S(1)-cis zero-point level is deduced to lie near 44 900 cm(-1), and the ν(6) vibrational frequency of the S(1)-cis well is found to be roughly 565 cm(-1); these values are in remarkably good agreement with the results of recent ab initio calculations. The 46 175 cm(-1) vibrational level is found to have a 3.9 cm(-1) staggering of its K-rotational structure as a result of quantum mechanical tunneling through the isomerization barrier. Such tunneling does not give rise to ammonia-type inversion doubling, because the cis and trans isomers are not equivalent; instead the odd-K rotational levels of a given vibrational level are systematically shifted relative to the even-K rotational levels, leading to a staggering of the K-structure. These various observations represent the first definite assignment of an isomer of acetylene

  18. Cis-trans isomerization in the S1 state of acetylene: Identification of cis-well vibrational levels

    Science.gov (United States)

    Merer, Anthony J.; Steeves, Adam H.; Baraban, Joshua H.; Bechtel, Hans A.; Field, Robert W.

    2011-06-01

    A systematic analysis of the S1-trans ({tilde A}1Au) state of acetylene, using IR-UV double resonance along with one-photon fluorescence excitation spectra, has allowed assignment of at least part of every single vibrational state or polyad up to a vibrational energy of 4200 cm-1. Four observed vibrational levels remain unassigned, for which no place can be found in the level structure of the trans-well. The most prominent of these lies at 46 175 cm-1. Its 13C isotope shift, exceptionally long radiative lifetime, unexpected rotational selection rules, and lack of significant Zeeman effect, combined with the fact that no other singlet electronic states are expected at this energy, indicate that it is a vibrational level of the S1-cis isomer ({tilde A}1A2). Guided by ab initio calculations [J. H. Baraban, A. R. Beck, A. H. Steeves, J. F. Stanton, and R. W. Field, J. Chem. Phys. 134, 244311 (2011)], 10.1063/1.3570823 of the cis-well vibrational frequencies, the vibrational assignments of these four levels can be established from their vibrational symmetries together with the 13C isotope shift of the 46 175 cm-1 level (assigned here as cis-3161). The S1-cis zero-point level is deduced to lie near 44 900 cm-1, and the ν6 vibrational frequency of the S1-cis well is found to be roughly 565 cm-1; these values are in remarkably good agreement with the results of recent ab initio calculations. The 46 175 cm-1 vibrational level is found to have a 3.9 cm-1 staggering of its K-rotational structure as a result of quantum mechanical tunneling through the isomerization barrier. Such tunneling does not give rise to ammonia-type inversion doubling, because the cis and trans isomers are not equivalent; instead the odd-K rotational levels of a given vibrational level are systematically shifted relative to the even-K rotational levels, leading to a staggering of the K-structure. These various observations represent the first definite assignment of an isomer of acetylene that was

  19. Estimation of state-of-charge of Li-ion batteries in EV using the genetic particle filter

    Science.gov (United States)

    Bi, Jun; Gao, Hang; Wang, Yongxing; Zhao, Xiaomei

    2017-08-01

    Estimating the state of charge (SOC) of electric vehicle (EV) batteries accurately and timely is of great significance to the safe trip of pure EV. Based on the nonlinear properties of the battery, and the standard particle filter (PF) has certain adaptability for this feature, so it can be used to accurately estimate the SOC of the batteries. However, the standard PF has particle degeneracy phenomenon, which will make the accuracy of prediction lower. Therefore, in this paper, the genetic algorithm is applied to the standard PF, and the estimation of SOC is optimized, which makes the improved filter algorithm more accurate. Based on the measured data of Beijing pure electric sanitation vehicle, an experiment is defined to verify the algorithm. The experimental results show that the genetic particle filter (GPF) can increase the diversity of particles and has better prediction accuracy and timeliness than the PF.

  20. Isomerization and fluorescence depolarization of merocyanine 540 ...

    Indian Academy of Sciences (India)

    isomerization i.e. cis–trans isomerization in excited electronic state, has been studied in a cyclodextrin cavity2, at the water surface 3,4, in the water pool of microemulsion 5, at micellar interface 6, lipids 7, sol–gel glass8 and polymer environments 9. Reorientational dynamics has been studied using fluorescence anisotropy ...

  1. 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.

  2. 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.

  3. g-factors of isomeric states in the neutron-rich nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Georgiev, G.; Daugas, J.M. [GANIL, BP 55027, F-14076, Caen Cedex 5 (France); IKS, University of Leuven, Celestijnenlaan 200 D, B-3001, Leuven (Belgium); Neyens, G. [GANIL, BP 55027, F-14076, Caen Cedex 5 (France); Hass, M. [Faculty of Physics, The Weizmann Institute of Science, 76100, Rehovot (Israel); Balabanski, D.L. [Department of Physics and Astronomy, University of Tennessee, TN 37996, Knoxville (United States); Faculty of Physics, St. Kliment Ohridski University of Sofia, BG-1164, Sofia (Bulgaria); Bingham, C. [Department of Physics and Astronomy, University of Tennessee, TN 37996, Knoxville (United States); Borcea, C. [IFIN, P.O. Box MG6, 76900, Bucharest-Magurele (Romania); Coulier, N.; Coussement, R. [IKS, University of Leuven, Celestijnenlaan 200 D, B-3001, Leuven (Belgium); De France, G.; Lewitowicz, M.; De Oliveira Santos, F. [GANIL, BP 55027, F-14076, Caen Cedex 5 (France); Gorska, M.; Grawe, H. [Geselschaft fuer Schwerionenforschung mbH, D-64291, Darmstadt (Germany); Grzywacz, R. [Department of Physics and Astronomy, University of Tennessee, TN 37996, Knoxville (United States); IEP, Warsaw University, Hoza 69, PL-00681, Warsaw (Poland); Mach, H. [Department of Radiation Sciences, ISV, Uppsala University, S-61182, Nykoeping (Sweden); Matea, I. [GANIL, BP 55027, F-14076, Caen Cedex 5 (France); IFIN, P.O. Box MG6, 76900, Bucharest-Magurele (Romania); Page, R.D. [Oliver Lodge Laboratory, University of Liverpool, L69 7ZE, Liverpool (United Kingdom); Pfuetzner, M. [IEP, Warsaw University, Hoza 69, PL-00681, Warsaw (Poland); Penionzhkevich, Yu.E. [Department of Physics, FLNR-JINR, 141980, Dubna, Moscow Region (Russian Federation); Podolyak, Z.; Regan, P.H.; Rykaczewski, K.; Sawicka, M.; Smirnova, N.A.; Sobolev, Yu.; Stanoiu, M.; Teughels, S.; Vyvey, K.

    2004-04-01

    We report the results from the first experiment to measure gyromagnetic factors of {mu}s isomers in neutron-rich nuclei produced by intermediate-energy projectile-fragmentation reactions. The Time Dependent Perturbed Angular Distribution (TDPAD) method was applied in combination with the heavy-ion-gamma correlation technique. The nuclides in the vicinity of {sup 68}Ni were produced and spin-oriented following the fragmentation of a {sup 76}Ge, 61.4 MeV/u beam at GANIL. The results obtained, vertical stroke g vertical stroke ({sup 69m}Cu)=0.225(25) and vertical stroke g vertical stroke ({sup 67m}Ni)=0.125(6) provide another indication of the importance of proton excitation across the Z=28 shell gap for the description of these states. (orig.)

  4. g-Factors of Isomeric States in the Neutron-Rich Nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Georgiev, G. [Grand Accelerateur National d' Ions Lourds (GANIL); Neyens, G. [Grand Accelerateur National d' Ions Lourds (GANIL); Hass, M. [Weizmann Institute of Science, Rehovot, Israel; Balabanski, Dimiter Loukanov [ORNL; Bingham, Carrol R [ORNL; Borcea, C. [IFIN, Bucharest-Magurele, Romania; Coulier, N. [University of Leuven; Coussenment, R. [University of Leuven; Daugas, J. M. [Grand Accelerateur National d' Ions Lourds (GANIL); De France, Gilles M [ORNL; Gorska, M. [Gesellschaft fur Schwerionenforschung (GSI), Germany; Grawe, Hubert H [ORNL; Grzywacz, Robert Kazimierz [ORNL; Lewitowicz, Marek [ORNL; Mach, Henryk A [ORNL; Matea, I. [Grand Accelerateur National d' Ions Lourds (GANIL); de Oliveira Santos, F. [Grand Accelerateur National d' Ions Lourds (GANIL); Page, R. D. [University of Liverpool; Pfutzner, Marek [ORNL; Penionzhkevich, Yu. E. [FLNR-JINR, Russia; Podolyak, Zsolt F [ORNL; Regan, Patrick H [ORNL; Rykaczewski, Krzysztof Piotr [ORNL; Sawicka, M. [University of Warsaw; Smirnova, N. A. [Grand Accelerateur National d' Ions Lourds (GANIL); Sobolev, Yu. [FLNR-JINR, Russia; Stanoiu, M. [Grand Accelerateur National d' Ions Lourds (GANIL); Teughels, S. [University of Leuven; Vyvey, K. [University of Leuven

    2004-02-01

    We report the results from the first experiment to measure gyromagnetic factors of {micro}s isomers in neutron-rich nuclei produced by intermediate-energy projectile-fragmentation reactions. The Time Dependent Perturbed Angular Distribution (TDPAD) method was applied in combination with the heavy-ion-gamma correlation technique. The nuclides in the vicinity of {sup 68}Ni were produced and spin-oriented following the fragmentation of a {sup 76}Ge, 61.4 MeV/ u beam at GANIL. The results obtained, |g|({sup 69 m}Cu) = 0.225(25) and |g|({sup 67 m}Ni) = 0.125(6) provide another indication of the importance of proton excitation across the Z = 28 shell gap for the description of these states.

  5. Scattering of 4.5 eV electrons by ground /x 3 Sigma g minus/ state and metastable /a 1 Delta g/ oxygen molecules

    Science.gov (United States)

    Hall, R. I.; Trajmar, S.

    1975-01-01

    The paper reports on differential and integral cross sections for scattering of 4.5 eV electrons by ground state (x 3 Sigma g minus) and metastable (a 1 Delta g) oxygen molecules in the -2.0 eV to plus 2.0 eV energy loss range. The cross section for the (a 1 Delta g to b 1 Sigma g plus) transition was found to be more than an order of magnitude larger than that of the excitation of the b state from the ground state. It was found that the principle of detailed balance can be applied to the rotationally unresolved inelastic and superelastic electronic transitions between the (x 3 Sigma g minus) and (a 1 Delta g) states, which indicates that for this transition one may neglect the very different rotational level structure of the two states in estimating superelastic cross section from inelastic data to an accuracy of about 15 per cent.

  6. Isomerization of sugars

    Science.gov (United States)

    Moliner-Marin, Manuel; Roman-Leshkov, Yuriy; Davis, Mark E; Nikolla, Eranda

    2014-05-20

    Disclosed are processes for isomerizing saccharides. Also disclosed are processes for converting saccharides to furan derivatives. Also disclosed are processes for converting starch to furan derivatives.

  7. 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.

  8. E/V Nautilus Mapping and ROV Dives Reveal Hundreds of Vents along the West Coast of the United States

    Science.gov (United States)

    Kane, R.; Raineault, N.; Embley, R. W.; Merle, S. G.; Girguis, P. R.; Irish, O.; Lubetkin, M.; German, C. R.; Levin, L. A.; Cormier, M. H.; Caldow, C.; Freedman, R.; Gee, L.

    2016-12-01

    The Exploration Vessel (E/V) Nautilus has mapped more than 30,000 km2 of seafloor off the west coast of the United States between July 2015 and September 2016. The 30 kHz EM302 multibeam mapping system collects water column data in addition to bathymetry and backscatter. Examination of the water column data revealed hundreds of distinct vertical features, presumably plumes of methane gas released from the seafloor. While seafloor reservoirs of methane are thought to contribute 5-10% of the global discharge, inventories of seafloor methane seeps are poorly constrained due to the lack of data such as the distribution and abundance of seafloor gas plumes. The results of mapping efforts reveal an unexpected number of methane seeps. ROV dives were then used to provide geological context to the seeps and associated unique biological communities. Altogether these findings contribute significantly to our baseline inventory of seeps along the continental margins of the United States. The presence of unexpectedly large numbers of methane seeps on the US Pacific, Gulf and Atlantic margins may influence the management of human extraction activities on the margin seabed.

  9. High Photon Flux 70 eV HHG Source for Applications in Molecular and Solid State Physics

    OpenAIRE

    Hädrich, Steffen; Rothhardt, Jan; Tünnermann, A.; Boll, Rebecca; Bomme, Cedric; Dachraoui, Hatem; Erk, Benjamin; Fraia, Michele Di; Horke, Daniel; Kierspel, Thomas; Mullins, Terence; Przystawik, Andreas; Klas, R.; Savelyev, Evgeny; Wiese, Joss

    2016-01-01

    A 100 kHz high harmonic source with record high >10$^{11}$ photons/s in single harmonics between 55-73 eV is presented. The unique capabilities are underlined by using it for coincidence experiments and measurements on magnetic samples.

  10. Isotopic and quantum-rovibrational-state effects for the ion-molecule reaction in the collision energy range of 0.03-10.00 eV.

    Science.gov (United States)

    Xu, Yuntao; Xiong, Bo; Chang, Yih Chung; Ng, C Y

    2017-03-29

    We report detailed quantum-rovibrational-state-selected integral cross sections for the formation of H3O+via H-transfer (σHT) and H2DO+via D-transfer (σDT) from the reaction in the center-of-mass collision energy (Ecm) range of 0.03-10.00 eV, where (vvv) = (000), (100), and (020) and . The Ecm inhibition and rotational enhancement observed for these reactions at Ecm < 0.5 eV are generally consistent with those reported previously for H2O+ + H2(D2) reactions. However, in contrast to the vibrational inhibition observed for the latter reactions at low Ecm < 0.5 eV, both the σHT and σDT for the H2O+ + HD reaction are found to be enhanced by (100) vibrational excitation, which is not predicted by the current state-of-the-art theoretical dynamics calculations. Furthermore, the (100) vibrational enhancement for the H2O+ + HD reaction is observed in the full Ecm range of 0.03-10.00 eV. The fact that vibrational enhancement is only observed for the reaction of H2O+ + HD, and not for H2O+ + H2(D2) reactions suggests that the asymmetry of HD may play a role in the reaction dynamics. In addition to the strong isotopic effect favoring the σHT channel of the H2O+ + HD reaction at low Ecm < 0.5 eV, competition between the σHT and σDT of the H2O+ + HD reaction is also observed at Ecm = 0.3-10.0 eV. The present state-selected study of the H2O+ + HD reaction, along with the previous studies of the H2O+ + H2(D2) reactions, clearly shows that the chemical reactivity of H2O+ toward H2 (HD, D2) depends not only on Ecm, but also on the rotational and vibrational states of H2O+(X2B1). The detailed σHT and σDT values obtained here with single rovibrational-state selections of the reactant H2O+ are expected to be valuable benchmarks for state-of-the-art theoretical calculations on the chemical dynamics of the title reaction.

  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. Kinetics of Levoglucosenone Isomerization.

    Science.gov (United States)

    Krishna, Siddarth H; Walker, Theodore W; Dumesic, James A; Huber, George W

    2017-01-10

    We studied the acid-catalyzed isomerization of levoglucosenone (LGO) to 5-hydroxymethylfurfural (HMF) and developed a reaction kinetics model that describes the experimental data across a range of conditions (100-150 °C, 50-100 mm H2 SO4 , 50-150 mm LGO). LGO and its hydrated derivative exist in equilibrium under these reaction conditions. Thermal and catalytic degradation of HMF are the major sources of carbon loss. Within the range of conditions studied, higher temperatures and shorter reaction times favor the production of HMF. The yields of HMF and levulinic acid decrease monotonically as tetrahydrofuran is added to the aqueous solvent system, indicating that water plays a role in the LGO isomerization reaction. Initial-rate analyses show that HMF is produced solely from LGO rather than from the hydrated derivative of LGO. The results of this study are consistent with a mechanism for LGO isomerization that proceeds through hydration of the anhydro bridge, followed by ring rearrangement analogous to the isomerization of glucose to fructose. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Rainbows and glories in the angular scattering of the state-to-state F + H2 reaction at E(trans)=0.04088 eV.

    Science.gov (United States)

    Xiahou, Chengkui; Connor, J N L; Zhang, Dong H

    2011-07-28

    State-of-the-art differential cross sections (DCSs) have been reported by Wang et al. [Proc. Nat. Acad. Sci. (U.S.), 2008, 105, 6227] for the state-to-state F + H(2)→ FH + H reaction using fully quantum-state-selected crossed molecular beams. We theoretically analyze the angular scattering of this reaction, in order to quantitatively understand the physical content of structure in the DCSs. Three transitions are studied, v(i)=0, j(i)=0, m(i)=0 → v(f)=3, j(f)=0, 1, 2, m(f)=0 at a translational energy of 0.04088 eV, where v, j, m are the vibrational, rotational and helicity quantum numbers respectively for the initial and final states. The input to our analyses consists of accurate quantum scattering (S) matrix elements computed for the Fu-Xu-Zhang potential energy surface, as used by Wang et al. in a computational simulation of their experimental DCSs. We prove that the pronounced peak at forward angles observed in the experimental and simulated DCSs for all three transitions is a glory. At larger angles, it is demonstrated that the 000 → 300 and 000 → 310 DCSs both possess a broad farside rainbow, which is accompanied by diffraction oscillations. We confirm the conjecture of Wang et al. that these diffraction oscillations arise from nearside-farside (NF) interference. We find that the reaction is N dominant for all three transitions. The theoretical techniques used to analyze the angular scattering include uniform semiclassical theories of glory and of rainbow scattering. We also make the first application of a semiclassical formula that is uniform for both glory + rainbow scattering. In addition, structure in the DCSs is analyzed using NF theory and local angular momentum theory, in both cases with three resummations of the partial wave series for the scattering amplitude. We make the first explicit application of the Thiele rational interpolation formula to extract the position and residue of the leading Regge pole from a set of S matrix elements, thereby

  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. 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.

  16. Ground state isomerism in betacarboline hydrogen bond complexes: The charge transfer nature of its large Stokes shifted emission

    Science.gov (United States)

    Sánchez-Coronilla, Antonio; Balón, Manuel; Muñoz, María A.; Hidalgo, José; Carmona, Carmen

    2008-07-01

    The hydrogen bonding and excited state proton transfer reactions between betacarboline, 9 H-pyrido[3,4- b]indole, BC, and 1,1,1,3,3,3-hexafluoropropan-2-ol, HFIP, have been studied in the aprotic solvents cyclohexane and toluene by absorption, steady state and time resolved fluorescence measurements. On the basis of these results and those of previous works (Refs. [A. Sánchez-Coronilla, C. Carmona, M.A. Muñoz, M. Balón, Chem. Phys., 327 (2006) 70] and [A. Sánchez-Coronilla, M. Balón, M.A. Muñoz, C. Carmona, Chem. Phys. 344 (2008) 72]) two main fundamental conclusions can be drawn on the photophysical behaviour of BC. Thus, it is shown, for the first time, that the non-cyclic double hydrogen bond complexes formed through both nitrogen atoms of BC, DHB, can suffer, in their ground state, an isomerisation process. These adducts acquire a quinoid structure in cyclohexane, but maintain a dipolar zwitterionic structure in toluene. Moreover, it is concluded that the observed large Stokes shifted emission, around 520 nm, is not due, as it has been so far generally accepted, to the emission of a BC zwitterionic phototautomer, but to the intramolecular charge transfer, ICT, excited state emissions of the DHB hydrogen bond adducts.

  17. g-factor of the 9/2{sup +} isomeric state in {sup 65}Ni from transfer reaction

    Energy Technology Data Exchange (ETDEWEB)

    Georgiev, G. [GANIL, Caen (France); CERN, Geneva (Switzerland); Matea, I. [GANIL, Caen (France); CENBG, Bordeaux-Gradignan (France); Balabanski, D.L. [Bulgarian Aacemay of Sciences, Sofia (Bulgaria). INRNE; Univ. of Sofia (Bulgaria); Univ. di Camerino (Italy). Dipt. di Fisica; INFN, Perugia (Italy); Daugas, J.M.; Meot, V.; Morel, P. [CEA/DIF/DPTA/PN, BP12, Bruyeres le Chatel (France); Oliveira Santos, F. de; Lewitowicz, M. [GANIL, BP 55027, Caen Cedex 5 (France); Franchoo, S.; Ibrahim, F.; Le Blanc, F.; Sorlin, O.; Stanoiu, M.; Verney, D. [IPN, Orsay Cedex (France); Lo Bianco, G.; Saltarelli, A. [Univ. di Camerino (Italy). Dipt. di Fisica; INFN, Perugia (Italy); Lukyanov, S.; Penionzhkevich, Yu.E. [FLNR-JINR, Department of Physics, Dubna, Moscow Region (Russian Federation); Neyens, G.; Vermeulen, N.; Yordanov, D. [IKS, K.U. Leuven, Leuven (Belgium); Tarisien, M. [CEA/DIF/DPTA/PN, Bruyeres le Chatel (France); CENBG, Bordeaux-Gradignan (France)

    2006-11-15

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

  18. 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...... tautomeric system has been determined; the aci-nitromethane tautomer was found to be the more stable species by ca. 0. 95 eV. Attempts to generate the neutral gaseous aci-nitromethane tautomer by low pressure pyrolysis are summarized....

  19. 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

  20. Isomerization dynamics of a buckled nanobeam.

    Science.gov (United States)

    Collins, Peter; Ezra, Gregory S; Wiggins, Stephen

    2012-11-01

    We analyze the dynamics of a model of a nanobeam under compression. The model is a two-mode truncation of the Euler-Bernoulli beam equation subject to compressive stress applied at both ends. We consider parameter regimes where the first mode is unstable and the second mode can be either stable or unstable, and the remaining modes (neglected) are always stable. Material parameters used correspond to a silicon nanobeam. The two-mode model Hamiltonian is the sum of a (diagonal) kinetic energy term and a potential energy term. The form of the potential energy function suggests an analogy with isomerization reactions in chemistry, where "isomerization" here corresponds to a transition between two stable beam configurations. We therefore study the dynamics of the buckled beam using the conceptual framework established for the theory of isomerization reactions. When the second mode is stable the potential energy surface has an index one saddle, and when the second mode is unstable the potential energy surface has an index two saddle and two index one saddles. Symmetry of the system allows us to readily construct a phase space dividing surface between the two "isomers" (buckled states); we rigorously prove that, in a specific energy range, it is a normally hyperbolic invariant manifold. The energy range is sufficiently wide that we can treat the effects of the index one and index two saddles on the isomerization dynamics in a unified fashion. We have computed reactive fluxes, mean gap times, and reactant phase space volumes for three stress values at several different energies. In all cases the phase space volume swept out by isomerizing trajectories is considerably less than the reactant density of states, proving that the dynamics is highly nonergodic. The associated gap time distributions consist of one or more "pulses" of trajectories. Computation of the reactive flux correlation function shows no sign of a plateau region; rather, the flux exhibits oscillatory decay

  1. Probing cis-trans isomerization in the S1 state of C2H2 via H-atom action and hot band-pumped IR-UV double resonance spectroscopies

    Science.gov (United States)

    Changala, P. Bryan; Baraban, Joshua H.; Merer, Anthony J.; Field, Robert W.

    2015-08-01

    We report novel experimental strategies that should prove instrumental in extending the vibrational and rotational assignments of the S1 state of acetylene, C2H2, in the region of the cis-trans isomerization barrier. At present, the assignments are essentially complete up to ˜500 cm-1 below the barrier. Two difficulties arise when the assignments are continued to higher energies. One is that predissociation into C2H + H sets in roughly 1100 cm-1 below the barrier; the resulting quenching of laser-induced fluorescence (LIF) reduces its value for recording spectra in this region. The other difficulty is that tunneling through the barrier causes a staggering in the K-rotational structure of isomerizing vibrational levels. The assignment of these levels requires data for K values up to at least 3. Given the rotational selection rule K' - ℓ'' = ± 1, such data must be obtained via excited vibrational levels of the ground state with ℓ'' > 0. In this paper, high resolution H-atom resonance-enhanced multiphoton ionization spectra are demonstrated to contain predissociated bands which are almost invisible in LIF spectra, while preliminary data using a hyperthermal pulsed nozzle show that ℓ'' = 2 states can be selectively populated in a jet, giving access to K' = 3 states in IR-UV double resonance.

  2. Isomeric ratio measurements with the ILL LOHENGRIN spectrometer

    Directory of Open Access Journals (Sweden)

    Chebboubi A.

    2016-01-01

    Full Text Available The modelling of γ heating and neutron damage inside a nuclear reactor is essential to design the next generation of nuclear reactors. The determination of the fission fragment momentum is a key element to perform accurate calculations of the γ heating. One way to assess this information is to look at the isomeric ratio of different nuclei. According to the lifetime of the isomeric state, different experimental techniques were developed at the LOHENGRIN spectrometer. A focus on the measurement of isomeric ratios of 136I in neutron induced fission of 241Pu is presented. A discussion with the current assumptions used in the evaluation process for isomeric ratio is also shown.

  3. 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...

  4. Development of Complex Mathematical Model of Light Naphtha Isomerization and Rectification Processes

    OpenAIRE

    Chuzlov, Viacheslav A.; Chekantsev, Nikita V.; Ivanchina, Emilia D.

    2014-01-01

    The technique of developing a mathematical model of catalytic isomerization of light naphtha is stated Using experimental data from an industrial isomerization unit shows adequacy of the mathematical model to the real process. The paper presents a method for optimizing the operation of the plant together with catalytic isomerization unit and separation columns. Selection of optimal modes of separation columns allows achieving the desired flow separation between units, as well as extension of ...

  5. Markets Share Models for EVs

    DEFF Research Database (Denmark)

    Jensen, Thomas Christian; Christensen, Linda

    new cars to 95 g/km on average in 2020. The energy agreement from March 2012 states that the transport sec-tor is facing a radical change from fossil fuels to electricity and bio-mass in the long run. Here, the target for 2020 is 10% bio-fuels in 2020 and the tax exemption for EVs is prolonged...... of a logit choice model and based on the estimated parameters a simulation model is set up. The model will be available for assessing different scenarios and forecasts of the sales of EVs under different assumptions of prices of the cars, life-time of batteries, the operations costs, the driving range......-tion potential. The recent development has increased the knowledge of costs of stations and cars, but the knowledge of the market potential of EVs is still limited. In the traffic agreement of January 2009 electric vehicles were highlighted as part of the solution for future CO2 problems. Here, the target...

  6. A Comparative Account of the Kinetics of Light-Induced E-Z Isomerization of an Anthracene-Based Organogelator in Sol, Gel, Xerogel, and Powder States: Fiber to Crystal Transformation.

    Science.gov (United States)

    Mondal, Sanjoy; Chakraborty, Priyadarshi; Das, Sujoy; Bairi, Partha; Nandi, Arun K

    2016-05-31

    The organogel of (E)-N'-(anthracene-10-ylmethylene)-3,4,5-tris(dodecyloxy)benzohydrazide (I) in methyl cyclohexane having a fibrillar network structure exhibits excellent fluorescence, which decreases sharply with time upon photoirradiation at λ = 365 nm. It has been attributed to the transformation of the E isomer of I to the Z isomer, and the kinetics of E-Z isomerization are compared for the sol, gel, xerogel, and powder states. The rate constants at different temperatures are measured from Avrami plots and its increase with an increase in temperature, indicating temperature acts as a promoter for photoirradiated E-Z isomeization along the imine (C═N) bond. In the powder form, the rate constant values are the lowest compared to those of other states for all temperatures and the xerogels exhibit the highest rate of E-Z isomerization. The rate constants of sol and gel states mostly lie between the two. The wide-angle X-ray scattering pattern changes after ultraviolet (UV) irradiation with the generation of new sharp peaks whose intensities increase with an increase in irradiation time. A polarized optical microscopic study indicates formation of small crystalline dots on the fibers in the gels, dendritic morphology on the xerogel fibers, and large needlelike morphology at the surface boundary of the solid. The dried I gel exhibits a melting peak at 96.7 °C, but upon irradiation, two peaks are observed at 98.5 and 152.7 °C; the latter has been attributed to the melting of crystals of Z isomers. Similar higher melting peaks are observed both for the xerogel and for powders after UV irradiation; the powders exhibit the highest meting peak at 159.4 °C. Possible reasons for the variation of rate constant values in the four different states and the difference in morphology and melting points of crystals of Z isomers of I are discussed.

  7. Isomeric decay spectroscopy of the Bi217 isotope

    Science.gov (United States)

    Gottardo, A.; Valiente-Dobón, J. J.; Benzoni, G.; Lunardi, S.; Gadea, A.; Algora, A.; Al-Dahan, N.; de Angelis, G.; Ayyad, Y.; Bazzacco, D.; Benlliure, J.; Boutachkov, P.; Bowry, M.; Bracco, A.; Bruce, A. M.; Bunce, M.; Camera, F.; Casarejos, E.; Cortes, M. L.; Crespi, F. C. L.; Corsi, A.; Denis Bacelar, A. M.; Deo, A. Y.; Domingo-Pardo, C.; Doncel, M.; Engert, T.; Eppinger, K.; Farrelly, G. F.; Farinon, F.; Farnea, E.; Geissel, H.; Gerl, J.; Goel, N.; Górska, M.; Grebosz, J.; Gregor, E.; Habermann, T.; Hoischen, R.; Janik, R.; John, P. R.; Klupp, S.; Kojouharov, I.; Kurz, N.; Lenzi, S. M.; Leoni, S.; Mandal, S.; Menegazzo, R.; Mengoni, D.; Million, B.; Modamio, V.; Morales, A. I.; Napoli, D. R.; Naqvi, F.; Nicolini, R.; Nociforo, C.; Pfützner, M.; Pietri, S.; Podolyák, Zs.; Prochazka, A.; Prokopowicz, W.; Recchia, F.; Regan, P. H.; Reed, M. W.; Rudolph, D.; Sahin, E.; Schaffner, H.; Sharma, A.; Sitar, B.; Siwal, D.; Steiger, K.; Strmen, P.; Swan, T. P. D.; Szarka, I.; Ur, C. A.; Walker, P. M.; Weick, H.; Wieland, O.; Wollersheim, H.-J.

    2014-09-01

    The structure of the neutron-rich bismuth isotope Bi217 has been studied for the first time. The fragmentation of a primary U238 beam at the FRS-RISING setup at GSI was exploited to perform γ-decay spectroscopy, since μs isomeric states were expected in this nucleus. Gamma rays following the decay of a t1/2=3 μs isomer were observed, allowing one to establish the low-lying structure of Bi217. The level energies and the reduced electric quadrupole transition probability B (E2) from the isomeric state are compared to large-scale shell-model calculations.

  8. 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

  9. Model studies on the photosensitized isomerization of bixin.

    Science.gov (United States)

    Montenegro, Mariana A; Rios, Alessandro de O; Mercadante, Adriana Z; Nazareno, Mónica A; Borsarelli, Claudio D

    2004-01-28

    The photosensitized isomerization reaction of the natural cis carotenoid bixin (methyl hydrogen 9'-cis-6, 6'-diapocarotene-6, 6'-dioate) with rose bengal or methylene blue as the sensitizer in acetonitrile/methanol (1:1) solution was studied using UV-vis spectroscopy, high-performance liquid chromatography (HPLC), and time-resolved spectroscopic techniques, such as laser-flash photolysis and singlet oxygen phosphorescence detection. In both N(2)- and air-saturated solutions, the main product formed was all-trans-bixin. The observed isomerization rate constants, k(obs), decreased in the presence of air or with increase in the bixin concentration, suggesting the participation of the excited triplet state of bixin, (3)Bix, as precursor of the cis--> trans process. On the other hand, bixin solutions in the absence of sensitizer and/or light did not degrade, indicating that the ground state of bixin is stable to thermal isomerization at room temperature. Time-resolved spectroscopic experiments confirmed the formation of the excited triplet state of bixin and its deactivation by ground state bixin and molecular oxygen quenching processes. The primary isomerization products only degraded in the presence of air and under prolonged illumination conditions, probably due to the formation of oxidation products by reaction with singlet molecular oxygen. An energy-transfer mechanism was used to explain the observed results for the bixin transformations, and the consequences for food color are discussed.

  10. Theoretical aspects of cephalosporin isomerism

    Energy Technology Data Exchange (ETDEWEB)

    Pop, E.; Brewster, M.E.; Bodor, N. (Pharmatec, Inc., Alachua, FL (USA) Univ. of Florida, Gainesville (USA)); Kaminski, J.J. (Schering-Plough Corp., Bloomfield, NJ (USA))

    1989-01-01

    The {triangle}{sup 3} double bond of cephalosporins isomerizes to the {triangle}{sup 2} position, resulting in biological inactivation of these antibiotics. This phenomenon occurs slowly in the case of cephalosporanic acids, but is rapid when the 4-carboxylate moiety is esterified or otherwise derivatized, leading to an equilibrium between the {triangle}{sup 2} and {triangle}{sup 3} forms. A theoretical study of this isomerization is described in the framework of two semiempirical all-valence electron molecular orbital (MO) approximations, namely MNDO and AMI. Specifically, the methyl ester and free carboxylate derivatives of both the {triangle}{sup 3} and {triangle}{sup 2} isomers of 7-phenylacetamidocephalosporin were studied. The results obtained indicated that the {triangle}{sup 3} derivatives were thermodynamically more stable than were the {triangle}{sup 2} isomers both in the case of the free acids and methyl esters. These data are consistent with experimental findings and suggest that the more rapid isomerization demonstrated in the case of the esters is due primarily to kinetic rather than to thermodynamic factors. Examination of the calculated molecular structures lend support to various theories that correlate the inactivity of the {triangle}{sup 2} isomers with spatial considerations and the degree of {beta}-lactam amide resonance.

  11. A quantum-rovibrational-state-selected study of the reaction in the collision energy range of 0.05-10.00 eV: translational, rotational, and vibrational energy effects.

    Science.gov (United States)

    Xu, Yuntao; Xiong, Bo; Chang, Yih-Chung; Pan, Yi; Lo, Po Kam; Lau, Kai Chung; Ng, C Y

    2017-04-12

    We report detailed absolute integral cross sections (σ's) for the quantum-rovibrational-state-selected ion-molecule reaction in the center-of-mass collision energy (Ecm) range of 0.05-10.00 eV, where (vvv) = (000), (100), and (020), and . Three product channels, HCO+ + OH, HOCO+ + H, and CO+ + H2O, are identified. The measured σ(HCO+) curve [σ(HCO+) versus Ecm plot] supports the hypothesis that the formation of the HCO+ + OH channel follows an exothermic pathway with no potential energy barriers. Although the HOCO+ + H channel is the most exothermic, the σ(HOCO+) is found to be significantly lower than the σ(HCO+). The σ(HOCO+) curve is bimodal, indicating two distinct mechanisms for the formation of HOCO+. The σ(HOCO+) is strongly inhibited at Ecm 0.4 eV by (100) vibrational excitation. The Ecm onsets of σ(CO+) determined for the (000) and (100) vibrational states are in excellent agreement with the known thermochemical thresholds. This observation, along with the comparison of the σ(CO+) curves for the (100) and (000) states, shows that kinetic and vibrational energies are equally effective in promoting the CO+ channel. We have also performed high-level ab initio quantum calculations on the potential energy surface, intermediates, and transition state structures for the titled reaction. The calculations reveal potential barriers of ≈0.5-0.6 eV for the formation of HOCO+, and thus account for the low σ(HOCO+) and its bimodal profile observed. The Ecm enhancement for σ(HOCO+) at Ecm ≈ 0.5-5.0 eV can be attributed to the direct collision mechanism, whereas the formation of HOCO+ at low Ecm < 0.4 eV may involve a complex mechanism, which is mediated by the formation of a loosely sticking complex between HCO+ and OH. The direct collision and complex mechanisms proposed also allow the rationalization of the vibrational inhibition at low Ecm and the vibrational enhancement at high Ecm observed for the σ(HOCO+).

  12. 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...

  13. Isomerization and fluorescence depolarization of merocyanine 540 ...

    Indian Academy of Sciences (India)

    It is observed that the dynamics of isomerization and depolarization are sensitive enough to monitor the uncoiling of PAA at high H (> 6). At low H (< 3), when the polymer remains in a hypercoiled form, polymer bound MC540 experiences very high microscopic friction and, hence, the isomerization and depolarization ...

  14. 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.)

  15. Isomerization of ceftibuten in aqueous solution.

    Science.gov (United States)

    Hashimoto, N; Hirano, K

    1998-09-01

    The isomerization reactions of ceftibuten and ceftibuten-related compounds in aqueous solution were investigated to estimate the substitution effect on the isomerization reaction and identify the three proximal dissociation constants of ceftibuten kinetically from the pH-rate profiles. The isomerization reaction of ceftibuten-related compounds was influenced by the substituents near the double bond at the C7-side chain, and the electron-withdrawing substituent was found to increase the isomerization rate. Ceftibuten isomerized at the C7-side chain, and the isomerization rate was influenced by the dissociation of the C7-side chain carboxylic acid and aminothiazole in the acidic pH region. The dissociation constants of ceftibuten were assigned by comparing the isomerization rates of ceftibuten with its related compounds at various pH conditions, and the pKas 2.3, 3.2, and 4.5 were attributed to the 4-carboxylic acid, 7-carboxylic acid, and 7-aminothiazole, respectively.

  16. 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

  17. Digitaliseerimise demopäev

    Index Scriptorium Estoniae

    1999-01-01

    8. XI tarbekunstimuuseumis, 10. XI rahvusraamatukogus digitaliseerimise demopäev koostöös OÜ Art Digitali, Eesti Kultuuriministeeriumi, Tarbekunstimuuseumi ja Eesti Rahvusraamatukoguga. OÜ Art Digital (asutasid 1998. a. Rein Tammik, Mauri Gross) skaneeris 1999. a. suvel Eesti Kunstimuuseumis 2400 graafilist lehte ja maali. Eesti digikeskuse loomisest, ülesannetest

  18. Isomerization and fluorescence characteristics of sterically hindered azobenzene derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Han, Mina, E-mail: mrhan@echem.titech.ac.j [Flucto-Order Functions Asian Collaboration Team, RIKEN Advanced Science Institute, RIKEN 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan)] [Department of Electronic Chemistry, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Ishikawa, Daisuke [Department of Electronic Chemistry, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan); Muto, Emi [Faculty of Education and Integrated Arts and Sciences, Waseda University, 1-6-1 Nishi-Waseda, Shinjuku, Tokyo 169-8050 (Japan); Hara, Masahiko [Flucto-Order Functions Asian Collaboration Team, RIKEN Advanced Science Institute, RIKEN 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan)] [Department of Electronic Chemistry, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8502 (Japan)

    2009-10-15

    We report synthesis and isomerization behaviors of sterically hindered azobenzene derivatives (1 and 2) with decyloxy and hydroxy groups, respectively, and their fluorescence enhancement under UV light irradiation characterized by means of absorption and fluorescence spectroscopy measurements. Upon irradiation of as-prepared solution (1) with UV light (approx200 mJ/cm{sup 2}) a cis-rich photostationary state was reached. Obviously different from 2 showing very fast thermal cis-to-trans isomerization within 2 min, slow cis-to-trans thermal back isomerization of 1 with a long alkyl chain at ambient temperature was observed on the time scale of weeks. In contrast to no striking changes in absorption and fluorescence spectra of compound 2, the azobenzene 1 showed green fluorescence upon prolonged irradiation with UV light (about 3-8 J/cm{sup 2} exposure doses), although both the initial trans-rich and cis-rich states of azobenzene molecules were not fluorescent in solution. The stability of fluorescence efficiency caused by drying and redissolving processes was examined.

  19. 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.

  20. State-to-state vacuum ultraviolet photodissociation study of CO2 on the formation of state-correlated CO(X1Σ+; V) with O(1D) and O(1S) photoproducts at 11.95-12.22 eV

    OpenAIRE

    Lu, Z; Chang, YC; Benitez, Y; Luo, Z; Houria, AB; Ayari, T; Al Mogren, MM; Hochlaf, M; Jackson, WM; Ng, CY

    2015-01-01

    © the Owner Societies 2015. The state-to-state photodissociation of CO 2 is investigated in the VUV range of 11.94-12.20 eV by using two independently tunable vacuum ultraviolet (VUV) lasers and the time-sliced velocity-map-imaging-photoion (VMI-PI) method. The spin-allowed CO(X 1 Σ + ; v = 0-18) + O( 1 D) and CO(X 1 Σ + ; v = 0-9) + O( 1 S) photoproduct channels are directl...

  1. 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.

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

    Science.gov (United States)

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

    2016-03-21

    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.

  3. Decay of {sup 185}Tl, {sup 185m+g}Hg, {sup 189m+g}Pb and energy location of the 13/2{sup +} isomeric states in {sup 185}Hg, {sup 189}Pb, {sup 193}Po and {sup 197}Rn

    Energy Technology Data Exchange (ETDEWEB)

    Sauvage, J.; Roussiere, B.; Franchoo, S.; Barre, N.; Bourgeois, C.; Clavelin, J.F.; Grave, X.; Kilcher, P.; Oms, J. [IN2P3-CNRS/Universite Paris-Sud, Institut de Physique Nucleaire, Orsay Cedex (France); Genevey, J. [IN2P3-CNRS/Universite Joseph Fourier, Laboratoire de Physique Subatomique et de Cosmologie, Grenoble Cedex (France); Andreyev, A.N. [University of York, Department of Physics, York (United Kingdom); Ben Braham, A. [Faculte des sciences de Tunis, Tunis (Tunisia); Witte, H. de; Huyse, M.; Mukha, I.; Vel, K.V. de; Duppen, P. van [Instituut voor Kern- en Stralingsfysica, Leuven (Belgium); Fedorov, D.V.; Volkov, Yu.M. [Petersburg Nuclear Physics Institute, Gatchina (Russian Federation); Fedoseyev, V.N.; Marsh, B.A. [ISOLDE, CERN, Geneve (Switzerland); Fraile, L.M. [Universidad Complutense, Grupo de Fisica Nuclear, Madrid (Spain); Huber, G. [Johannes Gutenberg Universitaet, Institut fuer Physik, Mainz (Germany); Koester, U. [Institut Laue-Langevin, Grenoble Cedex 9 (France); Kunz, P. [TRIUMF, Vancouver (Canada); Lesher, S.R. [University of Wisconsin-La Crosse, La Crosse (United States); Porquet, M.G. [Centre de Sciences Nucleaires et de Sciences de la Matiere, Orsay (France); Seliverstov, M. [Petersburg Nuclear Physics Institute, Gatchina (Russian Federation); Johannes Gutenberg Universitaet, Institut fuer Physik, Mainz (Germany); Stefanescu, I. [Technische Universitaet Muenchen, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, Garching (Germany); Wojtasiewicz, A. [University of Warsaw, Institute of Experimental Physics, Warsaw (Poland)

    2013-09-15

    The {beta}{sup +} /EC decay of {sup 185}Tl was studied at the ISOLDE facility, the {gamma} -rays belonging to {sup 185}Hg have been identified and a partial low-spin level scheme of {sup 185}Hg has been built. The decay of {sup 185m+g}Hg was studied at the ISOCELE facility. Conversion electron lines of very low-energy transitions were observed for the first time. Electron data have been obtained for four transitions in {sup 185}Au and two transitions in {sup 185}Hg. From the analysis performed using an internal energy calibration procedure the energy location of the {sup 185m}Hg has been determined to be E{sub IS}= 103.7(4) keV. This E{sub IS} value is consistent with that determined independently, E{sub IS}=94(13) keV, using {sup 185m+g}Hg {alpha} -decay data from literature. New {alpha} particles emitted from {sup 189m+g}Pb have been detected and their origins determined by in-source laser spectroscopy at the ISOLDE facility. {alpha} - {gamma} coincidence results have served to locate the 13/2{sup +} isomeric state of {sup 189}Pb at E{sub IS}=40(4) keV. This latter E{sub IS} value added to {alpha} -decay data from literature have allowed the energy location of the 13/2{sup +} isomeric states of {sup 193}Po and {sup 197}Rn at 95(7)keV and 194(12)keV, respectively. The nuclear structure of the isomeric and ground states in the nuclei of the three {alpha} -emitter chains starting with {sup 195m+g,} {sup 197m+g,} {sup 199m+g}Rn are discussed. (orig.)

  4. 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.

  5. Study on mechanism of isomerization between ammonium thiocyanate and thiourea

    Science.gov (United States)

    Zhang, Chao-Zhi; Niu, Meng-Xiao

    2016-12-01

    Application of ammonium thiocyanate that can be separated from wastewater in coking plant is limited. It may isomerize to thiourea which has widely applied in industry. However, the isomerization yield is low. Moreover, the isomerization temperature is more than 145 °C. In this paper, the isomerization was investigated. The mechanism of the isomerization was supposed based on quantum chemistry calculations. Ammonia was employed as a catalyst to lower isomerization temperature and improved the yield of thiourea in the isomerization reaction. Results of quantum chemical calculation and experiments support the supposed mechanism. The mechanism can be applied in production of thiourea from isomerization of ammonium thiocyanate. The paper suggests a useful way of resourcizing ammonium thiocyanate in wastewater.

  6. Isomerization of propargyl cation to cyclopropenyl cation ...

    Indian Academy of Sciences (India)

    step) for isomerization of the linear propargyl cation to the aromatic cyclopropenyl cation, also probing the phenomenon of solvation of this reaction by simple lone pair donors (NH3, H2O, H2S and HF) which bind to the substrate at two sites.

  7. 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

  8. Synthesis, isomerism, metaloxylation and photochemical behaviour

    Indian Academy of Sciences (India)

    Administrator

    A group of 2¢-substituted phenylazo-1-naphthalenes react with palladium(II) to give cyclopalladated species, in which palladium–carbon bond formation occurs at the naphthyl ring. In ethanolic medium, 2¢-alkylthio-phenylazo-1-naphthalene reacts with palladium(II) and yields an isomeric mixture of compounds (1) and (2).

  9. 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-...

  10. 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.

  11. 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.

  12. Measurement of the isomeric yield ratios of fission products with JYFLTRAP

    CERN Document Server

    Gorelov, D; Hakala, J; Jokinen, A; Kolhinen, V S; Koponen, J; Lantz, M; Matteram, A; Moore, I; Penttilä, H; Pohjalainen, I; Pomp, S; Rakopoulos, V; Reponen, M; Rinta-Antilav, S; Schonnenschein, V; Simutkin, V; Solders, A; Voss, A; Äystö, J

    2014-01-01

    Several isomeric yield ratios of fission products in 25 MeV pr oton-induced fis- sion of 238 U were measured recently at the JYFLTRAP facility. The ion-g uide separator on-line method was utilized to produce radioacti ve ions. The dou- ble Penning-trap mass spectrometer was used to separate iso meric and ground states by their masses. To verify the new experimental techn ique γ -spectro- scopy method was used to obtain the same isomeric ratios.

  13. Activation energy of light induced isomerization of resveratrol.

    Science.gov (United States)

    Figueiras, Teresa Sofia; Neves-Petersen, Maria Teresa; Petersen, Steffen B

    2011-09-01

    Isomerization of trans-stilbenes is known to be induced by light. The two isomers have distinct absorption, fluorescence excitation and emission spectra. Resveratrol, 3,4',5-trihydroxystilbene, is a member of the stilbene family. The interest of the scientific community in resveratrol has increased over the last years due to its biomedical properties. Whereas there is a growing confidence that trans-resveratrol is non-toxic, very little is known about the pharmacology of cis-resveratrol. Of this very reason there is considerable interest in knowing the energetics of the trans-cis conversion. Cis-resveratrol is characterized by a large fluorescence quantum yield when compared to trans-resveratrol. In the present paper we report a detailed analysis of the spectral changes induced in trans-resveratrol upon 260 nm excitation for different time periods. Spectral changes have been monitored with UV-visible absorption and steady-state fluorescence spectroscopy at pH 4 at 20, 25, 30, 35, 40, 45 and 50 °C. Continuous 260 nm excitation induces a blue shift in the absorption and fluorescence excitation spectra of resveratrol and a 14 nm blue shift in its fluorescence emission. The photoisomerization yield is reported as a function of 260 nm excitation time. 330 min continuous excitation led to ~60% isomerization yield. The kinetics of trans-cis isomerization has been monitored following the increase in fluorescence quantum yield upon continuous 260 nm excitation of trans-resveratrol. The study was carried out at the above mentioned temperatures in order to obtain the Arrhenius activation energy of photoisomerization. Activation energy and pre-exponential factor were 3.7 ± 0.3 kcal.mol(-1) and 10.6 ± 1.6 s(-1), respectively. The activation energy is comparable with previously reported values for the photoisomerization of other stilbenes.

  14. CRIS: A new method in isomeric beam production

    Directory of Open Access Journals (Sweden)

    Lynch K.M.

    2013-12-01

    Full Text Available The Collinear Resonance Ionization Spectroscopy (CRIS experiment at ISOLDE, CERN, uses laser radiation to stepwise excite and ionize an atomic beam for the purpose of ultra-sensitive detection of rare isotopes, and hyperfine-structure measurements. The technique also offers the ability to purify an ion beam that is heavily contaminated with radioactive isobars, including the ground state of an isotope from its isomer, allowing decay spectroscopy on nuclear isomeric states to be performed. The isomeric ion beam is selected by resonantly exciting one of its hyperfine structure levels, and subsequently ionizing it. This selectively ionized beam is deflected to a decay spectroscopy station (DSS. This consists of a rotating wheel implantation system for alpha- and beta-decay spectroscopy, and up to three germanium detectors around the implantation site for gamma-ray detection. Resonance ionization spectroscopy and the new technique of laser assisted nuclear decay spectroscopy have recently been performed at the CRIS beam line on the neutron-deficient francium isotopes. Here an overview of the two techniques will be presented, alongside a description of the CRIS beam line and DSS.

  15. CRIS: A new method in isomeric beam production

    Science.gov (United States)

    Lynch, K. M.; Billowes, J.; Bissell, M. L.; Budincevic, I.; Cocolios, T. E.; De Groote, R. P.; De Schepper, S.; Fedosseev, V. N.; Flanagan, K. T.; Franchoo, S.; Garcia Ruiz, R. F.; Heylen, H.; Marsh, B. A.; Mason, P. J. R.; Neyens, G.; Procter, T. J.; Rossel, R. E.; Rothe, S.; Simpson, G. S.; Smith, A. J.; Strashnov, I.; Stroke, H. H.; Walker, P. M.; Wendt, K. D. A.; Wood, R. T.

    2013-12-01

    The Collinear Resonance Ionization Spectroscopy (CRIS) experiment at ISOLDE, CERN, uses laser radiation to stepwise excite and ionize an atomic beam for the purpose of ultra-sensitive detection of rare isotopes, and hyperfine-structure measurements. The technique also offers the ability to purify an ion beam that is heavily contaminated with radioactive isobars, including the ground state of an isotope from its isomer, allowing decay spectroscopy on nuclear isomeric states to be performed. The isomeric ion beam is selected by resonantly exciting one of its hyperfine structure levels, and subsequently ionizing it. This selectively ionized beam is deflected to a decay spectroscopy station (DSS). This consists of a rotating wheel implantation system for alpha- and beta-decay spectroscopy, and up to three germanium detectors around the implantation site for gamma-ray detection. Resonance ionization spectroscopy and the new technique of laser assisted nuclear decay spectroscopy have recently been performed at the CRIS beam line on the neutron-deficient francium isotopes. Here an overview of the two techniques will be presented, alongside a description of the CRIS beam line and DSS.

  16. EVs from a fleet perspective

    Energy Technology Data Exchange (ETDEWEB)

    Berube, M.

    1999-07-01

    EV testing in Montreal involved a comparison of vehicle performance with a pool of targeted users. The results were an availability of less than 40% and user apathy. Recommendations are included for an apt test environment referring to recharging, vehicle supervision, data collection, and driving habits. Recharging covers limitations imposed by battery memory, the priority/ performance equation, and the performance/availability equation. For vehicle supervision one responsible person checks battery charge levels, supervises maintenance, and develops a sixth sense for the vehicles. Data collection is confined to just the essentials, and it is necessary to keep on top of users. There is a need for on-board, transparent data acquisition. The driving habits recommendation refers to the fact of different driving styles, varied performances, a self-supervision system for users, and the existence of a short learning curve. For fleet integration, the elements include: test rather than regular use, single, responsible user, and part of Montreal 2000. Fleet relevance has as its elements: poor performance/false problem, and problem met/dependability. Finally, a 20% integration is conceivable if price and performance are in line. Extra spin-offs are the corporate image, and the public is given the impression that the corporation is the major player it is expected to be.

  17. Slower processes of the ultrafast photo-isomerization of an azobenzene observed by IR spectroscopy

    NARCIS (Netherlands)

    Koller, F.O.; Sobotta, C.; Schrader, T.E.; Cordes, T.; Schreier, W.J.; Sieg, A.; Gilch, P.

    2007-01-01

    The photo-induced trans–cis isomerization of the azobenzene derivative 4-nitro-4'-(dimethylamino)azobenzene in polar solution was studied by femtosecond UV/Vis and IR spectroscopy. The UV/Vis experiment reveals two excited state processes; the slower one (1 ps) is the internal conversion to the

  18. E/Z Isomers and Isomerization

    Science.gov (United States)

    Liaaen-Jensen, Synnøve; Lutnœes, Bjart Frode

    The natural occurrence of several carotenoid cis isomers and their biological significance were not anticipated in 1962, when the classical monograph on cis-trans isomeric carotenoids [1] was published. More recent research has demonstrated that various cis isomers occur naturally in bacteria plants, algae and invertebrate animals, and are present in human blood and tissues. The participation of cis isomers in the biosynthethic route to coloured carotenoids is well established (Volume 3, Chapter 2). Important biological functions of (15Z)-carotenoids in photosynthesis have been revealed [2]. In relation to health aspects of carotenoids, the bioavailability of cis isomers may be higher than that of the all-trans isomer [3], and accumulated evidence suggests that cis/trans isomerization may occur in biological tissues, particularly of lycopene (31) in human serum [4] (Volume 5, Chapter 7).

  19. 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.

  20. EV Portfolio Management and Grid Impact Study

    DEFF Research Database (Denmark)

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

    2009-01-01

    to the day‐ahead spot price pattern in the Nordic power market, the spot prices are normally low when there is a lot of wind power production. Therefore, a fleet operator based EV charging scenario considering day‐ahead spot prices is proposed to achieve this goal. The developed EV charging algorithm...

  1. A review of drug isomerism and its significance

    OpenAIRE

    Chhabra, Naveen; Aseri, Madan L; Padmanabhan, Deepak

    2013-01-01

    Isomerism finds its importance in the field of clinical pharmacology and pharmacotherapeutics, as isomers differ in their pharmacokinetic and pharmacodyanmic properties. Drug isomerism has opened a new era of drug development. Currently, knowledge of isomerism has helped us in introducing safer and more effective drug alternatives of the newer as well as existing drugs. Many existing drugs have gone chiral switch i.e., switching from racemic mixture to one of its isomers. Cetrizine to levocet...

  2. Methods for suppressing isomerization of olefin metathesis products

    Energy Technology Data Exchange (ETDEWEB)

    Firth, Bruce E.; Kirk, Sharon E.; Gavaskar, Vasudeo S.

    2015-09-22

    A method for suppressing isomerization of an olefin metathesis product produced in a metathesis reaction includes adding an isomerization suppression agent to a mixture that includes the olefin metathesis product and residual metathesis catalyst from the metathesis reaction under conditions that are sufficient to passivate at least a portion of the residual metathesis catalyst. The isomerization suppression agent is phosphorous acid, a phosphorous acid ester, phosphinic acid, a phosphinic acid ester or combinations thereof. Methods of refining natural oils are described.

  3. EV and HEV Motor Development in TOSHIBA

    National Research Council Canada - National Science Library

    Arata, Masanori; Kurihara, Yoshihiro; Misu, Daisuke; Matsubara, Masakatsu

    2015-01-01

    .... Therefore, motors employing permanent magnets have been commonly used recently. For HEV and EV motors, Toshiba developed a motor that delivers a high reluctance torque, known as PRM, and has been applying it to various vehicles...

  4. Enzymatic isomerization of glucose and xylose in ionic liquids

    DEFF Research Database (Denmark)

    Ståhlberg, Tim Johannes Bjarki; Woodley, John; Riisager, Anders

    2012-01-01

    Glucose isomerase has been found for the first time to catalyze the isomerization of glucose to fructose in the ionic liquid N, N-dibutylethanolammonium octanoate (DBAO). Isomerization was achieved at temperatures of 60-80 degrees C although a substantial amount of mannose was formed at elevated...

  5. 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.

  6. 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.

  7. Ultrafast isomerization in a difluoroboryl-coordinated molecular switch

    Science.gov (United States)

    Consani, Cristina; Berberich, Martin; Würthner, Frank; Brixner, Tobias

    2017-09-01

    Molecular switches based on light-induced isomerization cycles are promising materials for sensors and biomedical applications. Understanding the details of the isomerization photocycle and identifying the nuclear coordinates involved in the photoreaction are relevant topics. Here we characterize the cis → trans and trans → cis isomerization of a new type of BF2-coordinated azo-dye molecular switch by pump-probe spectroscopy. While cis → trans isomerization is ultrafast and proceeds via a conical intersection, the trans → cis photocycle is more complex and involves at least three reaction channels. Finally, we employ the vibrational wavepackets accompanying isomerization to infer information on the nuclear degrees of freedom involved in the photoreaction.

  8. Isomerizing olefin metathesis as a strategy to access defined distributions of unsaturated compounds from fatty acids.

    Science.gov (United States)

    Ohlmann, Dominik M; Tschauder, Nicole; Stockis, Jean-Pierre; Goossen, Käthe; Dierker, Markus; Goossen, Lukas J

    2012-08-22

    The dimeric palladium(I) complex [Pd(μ-Br)(t)Bu(3)P](2) was found to possess unique activity for the catalytic double-bond migration within unsaturated compounds. This isomerization catalyst is fully compatible with state-of-the-art olefin metathesis catalysts. In the presence of bifunctional catalyst systems consisting of [Pd(μ-Br)(t)Bu(3)P](2) and NHC-indylidene ruthenium complexes, unsaturated compounds are continuously converted into equilibrium mixtures of double-bond isomers, which concurrently undergo catalytic olefin metathesis. Using such highly active catalyst systems, the isomerizing olefin metathesis becomes an efficient way to access defined distributions of unsaturated compounds from olefinic substrates. Computational models were designed to predict the outcome of such reactions. The synthetic utility of isomerizing metatheses is demonstrated by various new applications. Thus, the isomerizing self-metathesis of oleic and other fatty acids and esters provides olefins along with unsaturated mono- and dicarboxylates in distributions with adjustable widths. The cross-metathesis of two olefins with different chain lengths leads to regular distributions with a mean chain length that depends on the chain length of both starting materials and their ratio. The cross-metathesis of oleic acid with ethylene serves to access olefin blends with mean chain lengths below 18 carbons, while its analogous reaction with hex-3-enedioic acid gives unsaturated dicarboxylic acids with adjustable mean chain lengths as major products. Overall, the concept of isomerizing metatheses promises to open up new synthetic opportunities for the incorporation of oleochemicals as renewable feedstocks into the chemical value chain.

  9. The mechanism for iron-catalyzed alkene isomerization in solution

    Energy Technology Data Exchange (ETDEWEB)

    Sawyer, Karma R.; Glascoe, Elizabeth A.; Cahoon, James F.; Schlegel, Jacob P.; Harris, Charles B.

    2008-05-27

    Here we report nano- through microsecond time-resolved IR experiments of iron-catalyzed alkene isomerization in room-temperature solution. We have monitored the photochemistry of a model system, Fe(CO){sub 4}({eta}{sup 2}-1-hexene), in neat 1-hexene solution. UV-photolysis of the starting material leads to the dissociation of a single CO to form Fe(CO){sub 3}({eta}{sup 2}-1-hexene), in a singlet spin state. This CO loss complex shows a dramatic selectivity to form an allyl hydride, HFe(CO){sub 3}({eta}{sup 3}-C{sub 6}H{sub 11}), via an internal C-H bond-cleavage reaction in 5-25 ns. We find no evidence for the coordination of an alkene molecule from the bath to the CO loss complex, but do observe coordination to the allyl hydride, indicating that it is the key intermediate in the isomerization mechanism. Coordination of the alkene ligand to the allyl hydride leads to the formation of the bis-alkene isomers, Fe(CO){sub 3}({eta}{sup 2}-1-hexene)({eta}{sup 2}-2-hexene) and Fe(CO){sub 3}({eta}{sup 2}-1-hexene){sub 2}. Because of the thermodynamic stability of Fe(CO){sub 3}({eta}{sup 2}-1-hexene)({eta}{sup 2}-2-hexene) over Fe(CO){sub 3}({eta}{sup 2}-1-hexene){sub 2} (ca. 12 kcal/mol), nearly 100% of the alkene population will be 2-alkene. The results presented herein provide the first direct evidence for this mechanism in solution and suggest modifications to the currently accepted mechanism.

  10. S/EV 92: solar and electric vehicles: Proceedings. Volume 1, Table of contents, Morning plenary sessions, EV fundamentals, Advanced EVs, Photovoltaics, Policy, Fleets, Index

    Energy Technology Data Exchange (ETDEWEB)

    1992-12-31

    These proceedings include the morning plenary sessions and then sessions on each of the following topics: Electric Vehicle (EV) fundamentals, advanced EV`s, photovoltaics, policy, and fleets. Many individual topics are considered to include: EV races, environmental benefits, demonstration programs, lightweight composite materials, advanced components, and electric batteries.

  11. 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.

  12. Ab initio kinetics for isomerization reaction of normal-chain hexadiene isomers

    Science.gov (United States)

    Yang, Feiyu; Deng, Fuquan; Pan, Youshun; Tian, Zemin; Zhang, Yingjia; Huang, Zuohua

    2016-10-01

    The ground-state potential energy surface (PES) of isomerization philosophy of ten normal-chain hexadiene isomers is computed by density functional methods using the geometries optimized at B3LYP/6-311++G (d, p) level of theory. These detailed reaction pathways are used to calculate the rate constants for the unimolecular isomerization reactions by transition state theory (TST) in the temperature range of 500-2500 K. Difference of rate constant between each hexadiene isomer is interpreted through the PES and Ḣ atom transfer, and only 2,4-hexadiene readily fulfills cis-cis to trans-trans conformation conversion. All the conversions are kinetically interpreted from the PES and ST geometry.

  13. The conformational potential energy surface of IOONO and the isomerization and decomposition processes

    Science.gov (United States)

    Papayannis, Demetrios K.; Kosmas, Agnie M.

    2005-08-01

    The conformational potential energy surface of iodine peroxy nitrite was investigated using high levels of electronic structure theory. Two minimum energy conformers and five energy maxima have been determined. The comparison with other peroxy nitrites shows interesting correlations with the internal rotational barriers of the Cl, Br analogues and with peroxynitrous acid. Distinct transition states for the isomerization to iodine nitrate and the scission of the peroxy bond have been calculated. Finally, the thermochemistry of IOONO and IONO 2 has been reconsidered.

  14. 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.

  15. Photo- and electro-isomerization of azobenzenes based on polymer-dispersed liquid crystals doped with azobenzenes and their applications.

    Science.gov (United States)

    Liu, Yen-Chen; Cheng, Ko-Ting; Chen, Hsin-Fu; Fuh, Andy Ying-Guey

    2014-02-24

    We report the photo-isomerization and electro-isomerization effects in azobenzenes-doped polymer-dispersed liquid crystals during the switching of the liquid crystal (LC) device between transparent (cis-isomers dominant) and scattering states (trans-isomers dominant). The isothermal phase transition, which is a result of the illumination of UV light and the application of DC voltage, was the main mechanism to switch the LC device between transparency, scattering, and gray scales. This study discusses in detail the variations in the population of cis-isomers as functions of the period and the amplitude of the applied DC voltage.

  16. 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...

  17. 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.

  18. Zeolite-catalyzed isomerization of tetroses in aqueous medium

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Riisager, Anders

    2014-01-01

    in water. Hence, the results demonstrate water to be a preferred solvent compared to lower alcohols for zeolite-catalyzed tetrose isomerization, which is opposite to what previously have been found for analogous pentose and hexose isomerization. A reuse study revealed further that H-USY(6) could be applied...... in at least five reaction runs with essentially unchanged activity and without significant aluminium leaching from the catalyst. The use of benign reaction conditions and an industrially pertinent solid catalyst in combination with water establishes a new, green tetrose isomerization protocol...

  19. 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.

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

    NARCIS (Netherlands)

    Dickel, T.; Plass, W. R.; Andres, S. Ayet San; 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.; Knoebel, R.; Lippert, W.; Moore, I. D.; Pohjalainen, I.; Prochazka, A.; Ranjan, M.; Takechi, M.; Winfield, J. S.; Xu, X.

    2015-01-01

    Po-211 ions in the ground and isomeric states were produced via U-238 projectile fragmentation at 1000 MeV/u. The Po-211 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

  1. Models of hydration and isomeric transitions of glucose molecules in aqueous solutions

    Science.gov (United States)

    Alekseev, A. N.; Bulavin, L. A.; Zabashta, Yu. F.; Tkachev, S. Yu.

    2014-05-01

    The kinematic viscosity of aqueous glucose solutions is studied. It is found that the hydrodynamic radius of monosaccharide molecule in an aqueous solution depends on temperature in the range of 290-355 K. Using a bimodal model of the energy states of the volume in which the glucose molecule is located and local equilibrium is established, it is shown that the above-mentioned dependence can be attributed to disturbances in the equilibrium of isomeric transitions, induced by variations in temperature. The parameters of isomeric transitions for a glucose molecule in an aqueous solvent, the probability of "chair" and "boat" configurations occurring for glucose molecules, and the number of water molecules in the hydration shells of these configurations are calculated; the strain of the chemical bonds in the chair configuration of a glucose molecule is estimated.

  2. Femtosecond dynamics of fundamental reaction processes in liquids: Proton transfer, geminate recombination, isomerization and vibrational relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, Benjamin Joel [Univ. of California, Berkeley, CA (United States)

    1992-11-01

    The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured and effects of external hydrogen-bonding interactions on the proton transfer are studied. The proton transfer takes place in ~240 fsec in nonpolar environments, but becomes faster than instrumental resolution of 110 fsec in methanol solution. The dynamics following photodissociation of CH2I2 and other small molecules provide the first direct observations of geminate recombination. The recombination of many different photodissociating species occurs on a ~350 fsec time scale. Results show that recombination yields but not rates depend on the solvent environment and suggest that recombination kinetics are dominated by a single collision with surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. Data show no simple correlation between hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes, implying that the isomerization does not provide a suitable for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial steps of the photochromic reaction process occur extremely rapidly. Laser system and computer codes for data analysis are discussed.

  3. {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.

  4. Catalytic skeletal isomerization of linear butenes to isobutene

    CSIR Research Space (South Africa)

    Butler, AC

    1993-12-31

    Full Text Available since the late 1970s in implementing the catalytic skeletal isomerization reaction of these linear alkenes. Halogenated catalysts, especially those based on alumina, and prepared using a variety of compounds of fluorine, chlorine or bromine, have been...

  5. Methods for suppressing isomerization of olefin metathesis products

    Energy Technology Data Exchange (ETDEWEB)

    Firth, Bruce E.; Kirk, Sharon E.

    2015-10-27

    A method for suppressing isomerization of an olefin metathesis product produced in a metathesis reaction includes adding an isomerization suppression agent that includes nitric acid to a mixture that includes the olefin metathesis product and residual metathesis catalyst from the metathesis reaction under conditions that are sufficient to passivate at least a portion of the residual metathesis catalyst. Methods of refining a natural oil are described.

  6. Isomerization of allyl ethers initiated by lithium diisopropylamide.

    Science.gov (United States)

    Su, Chicheung; Williard, Paul G

    2010-12-03

    Lithium diisopropylamide (LDA) promotes virtually quantitative conversion of allylic ethers to (Z)-propenyl ethers. It was discovered that allylic ethers can be isomerized efficiently with very high stereoselectivity to (Z)-propenyl ethers by LDA in THF at room temperature. The reaction time for the conversion increases with more sterically hindered allylic ethers. Different amides were also compared with LDA for their ability to effect this isomerization.

  7. Electric Vehicle (EV) Charging Management with Dynamic Distribution System Tariff

    DEFF Research Database (Denmark)

    O'Connell, Niamh; Wu, Qiuwei; Østergaard, Jacob

    2011-01-01

    An electric vehicle (EV) charging schedule algorithm was proposed in this paper in order to charge EVs to meet EV users’ driving needs with the minimum EV charging cost and respect the local distribution system constraints. A day-ahead dynamic distribution system tariff scheme was proposed to avoid...

  8. 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 order...

  9. 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.

  10. 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

  11. Tantsupäev toob auhinnad

    Index Scriptorium Estoniae

    2005-01-01

    Rahvusvahelisel tantsupäeval, 29. apr., jõuab Kanuti Gildi saalis maailmaesietenduseni S. Pepeljajevi ja tema uue nimega trupi - teater APART - tantsulavastus "Uksed", millele järgneb Philip Morrise tantsuauhindade tseremoonia. Rahvusvahelist tantsupäeva tähistatakse maailmas 1982.a., päev on valitud prantsuse ballettmeistri J.-G. Noverre'i sünnikuupäeva järgi

  12. State-to-state vacuum ultraviolet photodissociation study of CO2 on the formation of state-correlated CO(X(1)Σ(+); v) with O((1)D) and O((1)S) photoproducts at 11.95-12.22 eV.

    Science.gov (United States)

    Lu, Zhou; Chang, Yih Chung; Benitez, Yanice; Luo, Zhihong; Houria, Adel Ben; Ayari, Tarek; Al Mogren, Muneerah Mogren; Hochlaf, M; Jackson, W M; Ng, C Y

    2015-05-07

    The state-to-state photodissociation of CO2 is investigated in the VUV range of 11.94-12.20 eV by using two independently tunable vacuum ultraviolet (VUV) lasers and the time-sliced velocity-map-imaging-photoion (VMI-PI) method. The spin-allowed CO(X(1)Σ(+); v = 0-18) + O((1)D) and CO(X(1)Σ(+); v = 0-9) + O((1)S) photoproduct channels are directly observed from the measurement of time-sliced VMI-PI images of O((1)D) and O((1)S). The total kinetic energy release (TKER) spectra obtained based on these VMI-PI images shows that the observed energetic thresholds for both the O((1)D) and O((1)S) channels are consistent with the thermochemical thresholds. Furthermore, the nascent vibrational distributions of CO(X(1)Σ(+); v) photoproducts formed in correlation with O((1)D) differ significantly from that produced in correlation with O((1)S), indicating that the dissociation pathways for the O((1)D) and O((1)S) channels are distinctly different. For the O((1)S) channel, CO(X(1)Σ(+); v) photoproducts are formed mostly in low vibrational states (v = 0-2), whereas for the O((1)D) channel, CO(X(1)Σ(+); v) photoproducts are found to have significant populations in high vibrationally excited states (v = 10-16). The anisotropy β parameters for the O((1)D) + CO(X(1)Σ(+); v = 0-18) and O((1)S) + CO(X(1)Σ(+); v = 0-9) channels have also been determined from the VMI-PI measurements, indicating that CO2 dissociation to form the O((1)D) and O((1)S) channels is faster than the rotational periods of the VUV excited CO2 molecules. We have also calculated the excited singlet potential energy surfaces (PESs) of CO2, which are directly accessible by VUV excitation, at the ab initio quantum multi-reference configuration interaction level of theory. These calculated PESs suggest that the formation of CO(X(1)Σ(+)) + O((1)S) photoproducts occurs nearly exclusively on the 4(1)A' PES, which is generally repulsive with minor potential energy ripples along the OC-O stretching coordinate. The

  13. Positively charged retinoids are potent and selective inhibitors of the trans-cis isomerization in the retinoid (visual) cycle.

    Science.gov (United States)

    Golczak, Marcin; Kuksa, Vladimir; Maeda, Tadao; Moise, Alexander R; Palczewski, Krzysztof

    2005-06-07

    In vertebrate retinal photoreceptors, photoisomerization of opsin-bound visual chromophore 11-cis-retinal to all-trans-retinal triggers phototransduction events. Regeneration of the chromophore is a critical step in restoring photoreceptors to their dark-adapted state. This regeneration process, called the retinoid cycle, takes place in the photoreceptor outer segments and in the retinal pigmented epithelium (RPE). We have suggested that the regeneration of the chromophore might occur through a retinyl carbocation intermediate. Here, we provide evidence that isomerization is inhibited by positively charged retinoids, which could act as transition state analogs of the isomerization process. We demonstrate that retinylamine (Ret-NH2) potently and selectively inhibits the isomerization step of the retinoid cycle in vitro and in vivo. Ret-NH2 binds a protein(s) in the RPE microsomes, but it does not bind RPE65, a protein implicated in the isomerization reaction. Although Ret-NH2 inhibits the regeneration of visual chromophore in rods and, in turn, severely attenuates rod responses, it has a much smaller effect on cone function in mice. Ret-NH2 interacts only at micromolar concentrations with retinoic acid receptor, does not activate retinoid-X receptor, and is not a substrate for CYP26s, the retinoic acid-metabolizing cytochrome P450 enzymes. Ret-NH2 can be a significant investigational tool to study the mechanism of regeneration of visual chromophore.

  14. Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis.

    Science.gov (United States)

    Remya, Premaja R; Suresh, Cherumuttathu H

    2017-07-15

    A comprehensive density functional theory study on the dissociative and associative mechanisms of Grubbs first and second generation olefin metathesis catalysis reveals that ruthenacyclobutane intermediate (RuCB) observed in the Chauvin mechanism is not unique as it can change to a non-metathetic ruthenacyclobutane (RuCB') via the phenomenon of bond stretch isomerism (BSI). RuCB and RuCB' differ mainly in RuCα , RuCβ , and Cα Cβ bond lengths of the metallacycle. RuCB is metathesis active due to the agostic type bonding-assisted simultaneous activation of both Cα Cβ bonds, giving hypercoordinate character to Cβ whereas an absence of such bonding interactions in RuCB' leads to typical CC single bond distances and metathesis inactivity. RuCB and RuCB' are connected by a transition state showing moderate activation barrier. The new mechanistic insights invoking BSI explains the non-preference of associative mechanism and the requirement of bulky ligands in the Grubbs catalyst design. The present study lifts the status of BSI from a concept of largely theoretical interest to a phenomenon of intense importance to describe an eminent catalytic reaction. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. A photoionization mass spectrometric and threshold photoelectron-photoion coincidence study of vinylbromide (C{sub 2}H{sub 3}Br) in the vacuum ultraviolet range of 6-21 eV

    Energy Technology Data Exchange (ETDEWEB)

    Hoxha, A.; Yu, S.-Y. [Laboratoire de Dynamique Moleculaire, Departement de Chimie, Institut de Chimie Bat.B6c, Universite de Liege, Sart-Tilman par B-4000 Liege 1 (Belgium); Locht, R., E-mail: Robert.Locht@ulg.ac.be [Laboratoire de Dynamique Moleculaire, Departement de Chimie, Institut de Chimie Bat.B6c, Universite de Liege, Sart-Tilman par B-4000 Liege 1 (Belgium); Jochims, H.-W. [Institut fuer Physikalische und Theoretische Chemie, Freie Universitaet Berlin, Takustrasse 3, D-14195 Berlin (Germany); Leyh, B., E-mail: Bernard.Leyh@ulg.ac.be [Laboratoire de Dynamique Moleculaire, Departement de Chimie, Institut de Chimie Bat.B6c, Universite de Liege, Sart-Tilman par B-4000 Liege 1 (Belgium)

    2011-01-24

    Graphical abstract: Fragmentation dynamics of photoionized C{sub 2}H{sub 3}Br is investigated. Dissociative photoionization mass spectrometry and TPEPICO data are combined. Thresholds and breakdown diagram are measured and discussed for all detected ions. The role of electronic excitation and isomerization is analyzed. Research highlights: {yields} Fragmentation dynamics of photoionized C{sub 2}H{sub 3}Br is investigated. {yields} Dissociative photoionization mass spectrometry and TPEPICO data are combined. {yields} Thresholds and breakdown diagram are measured and discussed for all detected ions. {yields} The role of electronic excitation and isomerization is analyzed. - Abstract: The dissociative photoionization of vinyl bromide (C{sub 2}H{sub 3}Br) has been investigated by photoionization mass spectrometry (PIMS) and time-of-flight threshold photoelectron-photoion coincidence (TOF-TPEPICO) spectrometry using synchrotron radiation. The photoionization efficiency curves of the three most abundant ions, i.e. C{sub 2}H{sub 3}Br{sup +}, C{sub 2}H{sub 3}{sup +} and C{sub 2}H{sub 2}{sup +}, are measured and analyzed in detail. A C{sub 2}H{sub 3}{sup +}/Br{sup -} photoion-pair formation process has been detected for the first time. Some arguments are provided in favor of the electronic excitation of the C{sub 2}H{sub 3}{sup +} fragment and of the isomerization of the C{sub 2}H{sub 2}{sup +} ions. The breakdown diagram for these ions in the 9.8-21 eV photon energy range, derived from TOF-TPEPICO mass spectra, is discussed. The involvement of the successive C{sub 2}H{sub 3}Br{sup +} ionic states and the role of autoionization of C{sub 2}H{sub 3}Br Rydberg states are emphasized. For the two minor HBr{sup +} and Br{sup +} fragment ions only the breakdown diagrams are measured and appearance energies are derived.

  16. Isomeric Island in the Vicinity of 66Fe

    Energy Technology Data Exchange (ETDEWEB)

    Daugas, J. M. [Grand Accelerateur National d' Ions Lourds (GANIL); Sawicka, M. [University of Warsaw; Pfutzner, M. [University of Warsaw; Matea, I. [Grand Accelerateur National d' Ions Lourds (GANIL); Grawe, H. [GSI-Hemholtzzentrum fur Schwerionenforschung, Darmstadt, Germany; Grzywacz, Robert Kazimierz [ORNL; Bingham, Carrol R [ORNL; Grzywacz-Jones, K. L. [Oak Ridge National Laboratory (ORNL); Rykaczewski, Krzysztof Piotr [ORNL

    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 g9/2 shell. Moreover, the excitation energy of the first 2+ and 4+ states in the 68Fe have been established by − 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.

  17. Ground-state and isomeric-state cross sections for 181Ta( n,2n )180Ta between 8 and 15 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Bhatia, C. [Duke Univ., Durham, NC (United States); Triangle Univ. Nuclear Lab., Durham, NC (United States); Gooden, M. E. [Triangle Univ. Nuclear Lab., Durham, NC (United States); North Carolina State Univ., Raleigh, NC (United States); Tornow, W. [Duke Univ., Durham, NC (United States); Triangle Univ. Nuclear Lab., Durham, NC (United States); Tonchev, A. P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2013-03-21

    Using the activation technique, the cross section for the reaction 181Ta(n,2n)180gTa was measured from 8 to 15 MeV in small energy steps to resolve inconsistencies in the existing database. The 93.4 keV γ ray from the decay of the 180gTa ground state was recorded with a high-purity germanium (HPGe) detector. The monitor reactions 27Al(n,α)24Na and 197Au(n,2n)196Au were used for neutron fluence determination. The ENDF VII.1 and TENDL 2011 evaluations are in considerable disagreement with the present data, which in turn agree very well with the majority of the existing data in the 14 MeV energy region. Furthermore, a detailed analysis using the code TALYS was performed to describe the present data and to predict the (n,2n) cross section to the isomeric state of 180Ta.

  18. Simulation of Photo-isomerization of Functionalized Azobenzene Derivatives

    Science.gov (United States)

    Tavazohi, Pedram; Herberger, Zachary; Lewis, James

    Photo-isomerization is the process of changing the isomer (cis , trans) of a molecule using light. In azobenzene this process can be utilized in a Metal Organic Framework (MOF) for adsorption of CO2. MOFs are created by two major components, metal ions, and organic molecules which are called linkers. The metal ions and linkers can be coordinated in a way that they form a porous material. In the cis isomer of azobenzene, the MOF's pore is available to be filled by CO2, but in the trans isomer the pore is filled with a benzene ring. The change from cis to trans will evacuate the pore if CO2 is present. The important considerations in using azobenzene photo-isomerization as a photo-switch in MOFs are, the quantum yield of the process, and the wavelength of the light which triggers photo-isomerization. By substitution of the functional groups of azobenzene and using the fewest switches surface-hopping algorithm in FIREBALL to simulate the photo-isomerization process we can tune the properties of the molecule as we desire and predict the best substitution sites for azobenzene functional groups. We studied the effects of functionalizing the molecule with OH, CH3, NH2, NO2 and COOH on isomerization quantum yield.

  19. 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.

  20. Proof for the concerted inversion mechanism in the trans-->cis isomerization of azobenzene using hydrogen bonding to induce isomer locking.

    Science.gov (United States)

    Bandara, H M Dhammika; Friss, Tracey R; Enriquez, Miriam M; Isley, William; Incarvito, Christopher; Frank, Harry A; Gascon, Jose; Burdette, Shawn C

    2010-07-16

    Azobenzene undergoes reversible cistrans photoisomerization upon irradiation. Substituents often change the isomerization behavior of azobenzene, but not always in a predictive manner. The synthesis and properties of three azobenzene derivatives, AzoAMP-1, -2, and -3, are reported. AzoAMP-1 (2,2'-bis[N-(2-pyridyl)methyl]diaminoazobenzene), which possesses two aminomethylpyridine groups ortho to the azo group, exhibits minimal trans-->cis photoisomerization and extremely rapid cis-->trans thermal recovery. AzoAMP-1 adopts a planar conformation in the solid state and is much more emissive (Phi(fl) = 0.003) than azobenzene when frozen in a matrix of 1:1 diethylether/ethanol at 77 K. Two strong intramolecular hydrogen bonds between anilino protons and pyridyl and azo nitrogen atoms are responsible for these unusual properties. Computational data predict AzoAMP-1 should not isomerize following S(2)azobenzene. Confirmation that the AzoAMP-1 and -2 retain excited state photochemistry analogous to azobenzene was provided by ultrafast transient absorption spectroscopy of both compounds in the visible spectral region. The isomerization of azobenzene occurs via a concerted inversion mechanism where both aryl rings must adopt a collinear arrangement prior to inversion. The hydrogen bonding in AzoAMP-1 prevents both aryl rings from adopting this conformation. To further probe the mechanism of isomerization, AzoAMP-3, which has only one anilinomethylpyridine substituent for hydrogen bonding, was prepared and characterized. AzoAMP-3 does not isomerize and exhibits emission (Phi(fl) = 0.0008) at 77 K. The hydrogen bonding motif in AzoAMP-1 and AzoAMP-3 provides the first example where inhibiting the concerted inversion pathway in an azobenzene prevents isomerization. These molecules provide important supporting evidence for the spectroscopic and computational studies aimed at elucidating the isomerization mechanism in azobenzene.

  1. 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

  2. Coordinated EV adoption: double-digit reductions in emissions and fuel use for $40/vehicle-year.

    Science.gov (United States)

    Choi, Dong Gu; Kreikebaum, Frank; Thomas, Valerie M; Divan, Deepak

    2013-09-17

    Adoption of electric vehicles (EVs) would affect the costs and sources of electricity and the United States efficiency requirements for conventional vehicles (CVs). We model EV adoption scenarios in each of six regions of the Eastern Interconnection, containing 70% of the United States population. We develop electricity system optimization models at the multidecade, day-ahead, and hour-ahead time scales, incorporating spatial wind energy modeling, endogenous modeling of CV efficiencies, projections for EV efficiencies, and projected CV and EV costs. We find two means to reduce total consumer expenditure (TCE): (i) controlling charge timing and (ii) unlinking the fuel economy regulations for CVs from EVs. Although EVs provide minimal direct GHG reductions, controlled charging provides load flexibility, lowering the cost of renewable electricity. Without EVs, a 33% renewable electricity standard (RES) would cost $193/vehicle-year more than the reference case (10% RES). Combining a 33% RES, EVs with controlled charging and unlinking would reduce combined electric- and vehicle-sector CO2 emissions by 27% and reduce gasoline consumption by 59% for $40/vehicle-year more than the reference case. Coordinating EV adoption with adoption of controlled charging, unlinked fuel economy regulations, and renewable electricity standards would provide low-cost reductions in emissions and fuel usage.

  3. Tracking of azobenzene isomerization by X-ray emission spectroscopy.

    Science.gov (United States)

    Ebadi, H

    2014-09-11

    Cis-trans isomerizations are among the fundamental processes in photochemistry. In azobenzene or its derivatives this dynamics is, due to its reversibility, one of the reactions widely used in photostimulation of molecular motors or in molecular electronics. Though intensively investigated in the optical regime, no detailed study exists in the X-ray regime so far. Because the X-ray emission spectroscopy echoes the electronic structure sensitive to the geometry, this theoretical report based on the density functional theory and its time-dependent version presents different nitrogen K-edge X-ray emission spectra for cis and trans isomers with close interrelation to their electron configuration. Considering the spectrum along the isomerization path, these structural signatures can be utilized to probe the isomerization dynamics in the excited molecule. The scheme can further be generalized to the element specific photoreactions.

  4. S/EV 92: solar and electric vehicles: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    These proceedings include the morning plenary sessions and then sessions on each of the following topics: Electric Vehicle (EV) fundamentals, advanced EV's, photovoltaics, policy, and fleets. Many individual topics are considered to include: EV races, environmental benefits, demonstration programs, lightweight composite materials, advanced components, and electric batteries.

  5. Heart Transplantation in a Patient with Left Isomerism

    Directory of Open Access Journals (Sweden)

    Ji Hyun Bang

    2015-08-01

    Full Text Available We report the case of a 37-year-old man who suffered from biventricular failure due to left isomerism, inferior vena cava interruption with azygos vein continuation, bilateral superior vena cava, double outlet of right ventricle, complete atrioventricular septal defect, pulmonary stenosis, and isolated dextrocardia. Heart transplantation in patients with systemic venous anomalies often requires the correction and reconstruction of the upper & lower venous drainage. We present a case of heart transplantation in a patient with left isomerism, highlighting technical modifications to the procedure, including the unifocalization of the caval veins and reconstruction with patch augmentation.

  6. The conformational potential energy surface of IOONO and the isomerization and decomposition processes

    Energy Technology Data Exchange (ETDEWEB)

    Papayannis, Demetrios K. [Department of Science and Technology of Materials, University of Ioannina, 45110 Ioannina (Greece); Kosmas, Agnie M. [Department of Chemistry, Physical Chemistry Laboratory, University of Ioannina, Dourati, 45110 Ioannina (Greece)], E-mail: amylona@cc.uoi.gr

    2005-08-29

    The conformational potential energy surface of iodine peroxy nitrite was investigated using high levels of electronic structure theory. Two minimum energy conformers and five energy maxima have been determined. The comparison with other peroxy nitrites shows interesting correlations with the internal rotational barriers of the Cl, Br analogues and with peroxynitrous acid. Distinct transition states for the isomerization to iodine nitrate and the scission of the peroxy bond have been calculated. Finally, the thermochemistry of IOONO and IONO{sub 2} has been reconsidered.

  7. 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.

  8. Enhanced Video Surveillance (EVS) with speckle imaging

    Energy Technology Data Exchange (ETDEWEB)

    Carrano, C J

    2004-01-13

    Enhanced Video Surveillance (EVS) with Speckle Imaging is a high-resolution imaging system that substantially improves resolution and contrast in images acquired over long distances. This technology will increase image resolution up to an order of magnitude or greater for video surveillance systems. The system's hardware components are all commercially available and consist of a telescope or large-aperture lens assembly, a high-performance digital camera, and a personal computer. The system's software, developed at LLNL, extends standard speckle-image-processing methods (used in the astronomical community) to solve the atmospheric blurring problem associated with imaging over medium to long distances (hundreds of meters to tens of kilometers) through horizontal or slant-path turbulence. This novel imaging technology will not only enhance national security but also will benefit law enforcement, security contractors, and any private or public entity that uses video surveillance to protect their assets.

  9. [Generation of recombinant human antibodies for EV71 virus].

    Science.gov (United States)

    Sun, Li-Na; Zhang, Li; Zhang, Fu-Shun; Li, Chuan; Zhang, Quan-Fu; Li, De-Xin; Liang, Mi-Fang

    2011-06-01

    To obtain recombinant human anti-EV71 antibodies from a EV71-associated hand-foot-and-mouth disease patient-derived antibody phage library. A combinatorial human scFv library to enterovirus 71 (EV71) virus was constructed using antibody genes harvested from the blood of EV71 virus patients. The library was panned and selected by using purified VP1 protein of EV71 virus with phage display. After that the specific antibody was converted to full human IgG antibody with recombinant baculovirus/insect cell system. One unique human scFv antibody specific for EV71 virus VP1 protein was obtained by ELISA, IFA and analysis of the antibody DNA sequence. The specific anti-VP1 human scFv antibody was converted to full human IgG antibody with recombinant baculovirus/insect cell system. The full human IgG antibody was tested in vitro for EV71 virus neutralization, resulting in no neutralizing activity with EV71 A type and EV71 C4 subtype. The obtained human anti-EV71 antibodies without neutralizing activity laid the foundation for diagnosis of human EV71-associated hand-foot-and-mouth disease.

  10. 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.

  11. Well-defined transition metal hydrides in catalytic isomerizations.

    Science.gov (United States)

    Larionov, Evgeny; Li, Houhua; Mazet, Clément

    2014-09-07

    This Feature Article intends to provide an overview of a variety of catalytic isomerization reactions that have been performed using well-defined transition metal hydride precatalysts. A particular emphasis is placed on the underlying mechanistic features of the transformations discussed. These have been categorized depending upon the nature of the substrate and in most cases discussed following a chronological order.

  12. Isomerization of metastable amine radical cations by dissociation-recombination

    DEFF Research Database (Denmark)

    Pedersen, Anders Holmen; Nielsen, Christian Benedikt; Bojesen, Gustav

    2015-01-01

    The metastable molecular ions of primary aliphatic amines branched at C2 can isomerize by cleavage-recombination, thereby facilitating fragmentation reactions that require less energy than simple cleavage of the initial molecular ion. This process complements the reactions described by Audier to ...

  13. Isomerization of β-carotene by titanium tetrachloride catalyst

    Indian Academy of Sciences (India)

    Isomerization of all-trans--carotene occurs during shaking with 0.5% of titanium tetrachloride catalyst in methylene chloride at room temperature. In the present study we compared two types of columns C18 and C30 and various solvent systems for the separation of -carotene and its cis isomers by high performance liquid ...

  14. Coherent Control of the Photo-isomerization of Retinal in Bacteriorhodopsin

    Science.gov (United States)

    Miller, R. J. Dwayne

    2007-03-01

    Proteins are highly evolved structures in which their central role is to direct chemical or solar energy into functions. A central tenet in biology is that proteins have evolved to stabilize the transition states processes directing energy transduction into functions. In the transition state region, the motions are fairly localized such the wave properties of matter can lead to destructive and constructive interferences that have a pronounced effect on transmission probabilities along reaction coordinates. Further, the time scale for motion through a transition state, often involving a conical intersection, is comparable to the currently believed decoherence times for electronic and vibrational degrees of freedom governing this motion. The question arises whether the phases of the underlying matter waves could play a role in directing biological processes. In order to address this question, we exploited coherent control protocols using shaped laser fields to determine whether or not the absolute quantum yield of the photo-isomerization of retinal in bacteriorhodopsin (bR) could be achieved using weak field conditions to probe the natural function. Through feedback-controlled amplitude and phase variation of the spectral components comprising the excitation pulse, we could selectively enhance or suppress the isomerization quantum yield by 20% in either direction. Our experimental observation illustrates that the wave properties of matter, as manifest on vibrational quantum coherences, can play a role in biological processes to the point that they can even be manipulated.

  15. Conformational isomerization and collisional cooling dynamics of bis(2-hydroxyphenyl)methane.

    Science.gov (United States)

    Pillsbury, Nathan R; Müller, Christian W; Zwier, Timothy S

    2009-04-30

    Stimulated emission pumping-population transfer spectroscopy (SEP-PTS) has been used to directly measure the energy threshold to isomerization between the two conformational isomers of bis(2-hydroxyphenyl)methane. These conformers have been shown in the preceding paper (DOI 10.1021/jp8098686) to be an OH...O H-bonded structure (conformer A) and a doubly OH() ...pi H-bonded conformer (conformer B). Lower and upper bounds on the energy threshold for A-->B isomerization are at 1344 and 1399 cm(-1), respectively, while the corresponding bounds on the B-->A isomerization are 1413 and 1467 cm(-1). The difference between these thresholds provides a measure of the relative energies of the two minima, with DeltaE(AB) = E(A) - E(B) = 14-123 cm(-1). The transition-state structure responsible for this energy threshold has been identified using DFT B3LYP, DFT M05-2X, and MP2 calculations, all with a 6-31+G* basis set. Only the DFT M05-2X calculations correctly reproduce both the energy ordering of the two minima and the magnitude of the barrier separating them. Below the energy threshold to isomerization, we have used the extensive Franck-Condon progressions present in the SEP spectrum of conformer A to undertake an SEP-PT study of its vibrational relaxation rate, as a function of internal energy over the 0-1200 cm(-1) region. The position of SEP excitation in the expansion was systematically varied in order to change the rate and number of cooling collisions that occur between SEP excitation and probe steps and the initial temperature at which SEP occurs. From this data set, three energy regimes were identified, each with a unique value of the average energy lost per collision with helium (region 1: 13 cm(-1)/collision for E = 300-1200 cm(-1), region 2: 0.6 cm(-1)/collision for E = 200-300 cm(-1), and region 3: 7 cm(-1)/collision for E < 200 cm(-1)). In region 1, the vibrational density of states is sufficient to support efficient loss of energy via Deltav = -1 collisions

  16. 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.

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

    Directory of Open Access Journals (Sweden)

    T. Dickel

    2015-05-01

    Full Text Available 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Dickel, T. [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Plaß, W.R., E-mail: Wolfgang.R.Plass@exp2.physik.uni-giessen.de [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Ayet San Andres, S. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Ebert, J. [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); Geissel, H.; Haettner, E. [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Hornung, C. [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); Miskun, I. [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Pietri, S.; Purushothaman, S. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); and others

    2015-05-11

    {sup 211}Po ions in the ground and isomeric states were produced via {sup 238}U projectile fragmentation at 1000 MeV/u. The {sup 211}Po 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.

  19. 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.

  20. 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.

  1. Attachment of Low-Energy Electrons (0-10 Ev) to Polyatomic Molecules

    Science.gov (United States)

    Spyrou, Spyros Michael

    Attachment of low-energy electrons (0-10 eV) to six normal perfluoroalkanes {n-C(,N)F(,2N+2)(N = 1 -6)}, three isomeric perfluoroalkanes (i-C(,4)F(,10), i-C(,5)F(,12), neo-C(,5)F(,12)), one cyclic perfluorocarbon (c-C(,5)F(,10)), four fluoroethers (CF(,3)OCF(,3), CF(,3)OCF(,2)H, CF(,2)HOCF(,2)H, and CF(,3)OCH(,3)), two fluorosulphides (CF(,3)SCF(,3) and CF(,3)SCH(,3)), and the freon CClF(,3) has been studied using a time-of-flight mass spectrometer. The molecules n-C(,N)F(,2N+2) (N = 4-6), i-C(,4)F(,10), i-C(,5)F(,12), neo-C(,5)F(,12), and c-C(,5)F(,10) were found to attach electrons dissociatively and/or nondissociatively. The autodetachment lifetimes, (tau)(,a), of the long-lived metastable parent and fragment anions of all these molecules were measured. Additionally, for those long-lived anions whose cross section was large, the variation of (tau)(,a) with incident electron energy was measured. On the other hand, for the lower normal perfluoroalkanes (N = 1-3), the fluoroethers, the fluorosulphides, and the CClF(,3) molecules studied, only fragment negative ions were observed. The relative cross sections for all observed negative ions have been measured and corrected for the finite width of the electron pulse using an unfolding procedure. Possible fragmentation mechanisms of the dissociative negative ion states (NISs) leading to the production of the observed fragment anions have been suggested and discussed. From the appearance onsets of a number of fragment negative ions, various bond dissociation energies, heats of formation, and electron affinities of certain fragments have been determined and are reported. The separation times of the dissociating fragments and the autodetachment lifetimes of the extremely short-lived ((TURN)10('-15) s) and dissociating NISs of CF(,4) and C(,2)F(,6) were estimated. The effect of molecular size and geometry and the effect of atomic substitution in a molecule on its electron attaching properties are discussed in relation to

  2. A new device for combined Coulomb excitation and isomeric conversion electron spectroscopy with fast fragmentation beams

    Energy Technology Data Exchange (ETDEWEB)

    Clement, E. [CEA Saclay, DSM/DAPNIA/SPhN, F-91191 Gif-sur-Yvette (France); GANIL, BP-5027, F-14076 Caen Cedex (France); Goergen, A. [CEA Saclay, DSM/DAPNIA/SPhN, F-91191 Gif-sur-Yvette (France)], E-mail: andreas.goergen@cea.fr; Korten, W. [CEA Saclay, DSM/DAPNIA/SPhN, F-91191 Gif-sur-Yvette (France); Buerger, A. [CEA Saclay, DSM/DAPNIA/SPhN, F-91191 Gif-sur-Yvette (France); Helmholtz-Institut fuer Strahlen- und Kernphysik, Universitaet Bonn, D-53115 Bonn (Germany); Chatillon, A.; Le Coz, Y.; Theisen, Ch. [CEA Saclay, DSM/DAPNIA/SPhN, F-91191 Gif-sur-Yvette (France); Zielinska, M. [CEA Saclay, DSM/DAPNIA/SPhN, F-91191 Gif-sur-Yvette (France); Heavy Ion Laboratory, Warsaw University, Warsaw PL-02097 (Poland); Blank, B. [CEN Bordeaux-Gradignan, Universite Bordeaux I-CNRS/IN2P3, F-33175 Gradignan Cedex (France); Davies, P.J.; Fox, S.P. [Department of Physics, University of York, York YO10 5DD (United Kingdom); Gerl, J. [Gesellschaft fuer Schwerionenforschung, D-64291 Darmstadt (Germany); Georgiev, G.; Grevy, S. [GANIL, BP-5027, F-14076 Caen Cedex (France); Iwanicki, J. [Heavy Ion Laboratory, Warsaw University, Warsaw PL-02097 (Poland); Jenkins, D.G.; Johnston-Theasby, F.; Joshi, P. [Department of Physics, University of York, York YO10 5DD (United Kingdom); Matea, I. [CEN Bordeaux-Gradignan, Universite Bordeaux I-CNRS/IN2P3, F-33175 Gradignan Cedex (France); Napiorkowski, P.J. [Heavy Ion Laboratory, Warsaw University, Warsaw PL-02097 (Poland)] (and others)

    2008-03-21

    A new setup has been designed to perform Coulomb excitation experiments with fragmentation beams at intermediate energy and to measure at the same time conversion electrons from isomeric states populated in the fragmentation reaction. The newly designed setup is described and experimental results from a first experiment are shown. Radioactive even-even nuclei in the mass region A{approx_equal}70 close to the N=Z line were Coulomb excited after fragmentation of an intense primary {sup 78}Kr beam and selection in flight with the LISE3 spectrometer at GANIL. The {gamma} rays emitted after Coulomb excitation were detected in an array of four large segmented HPGe clover detectors in a very close geometry. The scattered ions were identified in a stack of highly segmented annular silicon detectors combined with a time-of-flight measurement using beam tracking detectors. Conversion electrons from isomeric 0{sub 2}{sup +} states decaying via electric monopole transitions were detected in an array of segmented cooled silicon detectors surrounding a telescope of plastic scintillators. Reduced transitions probabilities B(E2;0{sub 1}{sup +}{yields}2{sub 1}{sup +}) were deduced for several stable and radioactive nuclei.

  3. Taple-top imaging of the non-adiabatically driven isomerization in the acetylene cation

    Science.gov (United States)

    Beaulieu, Samuel; Ibrahim, Heide; Wales, Benji; Schmidt, Bruno E.; Thiré, Nicolas; Bisson, Éric; Hebeisen, Christoph T.; Wanie, Vincent; Giguere, Mathieu; Kieffer, Jean-Claude; Sanderson, Joe; Schuurman, Michael S.; Légaré, François

    2014-05-01

    One of the primary goals of modern ultrafast science is to follow nuclear and electronic evolution of molecules as they undergo a photo-chemical reaction. Most of the interesting dynamics phenomena in molecules occur when an electronically excited state is populated. When the energy difference between electronic ground and excited states is large, Free Electron Laser (FEL) and HHG-based VUV sources were, up to date, the only light sources able to efficiently initiate those non-adiabatic dynamics. We have developed a simple table-top approach to initiate those rich dynamics via multiphoton absorption. As a proof of principle, we studied the ultrafast isomerization of the acetylene cation. We have chosen this model system for isomerization since the internal conversion mechanism which leads to proton migration is still under debate since decades. Using 266 nm multiphoton absorption as a pump and 800 nm induced Coulomb Explosion as a probe, we have shoot the first high-resolution molecular movie of the non-adiabatically driven proton migration in the acetylene cation. The experimental results are in excellent agreement with high level ab initio trajectory simulations.

  4. Femtosecond isomerization dynamics in the ethylene cation measured in an EUV-pump NIR-probe configuration

    Energy Technology Data Exchange (ETDEWEB)

    van Tilborg, Jeroen; Allison, Tom; Wright, Travis; Hertlein, Marc; Falcone, Roger; Liu, Yanwei; Merdji, Hamed; Belkacem, Ali

    2009-03-17

    Dynamics in the excited ethylene cation C{sub 2}H{sub 4}{sup +} lead to isomerization to the ethylidene configuration (HC-CH{sub 3}){sup +}, which is predicted to be a transient configuration for electronic relaxation. With an intense femtosecond EUV (extreme ultraviolet) pump pulse to populate the excited state, and an NIR (near infrared) probe pulse to produce the fragments CH{sup +} and CH{sub 3}{sup +} (which provides a direct signature of ethylidene), we measure optimum fragment yields at a probe delay of 80 fs. Also, an H{sub 2}-stretch transient configuration, yielding H{sub 2}{sup +} upon probing, is found to succeed the ethylidene configuration. We find that a simple single- or double-decay model does not match the data, and we present a modified model (introduction of an isomerization delay of 50 {+-} 25 fs) that does provide agreement.

  5. 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.

  6. Potentials and capabilities of the Extracellular Vesicle (EV Array

    Directory of Open Access Journals (Sweden)

    Malene Møller Jørgensen

    2015-04-01

    Full Text Available Extracellular vesicles (EVs and exosomes are difficult to enrich or purify from biofluids, hence quantification and phenotyping of these are tedious and inaccurate. The multiplexed, highly sensitive and high-throughput platform of the EV Array presented by Jørgensen et al., (J Extracell Vesicles, 2013; 2: 10 has been refined regarding the capabilities of the method for characterization and molecular profiling of EV surface markers. Here, we present an extended microarray platform to detect and phenotype plasma-derived EVs (optimized for exosomes for up to 60 antigens without any enrichment or purification prior to analysis.

  7. 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 (CH2Cl2). 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.

  8. Femtosecond dynamics of fundamental reaction processes in liquids: Proton transfer, geminate recombination, isomerization and vibrational relaxation. [Spiropyrans

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, B.J.

    1992-11-01

    The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured and effects of external hydrogen-bonding interactions on the proton transfer are studied. The proton transfer takes place in [approximately]240 fsec in nonpolar environments, but becomes faster than instrumental resolution of 110 fsec in methanol solution. The dynamics following photodissociation of CH[sub 2]I[sub 2] and other small molecules provide the first direct observations of geminate recombination. The recombination of many different photodissociating species occurs on a [approximately]350 fsec time scale. Results show that recombination yields but not rates depend on the solvent environment and suggest that recombination kinetics are dominated by a single collision with surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. Data show no simple correlation between hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes, implying that the isomerization does not provide a suitable for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial steps of the photochromic reaction process occur extremely rapidly. Laser system and computer codes for data analysis are discussed.

  9. Stabilization, isomerization and rearrangement of enyne [4 + 4]-cycloadducts.

    Science.gov (United States)

    Kulyk, Svitlana; Khatri, Buddha B; Sieburth, Scott McN

    2014-08-15

    Reactive 1,2,5-cyclooctatrienes, formed by photocycloaddition of 2-pyridones with enynes, are stabilized by steric shielding, slowing or preventing an otherwise facile [2 + 2]-dimerization reaction. Diisopropylsilyl ether-tethered reactants paired with an alkene substituent (R) produce allenes that are stable (R = TMS) or that isomerize to 1,3-dienes by hydrogen migration (R = alkyl). Under acidic conditions, hydrolysis of the photoproduct's silyl ether can lead to a [3,3]-sigmatropic rearrangement.

  10. Baseline Testing of the EV Global E-Bike SX

    Science.gov (United States)

    Eichenherg, 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 as an update of the state of the art in hybrid electric bicycles. The E-bike is seen as a way to reduce pollution in urban areas, reduce fossil fuel consumption, and reduce operating costs for transportation systems. The work was done under the Hybrid Power Management (HPM) Program, which includes the Hybrid Electric Transit Bus (HETB). The SX is a high performance, state of the art, ground up, hybrid electric bicycle. Unique features of the SX's 36 V 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. 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 SX, the results of performance testing, and future vehicle development plans are given in this report. The report concludes that the SX provides excellent performance, and that the implementation of ultracapacitors in the power system can provide significant performance improvements.

  11. 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.

  12. Chemical and physical properties of isomeric glyceryl monoethers.

    Science.gov (United States)

    Wood, R; Snyder, F

    1967-03-01

    Long-chain saturated and mono- and diunsaturated 1- and 2-glyceryl monoethers were synthesized by reacting 1,2-isopropylidene and 1.3-benzylidene glycerol potassium salts with alkyl halides in the preparation of the saturated monoethers, and with alkenyl-p-toluenesulfonates in the preparation of the unsaturated monoethers, followed by hydrolysis of the blocking groups with boric acid. The progress of the reaction was monitored by gasliquid chromatography (GLC) of the reaction mixture. The 2-glyceryl ethers, with two exceptions, had not been prepared previously. Normal propyl and 3-pentyl octadecyl ethers also were synthesized to aid in the interpretation of infrared (IR) and nuclear magnetic resonance (NMR) spectra. All the ethers prepared were purified by preparative thin-layer chromatography (TLC) and crystallization. Their purity was found to be greater than 95%, as determined by TLC and GLC, supported by NMR and IR spectra. The isomeric 1- and 2-glyceryl ethers were separated on Silica Gel G adsorbent layers impregnated with either sodium arsenite or boric acid and their TLC behavior interpreted, based on the polarity of the complexes formed. Melting point determinations indicated more than one polymorphic form. Comparison of IR and NMR spectra of the saturated and unsaturated isomeric glyceryl ethers, and various derivatives, demonstrated the applicability of these spectroscopy methods for characterization and structural determination, in addition to distinguishing between the two isomeric forms.

  13. A bisazobenzene crosslinker that isomerizes with visible light

    Directory of Open Access Journals (Sweden)

    Subhas Samanta

    2012-12-01

    Full Text Available Background: Large conformational and functional changes of azobenzene-modified biomolecules require longer azobenzene derivatives that undergo large end-to-end distance changes upon photoisomerization. In addition, isomerization that occurs with visible rather than UV irradiation is preferred for biological applications.Results: We report the synthesis and characterization of a new crosslinker in which a central piperazine unit links two azobenzene chromophores. Molecular modeling indicates that this crosslinker can undergo a large change in end-to-end distance upon trans,trans to cis,cis isomerization. Photochemical characterization indicates that it does isomerize with visible light (violet to blue wavelengths. However, the thermal relaxation rate of this crosslinker is rather high (τ½ ~ 1 s in aqueous buffer at neutral pH so that it is difficult to produce large fractions of the cis,cis-species without very bright light sources.Conclusion: While cis-lifetimes may be longer when the crosslinker is attached to a biomolecule, it appears the para-piperazine unit may be best suited for applications where rapid thermal relaxation is required.

  14. Industrial Aplication of Catalytic Systems for n-Heptane Isomerization

    Directory of Open Access Journals (Sweden)

    Laura Olivia Alemán-Vázquez

    2011-07-01

    Full Text Available The ideal gasoline must have a high pump octane number, in the 86 to 94 range, and a low environmental impact. Alkanes, as a family, have much lower photochemical reactivities than aromatics or olefins, but only the highly branched alkanes have adequate octane numbers. The purpose of this work is to examine the possibilities of extending the technological alternative of paraffin isomerization to heavier feedstocks (i.e., n-heptane using non-conventional catalytic systems which have been previously proposed in the literature: a Pt/sulfated zirconia catalyst and a molybdenum sub-oxide catalyst. Under the experimental conditions at which these catalysts have been evaluated, the molybdenum sub-oxide catalyst maintains a good activity and selectivity to isomerization after 24 h, while the Pt/sulfated zirconia catalyst shows a higher dimethylpentanes/methylhexanes ratio, probably due to a lower operating temperature, but also a high formation of cracking products, and presents signs of deactivation after 8 h. Though much remains to be done, the performance of these catalysts indicates that there are good perspectives for their industrial application in the isomerization of n-heptane and heavier alkanes.

  15. 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...

  16. 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...

  17. 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....

  18. EV and HP Providing Ancillary Services in the Nordic Region

    DEFF Research Database (Denmark)

    Liu, Zhaoxi; Wu, Qiuwei

    This report covers the analysis of the electric vehicle (EV) and heat pump (HP) providing ancillary services to the power system of the Nordic region including Denmark, Finland, Norway and Sweden. The analysis is to investigate the feasibility of EVs and HPs to serve as demand as frequency reserve...... (DFR) providers in the distribution power system in the four mentioned Nordic countries....

  19. Tunneling in high-K isomeric decays

    CERN Document Server

    Shizuma, T; Shimizu, Y R

    2002-01-01

    We have systematically investigated highly-K-forbidden transitions observed in the Hf, W and Os region, using the gamma-tunneling model in which low-K and high-k states interact through a process of quantum tunneling. The measured hindrance factors are compared with the values calculated using the gamma-tunneling model. Isotope dependences of gamma-tunneling probabilities particularly for neutron-rich nuclei and the relation to stimulated decays of isomers are discussed. (author)

  20. Using torsional forces to explain the gradient temperature Raman spectra of endosulfan isomers and its irreversible isomerization

    Science.gov (United States)

    Schmidt, Walter F.; Hapeman, Cathleen J.; McConnell, Laura L.; Rice, Clifford P.; Broadhurst, C. Leigh; Nguyen, Julie K.; Qin, Jianwei; Chao, Kuanglin; Kim, Moon S.; Shelton, Daniel R.

    2017-07-01

    Since the 1950's, the broad-spectrum, organochlorine insecticide endosulfan (6,7,8, 9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine-3-oxide) has been used on numerous crops. Due to its persistence, bioaccumulation, long-range transport, and adverse effects to human health and ecosystems, it was officially identified as a persistent organic pollutant (POP) in 2011. The last uses in the United States were phased out in 2016. Endosulfan consists of two diastereomers, α-endosulfan and β-endosulfan, and while the α-isomer exists as two asymmetrical, twist-chair enantiomers which interchange, the β-isomer is a symmetrical-chair conformation. In addition, the β-isomer was found to isomerize to the α-isomer. Gradient Temperature Raman Spectroscopy (GTRS) enables identification the molecular sites at which bending vibrational modes becomes twisting or wagging vibrational modes. Previous studies using GTRS and chemical calculations afforded evidence for specific bond movements and the irreversibility of the isomerization mechanism. However, not all of the vibrational modes observed in the spectra could be explained. Thus, new analyses of the GTRS data were conducted to examine the effects of torsional forces on the bond movement, which allowed for the identification of all the peaks. These newly-identified torsional forces provide further confirmation of the isomerization mechanism and its irreversibility. Finally, this isomerization explains why β-endosulfan is rarely detected in the atmosphere.

  1. Photoionisation of Cl$^+$ from the $3s^23p^4\\;^3P_{2,1,0}$ and the$3s^23p^4\\;^1D_2, ^1S_0$ states in the energy range 19 - 28 eV

    CERN Document Server

    McLaughlin, Brendan M

    2016-01-01

    Absolute photoionisation cross sections for the Cl$^+$ ion in its ground and the metastable states; $3s^2 3p^4\\; ^3P_{2,1,0}$, and $3s^2 3p^4\\; ^1D_2,\\; ^1S_0$, were measured recently at the Advanced Light Source ALS) at Lawrence Berkeley National Laboratory using the merged beams photon-ion technique at an photon energy resolution of 15 meV in the energy range 19 -- 28 eV. These measurements are compared with large-scale Dirac Coulomb {\\it R}-matrix calculations in the same energy range. Photoionisation of this sulphur-like chlorine ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionisation continuum. A wealth of resonance features observed in the experimental spectra are spectroscopically assigned and their resonance parameters tabulated and compared with the recent measurements. Metastable fractions in the parent ion beam are determined from the present study. Theoretical resonance energies and quantum defects of the prominent Rydberg series $3s^2 3p...

  2. 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.

  3. Chemical isomeric effects on propanol glassy structures

    CERN Document Server

    Cuello, G J; Bermejo, F J; Cabrillo, C

    2002-01-01

    We have studied the structure of both propanol isomers in their glassy and crystalline states by neutron diffraction. The glass-transition temperatures of 1- and 2-propanol are about 98 and 115 K, respectively and, surprisingly, even larger differences are observed for the melting temperatures of the stable crystals, which are 148 and 185 K, respectively. Their supercooled liquid phases show rather different relaxation spectra, 1-propanol manifesting strong deviations from Debye behavior, whereas 2-propanol shows a far weaker effect. We discuss the spectra obtained for the static structure factor and the static pair correlation function D(r). There is a noticeable difference in the position of the first sharp diffraction peak, which clearly indicates a density change, well correlated with the period of the intermolecular oscillations shown by D(r). (orig.)

  4. 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.

  5. Inhibition of Enterovirus 71 (EV-71) Infections by a Novel Antiviral Peptide Derived from EV-71 Capsid Protein VP1

    Science.gov (United States)

    Tan, Chee Wah; Chan, Yoke Fun; Sim, Kooi Mow; Tan, Eng Lee; Poh, Chit Laa

    2012-01-01

    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 IC50 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. PMID:22563456

  6. CONTINUOUS DEPLOYMENT WORKFLOW : Case Lego Mindstorms EV3

    OpenAIRE

    Alatalo, Janne

    2014-01-01

    This thesis was created for N4S@JAMK project. The N4S@JAMK project is part of Need4Speed program run by DIGILE. The assignment for this thesis had two focuses: to create a continuous deployment chain that would deploy software to a Lego Mindstorms EV3 device, and to study ways to unit test the software of EV3 device on a normal computer. The continuous deployment chain was implemented using GitLab, Jenkins programs and Fabric python framework. Lego Mindstorms EV3 device had a third party ...

  7. PAH chemistry at eV internal energies. 1. H-shifted isomers

    Science.gov (United States)

    Trinquier, Georges; Simon, Aude; Rapacioli, Mathias; Gadéa, Florent Xavier

    2017-06-01

    The PAH family of organic compounds (polycyclic aromatic hydrocarbons), involved in several fields of chemistry, has received particular attention in astrochemistry, where their vibrational spectroscopy, thermodynamics, dynamics, and fragmentation properties are now abundantly documented. This survey aims at drawing trends for low spin-multiplicity surfaces of PAHs bearing internal energies in the range 1-10 eV. It addresses some typical alternatives to the ground-state regular structures of PAHs, making explicit possible intramolecular rearrangements leading to high-lying minima. These isomerisations should be taken into consideration when addressing PAH processing in astrophysical conditions. The first part of this double-entry study focuses on the hydrogen-shifted forms, which bear both a carbene center and a saturated carbon. It rests upon DFT calculations mainly performed on two emblematic PAH representatives, coronene and pyrene, in their neutral and mono- and multi-cationic states. Systematically searched for in neutral species, these H-shifted minima are lying 4-5 eV above the regular all-conjugated forms, and are separated by barriers of about 1 eV. General hydrogen-shifting is found to be easier for cationic species as the relative energies of their H-shifted minima are 1-1.5 eV lower than those for neutral species. As much as possible, classical knowledge and concepts of organic chemistry such as aromaticity and Clar's rules are invoked for result interpretation.

  8. 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.

  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. Separation of isomeric xylenes by pervaporation through cellulose ester membranes

    OpenAIRE

    Mulder, M.H.V.; Kruitz, F.; Smolders, C.A.

    1982-01-01

    The interaction between the isomeric xylenes and different cellulose esters was investigated using solubility parameter considerations and through measurements of swelling values. p]Hansen's three-dimensional solubility parameters δd, δp, δh of all the components have been calculated. These values have been used to predict the interaction between polymer and penetrant. A measure for this interaction is given by Δ, which is the distance between polymer and penetrant in the δd, δr, δh space. As...

  11. 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.

  12. 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

  13. 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...

  14. 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...

  15. 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.

  16. Reversible isomerization of chromogenic dimers and the nature of azulene chromaticity

    Science.gov (United States)

    Mikheev, Yu. A.; Guseva, L. N.; Ershov, Yu. A.

    2010-11-01

    The spectra of azulene solutions in siloxane and heptadecane were studied. The VIS band (435-714 nm) associated with the color blue was shown to transform reversibly as a result of a temperature increase and to assume a likeness to the less intensive VIS band typical for solutions in polar ethanol and dibutyl phthalate. It was concluded that supramolecular dimers rather than individual molecules are the chromogens of azulene, just as in the case of phthalocyanine, triphenylmethane, xanthene, and thiazine dyes. Clar's conclusions regarding the nature of the visible band of azulene absorption and the mechanism of reversible thermal discoloration of azulene solutions in high-boiling-point hydrocarbons are consequently wrong. It was established that the thermochromism of azulene solutions is actually not associated with the isomerization of azulene molecules into nonplanar nonaromatic molecules but with the reversible isomerization of dimeric structures, accompanied by a change in the positions of the aromatic molecules relative to one another. The corresponding equilibrium is somewhat endothermic: Δ H = 6.6 kJ/mol, Δ G o ≈ - 1.45 kJ/mol. Based on these results, it was concluded that light absorption changes the energetic state of the dimeric structures (transition S D→ S {D/*}) without leading to electron transfer in single molecules according to the scheme S 0 → S 1. That is, the traditional idea that Kasha's law is violated when azulene fluoresces is incorrect, since the radiation comes from the S 1 level and not from the S 2 level, as is stated in the literature.

  17. Järjekordne keelepäev Hamburgis (Emakeelepäev Hamburgis) I-III / Liilika M. Allev

    Index Scriptorium Estoniae

    Allev, Liilika M.

    2007-01-01

    Seekord oli keskseks teemaks lapse keeleareng, korraldajateks EV Haridus- ja Teadusministeerium, Eesti Keeleinstituut ja EÜSLi HEA Selts. Keelepoliitikast. Kuidas eesti laps rääkima hakkab? Kakskeelsuse omandamine

  18. 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.

  19. Valence and inner-valence shell dissociative photoionization of CO in the 26-33 eV range. II. Molecular-frame and recoil-frame photoelectron angular distributions

    DEFF Research Database (Denmark)

    Lebech, M.; Houver, J.C.; Raseev, G.

    2012-01-01

    V, and 32.5 eV. A comparison of experimental and theoretical RFPADs allows us to identify the ionic states detected in the experimental studies. In addition to previously identified states, we found evidence for the 2 (2)Delta state with an ionization potential of 25.3 eV and (2)Sigma(+) states...

  20. Model-based design and analysis of glucose isomerization process operation

    DEFF Research Database (Denmark)

    Papadakis, Emmanouil; Pedersen, Sven; Kumar Tula, Anjan

    2017-01-01

    The application of model-based methods for design and analysis of operational improvements of an industrial glucose isomerization (GI) process is highlighted. First, a multi-scale mathematical model representing important phenomena encountered in the reaction system of a glucose isomerization rea...

  1. 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.

  2. 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...

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

    OpenAIRE

    Chuzlov Vjacheslav; 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.

  4. Tandem Ring-Closing Metathesis/Isomerization Reactions for the Total Synthesis of Violacein

    DEFF Research Database (Denmark)

    Petersen, Mette T.; 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...

  5. 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.

  6. Isomerization Reactions of Allylic Alcohols into Ketones with the Grubbs Reagent

    Directory of Open Access Journals (Sweden)

    Motoo Tori

    2004-06-01

    Full Text Available Allylic alcohols were isomerized into ketones by the action of the Grubbs reagent. Some model alcohols were prepared and tested under similar conditions to reveal that less substituted alkenes rearrange more easily. More hindered alcohols are stable under these conditions, however, the simple allylic alcohols tend to isomerize producing ethyl ketone and the corresponding degraded methyl ketone.

  7. 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

  8. Studies of some isomeric yield ratios produced with bremsstrahlung

    CERN Document Server

    Kolev, D

    1998-01-01

    The experimental isomeric ratios for sup 5 sup 2 sup m sup , sup g Mn, sup 8 sup 6 sup m sup , sup g Y, sup 8 sup 7 sup m sup , sup g Y, sup 8 sup 9 sup m sup , sup g Zr, sup 1 sup 1 sup 0 sup m sup , sup g In, sup 1 sup 1 sup 1 sup m sup , sup g In, sup 1 sup 1 sup 2 sup m sup , sup g In, sup 1 sup 5 sup 2 sup m sup 1 sup , sup g Pm, sup 1 sup 5 sup 2 sup m sup 2 sup , sup m sup 1 Eu, sup 1 sup 6 sup 2 sup m sup , sup g Ho, sup 1 sup 6 sup 4 sup m sup , sup g Ho and sup 1 sup 7 sup 8 sup m sup , sup g Lu measured by the activation technique from different targets in (gamma, xnp) reactions (x<=3) at the bremsstrahlung end-point energy of 43 MeV are presented. The predictions of calculations performed by means of compound nucleus particle evaporation and final gamma-deexcitation were critically discussed. The importance of inclusion in the calculations of nonequilibrium particle emission and an adequate gamma-decay mode of isomeric nuclei was considered for some of the reactions investigated.

  9. Methods of refining and producing isomerized fatty acid esters and fatty acids from natural oil feedstocks

    Energy Technology Data Exchange (ETDEWEB)

    Snead, Thomas E.; Cohen, Steven A.; Gildon, Demond L.; Beltran, Leslie V.; Kunz, Linda A.; Pals, Tessa M.; Quinn, Jordan R; Behrends, Jr., Raymond T.; Bernhardt, Randal J.

    2016-07-05

    Methods are provided for refining natural oil feedstocks and producing isomerized esters and acids. The methods comprise providing a C4-C18 unsaturated fatty ester or acid, and isomerizing the fatty acid ester or acid in the presence of heat or an isomerization catalyst to form an isomerized fatty ester or acid. In some embodiments, the methods comprise forming a dibasic ester or dibasic acid prior to the isomerizing step. In certain embodiments, the methods further comprise hydrolyzing the dibasic ester to form a dibasic acid. In certain embodiments, the olefin is formed by reacting the feedstock in the presence of a metathesis catalyst under conditions sufficient to form a metathesized product comprising olefins and esters, separating the olefins from the esters in the metathesized product, and transesterifying the esters in the presence of an alcohol to form a transesterified product having unsaturated esters.

  10. 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.

  11. cis to trans isomerization of azobenzene derivatives studied with transition path sampling and QM/MM molecular dynamics.

    Science.gov (United States)

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

    2018-02-21

    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 azobenze 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

  12. Demand power with EV charging schemes considering actual data

    Directory of Open Access Journals (Sweden)

    Jun-Hyeok Kim

    2016-01-01

    Full Text Available Eco-friendly energies have recently become a popular topic. Given this trend, we predict that a large number of electric vehicles (EVs will be widely used. However, EVs need to be connected to a power system for charging, thereby causing severe risks, such as rapid increase of demand power. Therefore, in this study, we analyze the effects of EV charging on demand power, which depend on different charging schemes, namely, dumb charging, off-peak charging, time-of-use (ToU price-based charging. For practical analysis, we conduct simulations by considering the actual power system and driving patterns in South Korea. Simulation results show that the ToU price-based charging scheme exhibits better performance in terms of demand power over the other charging schemes.

  13. Actual preferences for EV households in Denmark and Sweden

    DEFF Research Database (Denmark)

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

    Battery electric vehicles (EVs) have received vast attention in the recent decade, especially due to their potential environmental benefits. The car industry has invested huge amounts in the battery electric vehicle technology, leading to a much larger selection of car models with better comfort......, driving range and options for recharging the batteries. Several studies have indicated that a great share of car households would now be able to maintain their current mobility patterns with only a minor level of adaption (Christensen 2011; Pearre et al. 2011; Greaves et al. 2014). Still, the driving...... be reduced. Thus, the EV alternative has changed from being a product for a very small group of enthusiasts to being an actual car alternative for a common household and knowledge about which type of households would be interested in EVs is extremely valuable for both industry and policy makers. However...

  14. 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.

  15. The zeolite mediated isomerization of allyl phenyl ether

    Science.gov (United States)

    Pebriana, R.; Mujahidin, D.; Syah, Y. M.

    2017-04-01

    Allyl phenyl ether is an important starting material in organic synthesis that has several applications in agrochemical industry. The green transformation of allyl phenyl ether assisted by heterogeneous catalyst is an attractive topic for an industrial process. In this report, we investigated the isomerization of allyl phenyl ether by heating it in zeolite H-ZSM-5 and Na-ZSM-5. The conversion of allyl phenyl ether (neat) in H-ZSM-5 was 67% which produced 40% of 2-allylphenol, 17% of 2-methyldihydrobenzofuran, and other product (4:1.7:1), while in Na-ZSM-5 produced exclusively 2-allylphenol with 52% conversion. These results showed that zeolite properties can be tuned to give a selective transformation by substitution of metal ion into the zeolite interior.

  16. Ultrafast isomerization initiated by X-ray core ionization.

    Science.gov (United States)

    Liekhus-Schmaltz, Chelsea E; Tenney, Ian; Osipov, Timur; Sanchez-Gonzalez, Alvaro; Berrah, Nora; Boll, Rebecca; Bomme, Cedric; Bostedt, Christoph; Bozek, John D; Carron, Sebastian; Coffee, Ryan; Devin, Julien; Erk, Benjamin; Ferguson, Ken R; Field, Robert W; Foucar, Lutz; Frasinski, Leszek J; Glownia, James M; Gühr, Markus; Kamalov, Andrei; Krzywinski, Jacek; Li, Heng; Marangos, Jonathan P; Martinez, Todd J; McFarland, Brian K; Miyabe, Shungo; Murphy, Brendan; Natan, Adi; Rolles, Daniel; Rudenko, Artem; Siano, Marco; Simpson, Emma R; Spector, Limor; Swiggers, Michele; Walke, Daniel; Wang, Song; Weber, Thorsten; Bucksbaum, Philip H; Petrovic, Vladimir S

    2015-09-10

    Rapid proton migration is a key process in hydrocarbon photochemistry. Charge migration and subsequent proton motion can mitigate radiation damage when heavier atoms absorb X-rays. If rapid enough, this can improve the fidelity of diffract-before-destroy measurements of biomolecular structure at X-ray-free electron lasers. Here we study X-ray-initiated isomerization of acetylene, a model for proton dynamics in hydrocarbons. Our time-resolved measurements capture the transient motion of protons following X-ray ionization of carbon K-shell electrons. We Coulomb-explode the molecule with a second precisely delayed X-ray pulse and then record all the fragment momenta. These snapshots at different delays are combined into a 'molecular movie' of the evolving molecule, which shows substantial proton redistribution within the first 12 fs. We conclude that significant proton motion occurs on a timescale comparable to the Auger relaxation that refills the K-shell vacancy.

  17. 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.

  18. Kinetic energy dependence of fission fragment isomeric ratios for spherical nuclei 132Sn

    Science.gov (United States)

    Chebboubi, A.; Kessedjian, G.; Litaize, O.; Serot, O.; Faust, H.; Bernard, D.; Blanc, A.; Köster, U.; Méplan, O.; Mutti, P.; Sage, C.

    2017-12-01

    Isomeric ratios are a powerful observable to investigate fission fragment total angular momenta. A recent experimental campaign achieved at the LOHENGRIN spectrometer, shows a kinetic energy dependence of μs isomeric ratios from fission fragments populated in neutron induced fission of 235U. For the first time, this dependence was measured for the isomeric ratio of the doubly magic 132Sn. A Bayesian assessment of the angular momentum distribution of 132Sn is proposed according to calculations performed with the FIFRELIN code and interpreted with spin generation models.

  19. "Viimne võttepäev" Taevaskojas / Kristi Kasper

    Index Scriptorium Estoniae

    Kasper, Kristi

    1999-01-01

    23. juulil esietendus Taevaskojas vabaõhulavastus "Viimne võttepäev", mille autorid on Jüri Ehlvest, Margus Kasterpalu ja Ilmar Raag. See on ajaloolisele tõele mitte pretendeeriv fantaasia filmi "Viimne reliikvia" sünnist

  20. 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

  1. Haapsalu-Pärnu plakatitelg / Marko Kekišev

    Index Scriptorium Estoniae

    Kekišev, Marko

    2009-01-01

    Haapsalu graafilise disaini festivali külalisnäitused Pärnu Linnagaleriis alates 4. juulist, kuraator Marko Kekišev. Rahvusvaheline graafilise disaini näitus "Isikupära/Individuality 2009" ja näitus "Värske Eesti plakat"

  2. 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

  3. 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.

  4. Metalloenzyme-like catalyzed isomerizations of sugars by Lewis acid zeolites

    Science.gov (United States)

    Bermejo-Deval, Ricardo; Assary, Rajeev S.; Nikolla, Eranda; Moliner, Manuel; Román-Leshkov, Yuriy; Hwang, Son-Jong; Palsdottir, Arna; Silverman, Dorothy; Lobo, Raul F.; Curtiss, Larry A.; Davis, Mark E.

    2012-01-01

    Isomerization of sugars is used in a variety of industrially relevant processes and in glycolysis. Here, we show that hydrophobic zeolite beta with framework tin or titanium Lewis acid centers isomerizes sugars, e.g., glucose, via reaction pathways that are analogous to those of metalloenzymes. Specifically, experimental and theoretical investigations reveal that glucose partitions into the zeolite in the pyranose form, ring opens to the acyclic form in the presence of the Lewis acid center, isomerizes into the acyclic form of fructose, and finally ring closes to yield the furanose product. The zeolite catalysts provide processing advantages over metalloenzymes such as an ability to work at higher temperatures and in acidic conditions that allow for the isomerization reaction to be coupled with other important conversions. PMID:22665778

  5. Communication: Effective spectroscopic Hamiltonian for multiple minima with above barrier motion: Isomerization in HO(2).

    Science.gov (United States)

    Barnes, George L; Kellman, Michael E

    2010-09-14

    We present a two-dimensional potential surface for the isomerization in the hydroperoxyl radical HO(2) and calculate the vibrational spectrum. We then show that a simple effective spectroscopic fitting Hamiltonian is capable of reproducing large scale vibrational spectral structure above the isomerization barrier. Polyad breaking with multiple resonances is necessary to adequately describe the spectral features of the system. Insight into the dynamical nature of isomerization related to the effective Hamiltonian is gained through classical trajectories on the model potential. Contrary to physical intuition, the bend mode is not a "reaction mode," but rather isomerization requires excitation in both stretch and bend. The dynamics reveals a Farey tree formed from the 2:1 and 3:1 resonances, corresponding to the resonance coupling terms in the effective Hamiltonian, with the prominent 5:2 (2:1+3:1) feature dividing the tree into parts that we call the 3:1 and 2:1 portions.

  6. 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...

  7. 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

  8. [Step Fisher discriminant analysis on severe clinical features of hand foot and mouth disease between enterovirus (EV) 71 and other EV].

    Science.gov (United States)

    Ruan, Feng; Tan, Ai-jun; Zhang, Xue-bao; Chen, Xue-qin; Xiao, Song-jian; Ye, Zhong-wen; Wang, Song

    2011-07-01

    To compare the clinical features of severe hand foot and mouth disease between enterovirus (EV) 71 and other EV to find specific diagnosis index of EV71 severe hand foot and mouth disease. Case definition were adopted from national guideline of hand foot and mouth disease diagnose (Version 2010). Clinical data of severe hand foot and mouth disease came from case history and contents of questionnaire would include the ones between the time of onset and diagnoses being made. EV and EV71, Cox A16 nucleic acid tested were by RT-PCR in stool samples. Clinical features of severe hand foot and mouth disease between EV71 and other EV were compare. There appeared statistical differences between neurologic symptoms such as tremor, myoclonic jerk, listlessness, convulsion and white blood cell counts in CSF (P < 0.05). Results from the step Fisher discriminant analysis showed only tremor and white blood cell had an increase in CSF, with statistically significant differences. The discriminant equation of EV71 was Y = 3.059X(1) + 3.83X(5) - 2.742 and the equation of other EV was Y = 1.634X(1) + 1.623X(5) - 1.693. The specificity of EV71 was 91% and the specificity of other EV was 40%. The increase of clinical features of tremor and white blood cell in CSF could be used as diagnosis index of severe EV71.

  9. PV-to-EV schemes for photovoltaics integration and power balance

    Energy Technology Data Exchange (ETDEWEB)

    Lindgren, J.; Niemi, R.; Lund, P.D. [Aalto Univ. School of Science, Espoo-Otaniemi (Finland). New Energy Technologies Group

    2012-07-01

    In this paper the combined energy system effects from combined integrated schemes of renewable electricity (PV) and electrified vehicles (EV) are investigated. The analyses include optimized control of EVs, effects of large EV fleets on electricity price, and PV-EV integration. Key results show that optimal control strategy of EV may yield a 7 % improvement to the electric mileage. With these strategies, the market price of electricity market would be marginally affected by large EV schemes. Optimized EV-schemes would also enable PV integration into the electric system with minimal grid impact. (orig.)

  10. 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.

  11. Standards for EV charging and their usability for providing V2G services in the primary reserve market

    DEFF Research Database (Denmark)

    Martinenas, Sergejus; Vandael, Stijn; Andersen, Peter Bach

    2016-01-01

    Transition to sustainable energy and transport is inevitable, which brings new challenges for the existing power grid. Meanwhile, electric vehicles (EVs) are becoming more widespread and their potential for grid support services is becoming more evident. However, such intelligent integration of EVs...... into a smart grid is highly dependent on infrastructure and communication. This work overviews and analyses the current state of available standards in the field of eMobility. It particularly focuses on their usability for enabling V2G services such as primary frequency regulation....

  12. Metal-centred azaphosphatriptycene gear with a photo- and thermally driven mechanical switching function based on coordination isomerism.

    Science.gov (United States)

    Ube, Hitoshi; Yasuda, Yoshihiro; Sato, Hiroyasu; Shionoya, Mitsuhiko

    2017-02-08

    Metal ions can serve as a centre of molecular motions due to their coordination geometry, reversible bonding nature and external stimuli responsiveness. Such essential features of metal ions have been utilized for metal-mediated molecular machines with the ability to motion switch via metallation/demetallation or coordination number variation at the metal centre; however, motion switching based on the change in coordination geometry remain largely unexplored. Herein, we report a PtII-centred molecular gear that demonstrates control of rotor engagement and disengagement based on photo- and thermally driven cis-trans isomerization at the PtII centre. This molecular rotary motion transmitter has been constructed from two coordinating azaphosphatriptycene rotators and one PtII ion as a stator. Isomerization between an engaged cis-form and a disengaged trans-form is reversibly driven by ultraviolet irradiation and heating. Such a photo- and thermally triggered motional interconversion between engaged/disengaged states on a metal ion would provide a selector switch for more complex interlocking systems.

  13. 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.

  14. Open Innovation in EVs: A Case Study of Tesla Motors

    OpenAIRE

    Karamitsios, Achilleas

    2013-01-01

    This study examines the topic of open innovation in EVs. Initially a brief description of the concept of innovation and open innovation is carried out. Moreover, the three processes of open innovation are deployed while the coupled process is described in more detail. Furthermore, a short description is also given for corporate entrepreneurship, alliances, and the U.S. government policy. Also, this report considers Tesla Motors’ partnerships as a case study and it aims to give an insight of h...

  15. The Earned Value Body of Knowledge (EV-BOK)

    Science.gov (United States)

    2002-06-01

    Lillian Gilbreth • Henry Laurence Gantt • Henri Fayol • and others... Circa 1890s... ...in the Industrial Factories Exceptional = +1.0 Perfect...SUBTITLE The Earned Value Body of Knowledge (EV-BOK) Unclassified 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR( S ) Fleming...PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME AND ADDRESS OUSD(AT&L) Acquisition Resources & Analysis/Acquisition Management

  16. E&V Guidebook, Version 1.1

    Science.gov (United States)

    1989-08-15

    Oracles ) Instrumentation Aids Status Display Tools Data Reduction and Analysis Tools Decision Support Services Documentation Services Information...examinations of nttribute,. that are of specific interest to the potential buyer or user of an APSE. [ CRM : Whole APSE Issues 3., @RM: Capacity 6.4.6; @RM...a list of functional capabilities. [ CRM : Electronic Mail 7.2.1.4, @RM: Power 6.4.21] Primary References: [@E&V Schema 1987: B.; Classification Schena

  17. Photochemical generation, isomerization, and oxygenation of stilbene cation radicals

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, F.D.; Bedell, A.M.; Dykstra, R.E.; Elbert, J.E. (Northwestern Univ., Evanston, IL (USA)); Gould, I.R.; Farid, S. (Eastman Kodak Co., Rochester, NY (USA))

    1990-10-24

    The cation radicals of cis- and trans-stilbene and several of their ring-substituted derivatives have been generated in solution directly by means of pulsed-laser-induced electron transfer to singlet cyanoanthracenes or indirectly via electron transfer from biphenyl to the singlet cyanoanthracene followed by secondary electron transfer from the stilbenes to the biphenyl cation radical. Transient absorption spectra of the cis- and trans-stilbene cation radicals generated by secondary electron transfer are similar to those previously obtained in 77 K matrices. Quantum yields for radical ion-pair cage escape have been measured for direct electron transfer from the stilbenes to three neutral and one charged singlet acceptor. These values increase as the ion-pair energy increases due to decreased rate constants for radical ion-pair return electron transfer, in accord with the predictions of Marcus theory for highly exergonic electron transfer. Cage-escape efficiencies are larger for trans- vs cis-stilbene cation radicals, possibly due to the greater extent of charge delocalization in the planar trans vs nonpolar cis cation radicals. Cage-escape stilbene cation radicals can initiate a concentration-dependent one way cis- {yields} trans-stilbene isomerization reaction.

  18. Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Camilloni, Carlo; Sahakyan, Aleksander B.; Holliday, Michael; Isern, Nancy G.; Zhang, Fengli; Eisenmesser, Elan Z.; Vendruscolo, Michele

    2014-07-15

    Proline isomerization is a ubiquitous process that plays a key role in the folding of proteins and in the regulation of their functions1-3. Different families of enzymes, known as peptidyl-prolyl isomerases (PPIases), catalyse this reaction, which involves the interconversion between the cis and trans isomers of the Nterminal amide bond of the amino acid proline2,3. A complete description of the mechanisms by which these enzymes function, however, has remained elusive. Here, we show that cyclophilin A, one of the most common PPIases4, provides a catalytic environment that acts on the substrate through an electrostatic lever mechanism. In this mechanism, the electrostatic field in the catalytic site turns the electric dipole associated with the carboxylic group of the amino acid preceding the proline in the substrate, thus causing the rotation of the peptide bond between the two residues. This mechanism resulted from the analysis of an ensemble of conformations populated by cyclophilin A during the enzymatic reaction using a combination of NMR measurements, molecular dynamics simulations and density functional theory calculations. We anticipate that this approach will be helpful in elucidating whether the electrostatic lever mechanism that we describe is common to other PPIases, and more generally to characterise other enzymatic processes.

  19. Isomerization of Second-Generation Isoprene Peroxy Radicals

    DEFF Research Database (Denmark)

    D'Ambro, Emma L.; Møller, Kristian Holten; Lopez-Hilfiker, Felipe D.

    2017-01-01

    kinetics box model, we find that to explain the behavior of low-volatility products and SOA mass yields relative to input H2O2 concentrations, the second-generation dihydroxy hydroperoxy peroxy radical (C5H11O6·) must undergo an intramolecular H-shift with a net forward rate constant of order 0.1 s-1...... or higher. This finding is consistent with quantum chemical calculations that suggest a net forward rate constant of 0.3-0.9 s-1. Furthermore, these calculations suggest that the dominant product of this isomerization is a dihydroxy hydroperoxy epoxide (C5H10O5), which is expected to have a saturation vapor...... pressure ∼2 orders of magnitude higher, as determined by group-contribution calculations, than the dihydroxy dihydroperoxide, ISOP(OOH)2(C5H12O6), a major product of the peroxy radical reacting with HO2. These results provide strong constraints on the likely volatility distribution of isoprene oxidation...

  20. Complex Molecules and the GBT: Is Isomerism the Key?

    Science.gov (United States)

    Hollis, J. M.

    2005-08-01

    Interstellar aldehydes have been called the "sugars of space" ever since the discoveries of formaldehyde (H2CO) in 1969 and acetaldehyde (CH3CHO) in 1973. At present, more than 135 interstellar molecular species have been identified. Excluding diatomic species, 30% of all interstellar molecules have isomeric counterparts. The newest instrument in the interstellar molecule search arsenal is the Green Bank Telescope (GBT), which is credited with the discovery of the large aldehydes propenal (CH2CHCHO) and propanal (CH3CH2CHO). In addition, the GBT has been used to observe interstellar glycolaldehyde (CH2OHCHO), the simplest possible aldehyde sugar, and interstellar ethylene glycol (HOCH2CH2OH), the sugar alcohol of glycolaldehyde. These new GBT observations that suggest a universal prebiotic chemistry are presented and discussed. While there is no consensus regarding how large complex interstellar molecules are formed, it may be that the first step in the polymerization of interstellar formaldehyde (H2CO) with its isomer trans hydroxy methylene (t-HCOH) is responsible for the formation of interstellar glycolaldehyde. We discuss this polymerization mechanism that can result in the generation of more complex sugars. We assess the likelihood of interstellar trans hydroxy methylene and suggest a search strategy for it using the GBT.

  1. Intelligent Vehicle Charging Benefits Assessment Using EV Project Data

    Energy Technology Data Exchange (ETDEWEB)

    Letendre, Steven [Green Mountain College, Poultney, VT (United States); Gowri, Krishnan [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kintner-Meyer, Michael CW [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Pratt, Richard M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2013-12-01

    PEVs can represent a significant power resource for the grid. An IVCI with bi-direction V2G capabilities would allow PEVs to provide grid support services and thus generate a source of revenue for PEV owners. The fleet of EV Project vehicles represents a power resource between 30 MW and 90 MW, depending on the power rating of the grid connection (5-15 kW). Aggregation of vehicle capacity would allow PEVs to participate in wholesale reserve capacity markets. One of the key insights from EV Project data is the fact that vehicles are connected to an EVSE much longer than is necessary to deliver a full charge. During these hours when the vehicles are not charging, they can be participating in wholesale power markets providing the high-value services of regulation and spinning reserves. The annual gross revenue potential for providing these services using the fleet of EV Project vehicles is several hundred thousands of dollars to several million dollars annually depending on the power rating of the grid interface, the number of hours providing grid services, and the market being served. On a per vehicle basis, providing grid services can generate several thousands of dollars over the life of the vehicle.

  2. Kinetics of diglyceride formation and isomerization in virgin olive oils by employing 31P NMR spectroscopy. Formulation of a quantitative measure to assess olive oil storage history.

    Science.gov (United States)

    Spyros, Apostolos; Philippidis, Angelos; Dais, Photis

    2004-01-28

    Diacylglycerol isomers and free acidity were determined for five extra virgin olive oils of different initial acidities by employing a facile (31)P NMR methodology as a function of storage time and storage conditions. The kinetic treatment of the hydrolysis of triacylglycerols (TGs) and the isomerization of 1,2-diacylglycerols (1,2-DGs) to 1,3-diacylglycerols (1,3-DGs) during storage of 18 months at ambient temperature in the dark and light and at 5 degrees C in the dark showed that the isomerization is strongly dependent on the rate of the TGs hydrolysis, the initial free acidity (H(0)) of the virgin olive oil samples, and storage conditions. Although the time-evolution of the diacylglycerols (DGs) depends on the TGs hydrolysis, the ratio D of the concentration of 1,2-DGs to the total amount of DGs was found to be independent of this factor. From the kinetic expression of the ratio D, a quantitative measure was formulated that allows the estimation of the storage time or age of virgin olive oils. Application of this quantitative measure to several olive oil samples of known and unknown storage history resulted in a very good agreement with respect to the actual storage time for up to 10-12 months of storage. For a longer storage period, where the isomerization of DGs is close to its equilibrium state, the calculated age index is only indicative.

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

    Science.gov (United States)

    Skultety, Ludovit; Frycak, Petr; Qiu, Changling; Smuts, Jonathan; Shear-Laude, Lindsey; Lemr, Karel; Mao, James X; Kroll, Peter; Schug, Kevin A; Szewczak, Angelica; Vaught, Cory; Lurie, Ira; Havlicek, Vladimir

    2017-06-08

    Distinguishing isomeric representatives of "bath salts", "plant food", "spice", or "legal high" remains a challenge for analytical chemistry. In this work, we used vacuum ultraviolet spectroscopy combined with gas chromatography to address this issue on a set of forty-three designer drugs. All compounds, including many isomers, returned differentiable vacuum ultraviolet/ultraviolet spectra. The pair of 3- and 4-fluoromethcathinones (m/z 181.0903), as well as the methoxetamine/meperidine/ethylphenidate (m/z 247.1572) triad, provided very distinctive vacuum ultraviolet spectral features. On the contrary, spectra of 4-methylethcathinone, 4-ethylmethcathinone, 3,4-dimethylmethcathinone triad (m/z 191.1310) displayed much higher similarities. Their resolution was possible only if pure standards were probed. A similar situation occurred with the ethylone and butylone pair (m/z 221.1052). On the other hand, majority of forty-three drugs was successfully separated by gas chromatography. The detection limits for all the drug standards were in the 2-4 ng range (on-column amount), which is sufficient for determinations of seized drugs during forensics analysis. Further, state-of-the-art time-dependent density functional theory was evaluated for computation of theoretical absorption spectra in the 125-240 nm range as a complementary tool. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Highly selective Lewis acid sites in desilicated MFI zeolites for dihydroxyacetone isomerization to lactic acid.

    Science.gov (United States)

    Dapsens, Pierre Y; Mondelli, Cecilia; Pérez-Ramírez, Javier

    2013-05-01

    Desilication of commercial MFI-type (ZSM-5) zeolites in solutions of alkali metal hydroxides is demonstrated to generate highly selective heterogeneous catalysts for the aqueous-phase isomerization of biobased dihydroxyacetone (DHA) to lactic acid (LA). The best hierarchical ZSM-5 sample attains a LA selectivity exceeding 90 %, which is comparable to that of the state-of-the-art catalyst (i.e., the Sn-beta zeolite); this optimized hierarchical catalyst is recyclable over three runs. The Lewis acid sites, which are created through desilication along with the introduction of mesoporosity, are shown to play a crucial role in the formation of the desired product; these cannot be achieved by using other post-synthetic methods, such as steaming or impregnation of aluminum species. Desilication of other metallosilicates, such as Ga-MFI, also leads to high LA selectivity. In the presence of a soluble aluminum source, such as aluminum nitrate, alkaline-assisted alumination can introduce these unique Lewis acid centers in all-silica MFI zeolites. These findings highlight the potential of zeolites in the field of biomass-to-chemical conversion, and expand the applicability of desilication for the generation of selective catalytic centers. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Early outcome of children with complex atrial isomerism undergoing uni-ventricular cardiac palliation.

    Science.gov (United States)

    Santhanam, Giridhar V; Najm, Hani K; Duplessis, Johannes P; Abu-Sulaiman, Riyadh M; Kabbani, Mohamed S

    2007-12-01

    To review the postoperative intensive care unit (ICU) course and early outcome of children with complex atrial isomeric hearts undergoing cardiac surgery for uni-ventricular heart repair. A retrospective review and analysis of ICU course of pediatric patients with atrial isomerism admitted from January 2000 to December 2004 in King Abdul-Aziz Medical City, Riyadh, Kingdom of Saudi Arabia, who underwent uni-ventricular repair. During the study period, 18 (n=18) patients were identified to have complex congenital heart disease (CHD) associated with atrial isomerism. They were in the form of right atrial isomerism (n=12), and left atrial isomerism (n=6). Eight patients did not meet the inclusion criteria of the study and were excluded. Ten of the 18 patients fulfilled the study criteria and underwent first stage uni-ventricular heart repair with 8 survivals (80%). Three of the 8 operated survival cases underwent second stage repair with 2 survivals (66%) and one patient completed Fontan surgery with a good outcome. An uneventful ICU course was noted in 3 of 10 operated patients (30%). Complications were noted in (40%) of cases including sepsis (n=4), tracheostomy (n=1), prolonged mechanical ventilation >7days (n=2). Over 50% of the operated patients required prolonged ICU stay (>2 weeks). Atrial isomerism is frequently associated with complex cardiac defects that often present in the neonatal stage and requires multiple staged cardiac surgeries. The surgical repair and peri-operative management of this group of patients can be difficult, challenging, and with potential risk of significant morbidity or mortality. In our setting, we found the outcome of children with atrial isomerism undergoing uni-ventricular palliation comparable to the literature.

  6. Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization.

    Science.gov (United States)

    Engel, Julien; Smit, Wietse; Foscato, Marco; Occhipinti, Giovanni; Törnroos, Karl W; Jensen, Vidar R

    2017-11-08

    Ruthenium-based olefin metathesis catalysts are used in laboratory-scale organic synthesis across chemistry, largely thanks to their ease of handling and functional group tolerance. In spite of this robustness, these catalysts readily decompose, via little-understood pathways, to species that promote double-bond migration (isomerization) in both the 1-alkene reagents and the internal-alkene products. We have studied, using density functional theory (DFT), the reactivity of the Hoveyda-Grubbs second-generation catalyst 2 with allylbenzene, and discovered a facile new decomposition pathway. In this pathway, the alkylidene ligand is lost, via ring expansion of the metallacyclobutane intermediate, leading to the spin-triplet 12-electron complex (SIMes)RuCl2 ((3)R21, SIMes = 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene). DFT calculations predict (3)R21 to be a very active alkene isomerization initiator, either operating as a catalyst itself, via a η(3)-allyl mechanism, or, after spin inversion to give R21 and formation of a cyclometalated Ru-hydride complex, via a hydride mechanism. The calculations also suggest that the alkylidene-free ruthenium complexes may regenerate alkylidene via dinuclear ruthenium activation of alkene. The predicted capacity to initiate isomerization is confirmed in catalytic tests using p-cymene-stabilized R21 (5), which promotes isomerization in particular under conditions favoring dissociation of p-cymene and disfavoring formation of aggregates of 5. The same qualitative trends in the relative metathesis and isomerization selectivities are observed in identical tests of 2, indicating that 5 and 2 share the same catalytic cycles for both metathesis and isomerization, consistent with the calculated reaction network covering metathesis, alkylidene loss, isomerization, and alkylidene regeneration.

  7. 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.

    2010-01-01

    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 containing a catalytic amount of Sn-Beta (1∶50 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]. PMID:20308577

  8. 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].

  9. 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.

  10. 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.

  11. Potential Analysis of Regulating Power from Electric Vehicle (EV) Integration in Denmark

    DEFF Research Database (Denmark)

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

    2011-01-01

    The potential analysis of having electric vehicles (EVs) provide regulating power has been implemented. The possible regulating power capacity from EVs and the economic return for EV users by providing regulating power are obtained. A spot price based charging schedule scenario has been used to do...... the day-ahead charging schedule for all EVs based on the predicted driving pattern. On top of the obtained charging schedule, the predicted EV availability and the charging schedule are used to calculate the possible regulating power capacity from EVs for both up regulating power and down regulating power...

  12. Roberta - EV3-Geschöpfe aus einem Baukasten

    OpenAIRE

    Rhodes, Fay

    2014-01-01

    Die "Roberta Reihe" dokumentiert das Roberta-Konzept. Beides wurde vom Fraunhofer IAIS zusammen mit PartnerInnen entwickelt und vom Bundesministerium für Bildung und Forschung gefördert. Die Reihe präsentiert Lehr- und Lernmaterialien für Roboterkurse, die für Mädchen interessant sind und von geschulten Roberta-Kursleitungen durchgeführt werden. Unterstützung finden die Kursleitungen im internationalen Netzwerk der RobertaRegioZentren. Das Buch EV3-Geschöpfe aus einem Baukasten ergänzt mit se...

  13. "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

  14. PROGRAMSKA OPREMA ZA PODPORO INDUSTRIALIZACIJI NOVIH AVTOPLAŠČEV

    OpenAIRE

    Ogrin, Tomaž

    2016-01-01

    Čas od razvoja do uvedbe avtoplaščev v proizvodnjo je vedno krajši, zato je pomembno, da je industrializacija plašča podprta z integriranim informacijskim sistemom. SAP predstavlja glavni informacijski sistem, ki je dopolnjen z različnimi informacijskimi sistemi v obliki excel, oracle, citrix podatkovnimi bazami. Slabost podsistemov je v njihovi razdrobljenosti, zato je smiselno razviti integrirani informacijski sistem t.i. tehnološki informacijski sistem (TIS), ki bi skrajšal podporni čas, s...

  15. 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)

  16. Molecular identification of 13 new enterovirus types, EV79-88, EV97, and EV100-101, members of the species Human Enterovirus B.

    Science.gov (United States)

    Oberste, M Steven; Maher, Kaija; Nix, William A; Michele, Suzanne M; Uddin, Moyez; Schnurr, David; al-Busaidy, Suleiman; Akoua-Koffi, Chantal; Pallansch, Mark A

    2007-09-01

    Molecular methods have enabled the rapid identification of new enterovirus (EV) serotypes that are untypeable using existing neutralizing antisera. As a result, sequencing of the VP1 capsid gene has been developed as a surrogate for antigenic typing to distinguish enterovirus types. In this study, 17 enterovirus isolates from four countries were identified as members of 13 new types within the species Human Enterovirus B (HEV-B) by complete genome sequencing. Members of each of these new types are at least 75% identical to one another (91% amino acid identity) in VP1, but members of different types differ from one another and from other enteroviruses by at least 27% in nucleotide sequence (26% amino acid sequence difference). The complete P1 (capsid) sequences of the new types are at least 17% different from those of all other enterovirus serotypes (14.5% amino acid sequence difference), but they are highly conserved within a type (93% amino acid identity), confirming that the 17 new strains belong to HEV-B. We propose that these 17 isolates be classified as members of 13 new human enterovirus types, enteroviruses 79-88, 97, and 100-101.

  17. Spatial analysis of travel demand and accessibility in Vermont : where will EVs work?

    Science.gov (United States)

    2012-04-01

    The suitability and charging requirements of electric vehicles (EVs) may differ in rural areas, where the electrical grid may be less robust and daily VMT higher. Although other studies have examined issues of regional power requirements of EVs, none...

  18. 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.

  19. 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.

  20. Isomerization and optical bistability of DR1 doped organic-inorganic sol-gel thin film

    Science.gov (United States)

    Gao, Tianxi; Que, Wenxiu; Shao, Jinyou

    2015-10-01

    To investigate the isomerization process of the disperse red 1 (DR1) doped TiO2/ormosil thin film, both the photo-isomerization and the thermal isomerization of the thin films were observed as a change of the absorption spectrum. Under a real-time heat treatment, the change of the linear refractive index shows a thermal stable working temperature range below Tg. The optical bistability (OB) effect of the DR1 doped thin films based on different matrices was studied and measured at a wavelength of 532 nm. Results indicate that the TiO2/ormosils based thin film presents a better OB-gain than that of the poly (methyl methacrylate) (PMMA) based thin film due to its more rigid network structure. Moreover, it is also noted that higher titanium content is helpful for enhancing the OB-gain of the as-prepared hybrid thin films.

  1. Solvent effects on the thermal isomerization of a rotary molecular motor.

    Science.gov (United States)

    Lubbe, Anouk S; Kistemaker, Jos C M; Smits, Esther J; Feringa, Ben L

    2016-09-29

    As molecular machines move to exciting applications in various environments, the study of medium effects becomes increasingly relevant. It is difficult to predict how, for example, the large apolar structure of a light-driven rotary molecular motor is affected by a biological setting or surface proximity, while for future nanotechnology precise fine tuning and full understanding of the isomerization process are of the utmost importance. Previous investigations into solvent effects have mainly focused on the relatively large solvent-solute interaction of hydrogen bonding or polarization induced by the isomerization process. We present a detailed study of a key step in the rotary process i.e. the thermal helix inversion of a completely apolar rotary molecular motor in 50 different solvents and solvent mixtures. Due to the relative inertness of this probe, we are able to study the influence of subtle solvent-solvent interactions upon the rate of rotation. Statistical analysis reveals which solvent parameters govern the isomerization process.

  2. Suppression of experimental autoimmune encephalomyelitis by ultraviolet light is not mediated by isomerization of urocanic acid.

    Science.gov (United States)

    Irving, Amy A; Marling, Steven J; Plum, Lori A; DeLuca, Hector F

    2017-01-05

    Ultraviolet B irradiation confers strong resistance against experimental autoimmune encephalomyelitis, a model of multiple sclerosis. This protection by ultraviolet B is independent of vitamin D production but causes isomerization of urocanic acid, a naturally occurring immunosuppressant. To determine whether UCA isomerization from trans to cis is responsible for the protection against experimental autoimmune encephalomyelitis afforded by ultraviolet B, trans- or cis-urocanic acid was administered to animals and their disease progression was monitored. Disease incidence was reduced by 74% in animals exposed to ultraviolet B, and skin cis-urocanic acid levels increased greater than 30%. However, increasing skin cis-urocanic acid levels independent of ultraviolet B was unable to alter disease onset or progression. It is unlikely that urocanic acid isomerization is responsible for the ultraviolet B-mediated suppression of experimental autoimmune encephalomyelitis. Additional work is needed to investigate alternative mechanisms by which UVB suppresses disease.

  3. Isolation and antimicrobial evaluation of isomeric hydroxy ketones in leaf cuticular waxes of Annona squamosa.

    Science.gov (United States)

    Shanker, K Shiva; Kanjilal, S; Rao, B V S K; Kishore, K Hara; Misra, S; Prasad, R B N

    2007-01-01

    A novel natural compound, 11-hydroxy-16-hentriacontanone, has been isolated from the leaf cuticular wax of Annona squamosa along with its known isomer 10-hydroxy-16-hentriacontanone in a ratio of 67:33. This isomeric mixture of hydroxy ketones constituted together 16.5% of the total cuticular waxes. The new compound was characterised using spectral and chromatographic techniques. The major component was found to be 16-hentriacontanone (palmitone), which constituted up to 48% of the total cuticular wax, together with a homologous series of hydrocarbons, fatty aldehydes, fatty alcohols, fatty acids and sterols as minor components. The antimicrobial activity of the isomeric hydroxy ketones was tested against selected Gram-positive and Gram-negative bacterial strains, and also some selected fungal strains, and compared with palmitone. The antibacterial activity of palmitone was significantly higher than that of the isomeric hydroxy ketones, but their antifungal activities were comparable.

  4. Efficient isomerization of glucose to fructose over zeolites in consecutive reactions in alcohol and aqueous media.

    Science.gov (United States)

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

    2013-04-10

    Isomerization reactions of glucose were catalyzed by different types of commercial zeolites in methanol and water in two reaction steps. The most active catalyst was zeolite Y, which was found to be more active than the zeolites beta, ZSM-5, and mordenite. The novel reaction pathway involves 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 chemicals like alkyl levulinates is viable at higher temperatures.

  5. “W-X-M” transformations in isomerization of B{sub 39}{sup −} borospherenes

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Ting-Ting; Chen, Qiang; Mu, Yue-Wen; Lu, Haigang, E-mail: luhg@sxu.edu.cn, E-mail: lisidian@sxu.edu.cn; Li, Si-Dian, E-mail: luhg@sxu.edu.cn, E-mail: lisidian@sxu.edu.cn [Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, Taiyuan 030006 (China)

    2016-06-15

    The Stone-Wales transformation plays an important role in the isomerization of fullerenes and graphenic systems. The continuous conversions between neighboring six- and seven-membered rings in the borospherene (all-boron fullerene) B{sub 40} had been discovered (Martínez-Guajardo et al. Sci. Rep. 5, 11287 (2015)). In the first axially chiral borospherenes C{sub 3} B{sub 39}{sup −} and C{sub 2} B{sub 39}{sup −}, we identify three active boron atoms which are located at the center of three alternative sites involving five boron atoms denoted as “W”, “X”, and “M”, respectively. The concerted movements of these active boron atoms and their close neighbors between neighboring six- and seven-membered rings define the “W-X-M” transformation of borospherenes. Extensive first-principles molecular dynamics simulations and quadratic synchronous transit transition-state searches indicate that, via three transition states (TS1, TS2, and TS3) and two intermediate species (M1 and M2), the three-step “W-X-M” transformations convert the C{sub 3} B{sub 39}{sup −} global minimum into its C{sub 2} isomer at room temperature (300 K) and vice versa. The maximum barriers are only 3.89 kcal/mol from C{sub 3} to C{sub 2} B{sub 39}{sup −} and 2.1 kcal/mol from C{sub 2} to C{sub 3} B{sub 39}{sup −}, rendering dynamic fluxionalities to these borospherenes. Therefore, the “W-X-M” transformation plays an important role in the borospherenes and borospherene-based nanostructures.

  6. “W-X-M” transformations in isomerization of B39− borospherenes

    Directory of Open Access Journals (Sweden)

    Ting-Ting Gao

    2016-06-01

    Full Text Available The Stone-Wales transformation plays an important role in the isomerization of fullerenes and graphenic systems. The continuous conversions between neighboring six- and seven-membered rings in the borospherene (all-boron fullerene B40 had been discovered (Martínez-Guajardo et al. Sci. Rep. 5, 11287 (2015. In the first axially chiral borospherenes C3 B39− and C2 B39−, we identify three active boron atoms which are located at the center of three alternative sites involving five boron atoms denoted as “W”, “X”, and “M”, respectively. The concerted movements of these active boron atoms and their close neighbors between neighboring six- and seven-membered rings define the “W-X-M” transformation of borospherenes. Extensive first-principles molecular dynamics simulations and quadratic synchronous transit transition-state searches indicate that, via three transition states (TS1, TS2, and TS3 and two intermediate species (M1 and M2, the three-step “W-X-M” transformations convert the C3 B39− global minimum into its C2 isomer at room temperature (300 K and vice versa. The maximum barriers are only 3.89 kcal/mol from C3 to C2 B39− and 2.1 kcal/mol from C2 to C3 B39−, rendering dynamic fluxionalities to these borospherenes. Therefore, the “W-X-M” transformation plays an important role in the borospherenes and borospherene-based nanostructures.

  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. 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

    approach is applied to reschedule the generating units considering the EVs owners’ behaviors. An EV power controller (EVPC) is also designed to determine charge and discharge process of EVs based on the forecasted day-ahead load and renewable generation profiles. The performance of the proposed strategy...

  9. 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...

  10. S/EV 1992: Solar and Electric Vehicles. Volume 1: Proceedings

    Science.gov (United States)

    These proceedings include the morning plenary sessions and then sessions on each of the following topics: Electric Vehicle (EV) fundamentals, advanced EV's, photovoltaics, policy, and fleets. Many individual topics are considered to include: EV races, environmental benefits, demonstration programs, lightweight composite materials, advanced components, and electric batteries.

  11. EV-TRACK : transparent reporting and centralizing knowledge in extracellular vesicle research

    NARCIS (Netherlands)

    Van Deun, Jan; Mestdagh, Pieter; Agostinis, Patrizia; Akay, Özden; Anand, Sushma; Anckaert, Jasper; Martinez, Zoraida Andreu; Baetens, Tine; Beghein, Els; Bertier, Laurence; Berx, Geert; Boere, Janneke|info:eu-repo/dai/nl/371593050; Boukouris, Stephanie; Bremer, Michel; Buschmann, Dominik; Byrd, James B; Casert, Clara; Cheng, Lesley; Cmoch, Anna; Daveloose, Delphine; De Smedt, Eva; Demirsoy, Seyma; Depoorter, Victoria; Dhondt, Bert; Driedonks, Tom A P; Dudek, Aleksandra; Elsharawy, Abdou; Floris, Ilaria; Foers, Andrew D; Gärtner, Kathrin; Garg, Abhishek D; Geeurickx, Edward; Gettemans, Jan; Ghazavi, Farzaneh; Giebel, Bernd; Kormelink, Tom Groot|info:eu-repo/dai/nl/31413137X; Hancock, Grace; Helsmoortel, Hetty; Hill, Andrew F; Hyenne, Vincent; Kalra, Hina; Kim, David; Kowal, Joanna; Kraemer, Sandra; Leidinger, Petra; Leonelli, Carina; Liang, Yaxuan; Lippens, Lien; Liu, Shu; Lo Cicero, Alessandra; Martin, Shaun; Mathivanan, Suresh; Mathiyalagan, Prabhu; Matusek, Támas; Milani, Gloria; Monguió-Tortajada, Marta; Mus, Liselot M; Muth, Dillon C; Németh, Andrea; Nolte-'t Hoen, Esther N M; O'Driscoll, Lorraine; Palmulli, Roberta; Pfaffl, Michael W; Primdal-Bengtson, Bjarke; Romano, Erminia; Rousseau, Quentin; Sahoo, Susmita; Sampaio, Natalia; Samuel, Monisha; Scicluna, Benjamin; Soen, Bieke; Steels, Anneleen; Swinnen, Johannes V; Takatalo, Maarit; Thaminy, Safia; Théry, Clotilde; Tulkens, Joeri; Van Audenhove, Isabel; van der Grein, Susanne|info:eu-repo/dai/nl/412755211; Van Goethem, Alan; van Herwijnen, Martijn J|info:eu-repo/dai/nl/313936021; Van Niel, Guillaume; Van Roy, Nadine; Van Vliet, Alexander R; Vandamme, Niels; Vanhauwaert, Suzanne; Vergauwen, Glenn; Verweij, Frederik; Wallaert, Annelynn; Wauben, Marca|info:eu-repo/dai/nl/112675735; Witwer, Kenneth W; Zonneveld, Marijke I|info:eu-repo/dai/nl/338042202; De Wever, Olivier; Vandesompele, Jo; Hendrix, An

    2017-01-01

    We argue that the field of extracellular vesicle (EV) biology needs more transparent reporting to facilitate interpretation and replication of experiments. To achieve this, we describe EV-TRACK, a crowdsourcing knowledgebase (http://evtrack.org) that centralizes EV biology and methodology with the

  12. Sequence variations of NKX2-5 and HAND1 genes in patients with atrial isomerism.

    Science.gov (United States)

    Hatemi, Ali Can; Güleç, Cağrı; Cine, Naci; Vural, Burçak; Hatırnaz, Ozden; Sayitoğlu, Müge; Oztunç, Funda; Saltık, Levent; Kansız, Erhan; Erginel Ünaltuna, Nihan

    2011-06-01

    Atrial isomerism is a congenital disorder, which is characterized by lateralization defects in normally asymmetrical developing organs like the heart. Atrial isomerism is supposed to be caused by molecular defects during early development. The NKX2-5 is a cardiac specific transcription factor, which initiates and regulates downstream transcriptional cascades of cardiogenesis. The HAND1 is another transcription factor expressed in the heart, and it is characterized by an asymmetrical pattern of expression. In this study, we aimed to test whether mutations in NKX2-5 and HAND1 genes play a role in the etiology of atrial isomerism. This case-control study consisted of 70 patients who underwent surgical treatment for congenital heart defects including atrial isomerism, 80 healthy subjects (HAND1 gene) and 40 healthy subjects (NKX2-5 gene). All exons and exon-intron boundaries of NKX2-5 and HAND1 genes were analyzed by SSCP, and suspected samples were sequenced for mutation analysis. Digestion with appropriate restriction enzymes was performed for analysis of known mutations and polymorphisms. The frequencies of the alleles and the genotypes were compared among patient and control groups using the Chi-square and the Fisher tests when appropriate. In intronic region of HAND1 gene, we identified a C>G substitution both in patients and controls. Frequency of mutant allele (11, 42%) was found higher (p=0.046) in patient group than that of the control group (2.5%). Association between atrial isomerism and genotypes with mutant allele was found borderline significant (p=0.054). In NKX2-5 gene, we identified heterozygous Q170X (Gln170ter) mutation in one patient. We did not found any correlation between defined sequence variations and clinical properties of the patients. Our results suggest that mutations or sequence variations in HAND1 or NKX2-5 genes may play role in etiology or pathogenesis of atrial isomerism.

  13. Quantum-state-selected integral cross sections for the charge transfer collision of O2+(a4Πu5/2,3/2,1/2,-1/2: v+ = 1-2; J+) [O2+(X2Πg3/2,1/2: v+ = 22-23; J+)] + Ar at center-of-mass collision energies of 0.05-10.00 eV.

    Science.gov (United States)

    Xiong, Bo; Chang, Yih-Chung; Ng, Cheuk-Yiu

    2017-11-08

    By employing the sequential electric field pulsing scheme for vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) detection, we have successfully recorded the spin-orbit and rovibronic state resolved VUV-PFI-PI spectra for O2+(a4Πu5/2,3/2,1/2,-1/2: ν+ = 0-2; J+) and O2+(X2Πg3/2,1/2: ν+ = 21-23; J+), indicating that O2+(a4Πu) and O2+(X2Πg) ions in these spin-orbit and rovibronic states can be prepared for ion-molecule collision studies. The present experiment is concerned with the measurement of absolute integral cross sections (σ's) of the charge transfer reactions, O2+(a4Πu5/2,3/2,1/2,-1/2: ν+ = 1, 2; J+) [O2+(X2Πg1/2,3/2: ν+ = 22, 23)] + Ar → Ar+ + O2. The fact that the O2+(a4Πu5/2,3/2,1/2,-1/2: ν+ = 1) and O2+(X2Πg3/2,1/2: ν+ = 22) [O2+(a4Πu5/2,3/2,1/2,-1/2: ν+ = 2) and O2+(X2Πg3/2,1/2: ν+ = 23)] states are in close energy resonance, makes these reactions ideal model systems for investigating the energy resonance and Franck-Condon factor (FCF) effects on the charge transfer reactivity of O2+. The σ(a4Πu5/2,3/2,1/2,-1/2: ν+ = 1, 2) values are found to be about ten-fold higher than the σ(X2Πg3/2,1/2: ν+ = 22, 23) values at Ecm = 0.05-10.00 eV, indicating that the FCFs play a predominant role in promoting these charge transfer reactions. The present ion-molecule reaction study also shows that σ(a4Πu) depends strongly on the spin-orbit as well as the vibrational states with the order: σ(a4Πu: v+ = 2) > σ(a4Πu: v+ = 1), and σ(a4Πu5/2: v+) > σ(a4Πu3/2: v+) > σ(a4Πu1/2: v+) > σ(a4Πu-1/2: v+), where v+ = 1 and 2. The high σ(a4Πu5/2,3/2,1/2,-1/2: v+ = 1, 2) values, along with their decreasing trend with increasing Ecm, are consistent with those expected for a long range charge transfer mechanism. However, the low σ(X2Πg3/2,1/2: ν+ = 22, 23) values and the lack of Ecm-dependence observed in the Ecm range of 0.05-10.00 eV point to the involvement of short-range collision dynamics.

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

    Science.gov (United States)

    Denis-Petit, D.; Roig, O.; Méot, V.; Morillon, B.; Romain, P.; Jandel, M.; Kawano, T.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.

    2017-09-01

    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.

  15. 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.

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

    CERN Document Server

    Eronen, T; Hager, U; Hakala, J; Jokinen, A; Kankainen, A; Rahaman, S; Rissanen, J; Weber, C; Äystö, J

    2008-01-01

    A new procedure to prepare isomerically clean samples of ions with a mass resolving power of more than 100,000 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.

  17. Anatomic biventricular repair in right isomerism with noncommitted ventricular septal defect.

    Science.gov (United States)

    Katewa, Ashish; Marwah, Ashutosh; Singh, Vishal; Ramaswamy, Arun; Sharma, Rajesh

    2012-07-01

    Biventricular repair in right atrial isomerism is rarely feasible due to associated anomalies of venous connection, ventricular imbalance, nonroutabilty of the interventricular communication, a common atrioventricular junction, and inadequate pulmonary arterial branches. These patients are also often not ideal for univentricular repair due to some of the above associations. We describe a novel surgical technique that was utilized in such a patient for biventricular repair of a child with right atrial isomerism with total anomalous pulmonary venous connection, regurgitant common atrioventricular valve, hypoplastic left ventricle, nonroutable ventricular septal defect, and pulmonary stenosis.

  18. Modeling Fluid and Heat Transport in a New Type Thermal Isomerization Fluidized Bed Reactor

    Science.gov (United States)

    Yang, Xiaoxiao; Fu, Zewu; Zhao, Yuying; Liu, Liujun; Li, Rui

    2017-10-01

    In the current work, with a new concept of resident ratio which impacts the reaction time, a fluid flow and heat transfer model were employed for simulating pressure drop, temperature profile and fluid flow properties of new type thermal isomerization reactor. The thermal isomerization experiment of β-pinenewas performed using the reactor. Momentum equation, energy equation and kinetic equationswere used to describe the fluid flow and heat transfer. The experimental results were in good agreement with theoretical simulation which indicated that the temperature difference between boundary and initial can be decreased by using steel balls and this modified fluidized bed can improve the yield and selectivity of the products effectively.

  19. 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.)

  20. A search for thermal isomerization of olefins to carbenes: Thermal generations of the silicon-nitrogen double bond

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xianping.

    1990-09-21

    The first part of this thesis will search for the thermal isomerization of olefins to carbenes which is predicted to be a high energy process by calculations and has only been observed in a few strained olefins. The possibility of thermal isomerization of simple olefins to carbenes will be explored. Substitution of a silyl group on the double bond of an olefin allows a potential intermediate which has a {beta}-radical to the silyl group during the cis-trans isomerization. The effects of a trimethylsilyl group on this isomerization are the subject of this study. The second part of this thesis will include the generation and chemistry of intermediates containing a silicon-nitrogen double bond. The isomerization of parent silanimine to the aminosilylene was calculated to be a high energy process. New approaches to the silicon-nitrogen double bond will also be presented. 92 refs., 12 figs., 11 tabs.

  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. Analyzing public awareness and acceptance of alternative fuel vehicles in China: The case of EV

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Yong, E-mail: zhang7678@126.com [School of Transportation, Southeast University, Jiangsu, Nanjing 210096 (China); Yu Yifeng, E-mail: yyu66@gatech.edu [School of Industrial and Systems Engineering, Georgia Institute of Technology, 755 Ferst Drive, Atlanta, GA (United States); Zou Bai, E-mail: 74527593@qq.com [School of Transportation, Southeast University, Jiangsu, Nanjing 210096 (China)

    2011-11-15

    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.

  3. 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

  4. The phytohormone precursor OPDA is isomerized in the insect gut by a single, specific glutathione transferase.

    Science.gov (United States)

    Dabrowska, Paulina; Freitak, Dalial; Vogel, Heiko; Heckel, David G; Boland, Wilhelm

    2009-09-22

    Oxylipins play important roles in stress signaling in plants. The compound 12-oxophytodienoic acid (cis-OPDA) is an early biosynthetic precursor of jasmonic acid (JA), the key phytohormone orchestrating the plant anti-herbivore defense. When consumed by feeding Lepidopteran larvae, plant-derived cis-OPDA suffers rapid isomerization to iso-OPDA in the midgut and is excreted in the frass. Unlike OPDA epimerization (yielding trans-OPDA), the formation of iso-OPDA is enzyme-dependent, and is catalyzed by an inducible glutathione transferase (GSTs) from the larval gut. Purified GST fractions from the gut of Egyptian cotton leafworm (Spodoptera littoralis) and cotton bollworm (Helicoverpa armigera) both exhibited strong OPDA isomerization activity, most likely via transient formation of a glutathione-OPDA conjugate. Out of 16 cytosolic GST proteins cloned from the gut of cotton bollworm larvae and expressed in E. coli, only one catalyzed the OPDA isomerization. The biological function of the double bond shift might be seen in an inactivation of cis-OPDA, similar to the inactivation of prostaglandin A1 to prostaglandin B1 in mammalian tissue. The enzymatic isomerization is particularly widespread among generalist herbivores that have to cope with various amounts of cis-OPDA in their spectrum of host plants.

  5. 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...

  6. 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.

  7. 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 S.; 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.

  8. Bio-olefins via tandem isomerization-decarboxylation catalysis upon fatty acids

    Science.gov (United States)

    A facile Ru-catalyzed route to bio-alkenes from alkenoic fatty acids will be discussed. A readily accessible pre-catalyst [Ru(CO)2RCO2]n. apparently functions in a tandem mode by dynamically isomerizing the positions of double bonds in an aliphatic chain and, subsequently, decarboxylating specific i...

  9. 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…

  10. 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

    -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...... chemicals like alkyl levulinates is viable at higher temperatures....

  11. 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.

  12. A multichannel Raman spectrometry study of polyacetylene isomerization induced by laser irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Skanderi, Z. [Laboratoire d' Etude des Materiaux Organiques LEMO, Faculte des Sciences, Universite de Batna, Batna 05000 (Algeria)], E-mail: zin_skandri@yahoo.fr; Djebaili, A.; Benabid, H. [Laboratoire d' Etude des Materiaux Organiques LEMO, Faculte des Sciences, Universite de Batna, Batna 05000 (Algeria); Abadie, M.J.M. [Laboratoire d' Etude des Materiaux Polymeres, Universite des Sciences et Techniques du Languedoc, 34060 Montpellier (France)

    2007-12-15

    The multichannel Raman spectrometry has been used in the study of the isomerization reaction of an 80% cis PA film into a trans PA, using a laser beam for a double purpose. It is employed simultaneously as an activation agent inducing the isomerization reaction and the Raman diffusion. In each experience, the power of the laser beam P{sup i}({lambda}) was equivalent to the temperature. Twelve spectra have been recorded at different time periods tj j.dt. The integrations of the Raman intensities related to two selected bands were numerically calculated. We also proposed an original method for the determination of the isomeric composition. A quantitative relationship between the equilibrium temperature and the laser beam power (in the range of laser power: 30 < P{sup i}({lambda}) < 300 mW) has been found. An estimate number of isomerized molecules N{sub 0} and then a correction factors f{sub cis} and f{sub trans} were also obtained.

  13. Xylose isomerization with zeolites in a two-step alcohol-water process.

    Science.gov (United States)

    Paniagua, Marta; Saravanamurugan, Shunmugavel; Melian-Rodriguez, Mayra; Melero, Juan A; Riisager, Anders

    2015-03-01

    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 xyluloside (step 1) followed by hydrolysis after water addition to form additional xylulose (step 2). NMR spectroscopy studies performed with (13) C-labeled xylose confirmed the proposed reaction pathway. The most active catalyst examined was zeolite Y, which proved more active than zeolite beta, ZSM-5, and mordenite. The yield of xylulose obtained over H-USY (Si/Al=6) after 1 h of reaction at 100 °C was 39%. After water hydrolysis in the second reaction step, the yield increased to 47%. Results obtained from pyridine adsorption studies confirm that H-USY (6) is a catalyst that combines Brønsted and Lewis acid sites, and isomerizes xylose in alcohol media to form xylulose at low temperature. The applied zeolites are commercially available; do not contain any auxiliary tetravalent metals, for example, tin, titanium, or zirconium; isomerize xylose efficiently; are easy to regenerate; and are prone to recycling. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Competitive Adsorption of Substrate and Solvent in Sn-Beta Zeolite During Sugar Isomerization.

    Science.gov (United States)

    van der Graaff, William N P; Tempelman, Christiaan H L; Li, Guanna; Mezari, Brahim; Kosinov, Nikolay; Pidko, Evgeny A; Hensen, Emiel J M

    2016-11-23

    The isomerization of 1,3-dihydroxyactone and d-glucose over Sn-Beta zeolite was investigated by in situ 13 C NMR spectroscopy. The conversion rate at room temperature is higher when the zeolite is dehydrated before exposure to the aqueous sugar solution. Mass transfer limitations in the zeolite micropores were excluded by comparing Sn-Beta samples with different crystal sizes. Periodic density functional theory (DFT) calculations show that sugar and water molecules compete for adsorption on the active framework Sn centers. Careful solvent selection may thus increase the rate of sugar isomerization. Consistent with this prediction, batch catalytic experiments show that the use of a co-solvent, such as tetrahydrofuran, that strongly interacts with the Sn centers suppresses glucose isomerization. On the other hand, the use of ethanol as cosolvent results in significantly higher isomerization activity in comparison with pure water because of decreased competition with glucose adsorption on zeolitic Sn sites. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Molecular Driving Forces for Z/E Isomerization Mediated by Heteroatoms : The Example Hemithioindigo

    NARCIS (Netherlands)

    Nenov, Artur; Cordes, Thorben; Herzog, Teja T.; Zinth, Wolfgang; Vivie-Riedle, Regina de

    2010-01-01

    A combined experimental and theoretical investigation of photoinduced Z/E isomerizations is presented. Unsubstituted Hemithioindigo is selected as a representative minimal model to unravel the reaction mechanism in the presence of heteroatoms on an atomic level. Time-resolved spectroscopy reveals

  16. Synthesis of tetrahydro-β-carbolines via isomerization of N-allyltryptamines

    DEFF Research Database (Denmark)

    Ascic, Erhad; Hansen, Casper L.; Le Quement, Sebastian T.

    2012-01-01

    An efficient and broadly applicable alternative to the classical Pictet–Spengler synthesis of tetrahydro-β-carbolines is presented. The method relies on metal-catalyzed isomerization of allylic amines to form reactive iminium intermediates which can be trapped by a tethered indole nucleophile....

  17. Quantum chemical investigation of thermal cis-to-trans isomerization of azobenzene derivatives: substituent effects, solvent effects, and comparison to experimental data.

    Science.gov (United States)

    Dokić, Jadranka; Gothe, Marcel; Wirth, Jonas; Peters, Maike V; Schwarz, Jutta; Hecht, Stefan; Saalfrank, Peter

    2009-06-18

    Quantum chemical calculations of various azobenzene (AB) derivatives have been carried out with the goal to describe the energetics and kinetics of their thermal cis --> trans isomerization. The effects of substituents, in particular their type, number, and positioning, on activation energies have been systematically studied with the ultimate goal to tailor the switching process. Trends observed for mono- and disubstituted species are discussed. A polarizable continuum model is used to study, in an approximate fashion, the cis --> trans isomerization of azobenzenes in solution. The nature of the transition state(s) and its dependence on substituents and the environment is discussed. In particular for push-pull azobenzenes, the reaction mechanism is found to change from inversion in nonpolar solvents to rotation in polar solvents. Concerning kinetics, calculations based on the Eyring transition state theory give usually reliable activation energies and enthalpies when compared to experimentally determined values. Also, trends in the resulting rate constants are correct. Other computed properties such as activation entropies and thus preexponential rate factors are in only moderate agreement with experiment.

  18. Ibuprofen Impairs Allosterically Peroxynitrite Isomerization by Ferric Human Serum Heme-Albumin*

    Science.gov (United States)

    Ascenzi, Paolo; di Masi, Alessandra; Coletta, Massimo; Ciaccio, Chiara; Fanali, Gabriella; Nicoletti, Francesco P.; Smulevich, Giulietta; Fasano, Mauro

    2009-01-01

    Human serum albumin (HSA) participates in heme scavenging; in turn, heme endows HSA with myoglobin-like reactivity and spectroscopic properties. Here, the allosteric effect of ibuprofen on peroxynitrite isomerization to NO3− catalyzed by ferric human serum heme-albumin (HSA-heme-Fe(III)) is reported. Data were obtained at 22.0 °C. HSA-heme-Fe(III) catalyzes peroxynitrite isomerization in the absence and presence of CO2; the values of the second order catalytic rate constant (kon) are 4.1 × 105 and 4.5 × 105 m−1 s−1, respectively. Moreover, HSA-heme-Fe(III) prevents peroxynitrite-mediated nitration of free added l-tyrosine. The pH dependence of kon (pKa = 6.9) suggests that peroxynitrous acid reacts preferentially with the heme-Fe(III) atom, in the absence and presence of CO2. The HSA-heme-Fe(III)-catalyzed isomerization of peroxynitrite has been ascribed to the reactive pentacoordinated heme-Fe(III) atom. In the absence and presence of CO2, ibuprofen impairs dose-dependently peroxynitrite isomerization by HSA-heme-Fe(III) and facilitates the nitration of free added l-tyrosine; the value of the dissociation equilibrium constant for ibuprofen binding to HSA-heme-Fe(III) (L) ranges between 7.7 × 10−4 and 9.7 × 10−4 m. Under conditions where [ibuprofen] is ≫L, the kinetics of HSA-heme-Fe(III)-catalyzed isomerization of peroxynitrite is superimposable to that obtained in the absence of HSA-heme-Fe(III) or in the presence of non-catalytic HSA-heme-Fe(III)-cyanide complex and HSA. Ibuprofen binding impairs allosterically peroxynitrite isomerization by HSA-heme-Fe(III), inducing the hexacoordination of the heme-Fe(III) atom. These results represent the first evidence for peroxynitrite isomerization by HSA-heme-Fe(III), highlighting the allosteric modulation of HSA-heme-Fe(III) reactivity by heterotropic interaction(s), and outlining the role of drugs in modulating HSA functions. The present results could be relevant for the drug-dependent protective role

  19. An upper limit on additional neutrino mass eigenstate in 2 to 100 eV region from "Troitsk nu-mass" data

    CERN Document Server

    Belesev, A I; Geraskin, E V; Golubev, A A; Likhovid, N A; Nozik, A A; Pantuev, V S; Parfenov, V I; Skasyrskaya, A K

    2012-01-01

    We performed a search for any sign of an additional neutrino mass state in beta-electron spectrum based on data reanalysis of direct electron antineutrino mass measurements in Tritium beta-decay in the Troitsk nu-mass experiment. The existing data set allows us to search for such a state in the mass range up to 100 eV. The lowest value at a 95% C.L. upper limit for the contribution of a heavy eigenstate into electron neutrino is around or less than 1% for masses above 20 eV.

  20. Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths

    Energy Technology Data Exchange (ETDEWEB)

    Isegawa, Miho; Liu, Fengyi; Morokuma, Keiji [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Sakyo, Kyoto 606-8103 (Japan); Maeda, Satoshi [Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan)

    2014-06-28

    Photodissociation pathways of nitromethane following π → π{sup *} electronic excitation are reported. The potential energy surfaces for four lowest singlet states are explored, and structures of many intermediates, dissociation limits, transition states, and minimum energy conical intersections were determined using the automated searching algorism called the global reaction route mapping strategy. Geometries are finally optimized at CASSCF(14e,11o) level and energies are computed at CAS(14o,11e)PT2 level. The calculated preferable pathways and important products qualitatively explain experimental observations. The major photodissociation product CH{sub 3} and NO{sub 2} ({sup 2}B{sub 2}) is formed by direct dissociation from the S{sub 1} state. Important pathways involving S{sub 1} and S{sub 0} states for production of various dissociation products CH{sub 3}NO + O ({sup 1}D), CH{sub 3}O(X{sup 2}E) + NO (X{sup 2}Π), CH{sub 2}NO + OH, and CH{sub 2}O + HNO, as well as various isomerization pathways have been identified. Three roaming processes also have been identified: the O atom roaming in O dissociation from CH{sub 3}NO{sub 2}, the OH radical roaming in OH dissociation from CH{sub 2}N(O)(OH), and the NO roaming in NO dissociation from CH{sub 3}ONO.

  1. EV-Associated MMP9 in High-Grade Serous Ovarian Cancer Is Preferentially Localized to Annexin V-Binding EVs

    Directory of Open Access Journals (Sweden)

    Agnes T. Reiner

    2017-01-01

    Full Text Available High-grade serous ovarian cancer (HGSOC is the most aggressive type of ovarian cancer and is responsible for most deaths caused by gynecological cancers. Numerous candidate biomarkers were identified for this disease in the last decades, but most were not sensitive or specific enough for clinical applications. Hence, new biomarkers for HGSOC are urgently required. This study aimed to identify new markers by isolating different extracellular vesicle (EV types from the ascites of ovarian cancer patients according to their affinities for lipid-binding proteins and analyzing their protein cargo. This approach circumvents the low signal-to-noise ratio when using biological fluids for biomarker discovery and the issue of contamination by large non-EV complexes. We isolated and analyzed three distinct EV populations from the ascites of patients with ovarian cancer or cirrhosis and observed that Annexin V-binding EVs have higher levels of matrix metalloproteinase 9 in malignant compared to portal-hypertensive ascites. As this protein was not detected in other EV populations, this study validates our approach of using different EV types for optimal biomarker discovery. Furthermore, MMP9 in Annexin V-binding EVs could be a HGSOC biomarker with enhanced specificity, because its identification requires detection of two distinct components, that is, lipid and protein.

  2. 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.

  3. Absolute cross sections for electronic excitation of condensed tetrahydrofuran (THF) by 11-16 eV electrons.

    Science.gov (United States)

    Lemelin, V; Bass, A D; Cloutier, P; Sanche, L

    2016-11-07

    Absolute cross section (CS) data on the interaction of low energy electrons with DNA and its molecular constituents are required as input parameters in Monte-Carlo type simulations, for several radiobiological applications. Previously [V. Lemelin et al., J. Chem. Phys. 144, 074701 (2016)], we measured absolute vibrational CSs for low-energy electron scattering from condensed tetrahydrofuran, a convenient surrogate for the deoxyribose. Here we report absolute electronic CSs for energy losses of between 6 and 11.5 eV, by electrons with energies between 11 and 16 eV. The variation of these CSs with incident electron energy shows no evidence of transient anion states, consistent with theoretical and other experimental results, indicating that initial electron capture leading to DNA strand breaks occurs primarily on DNA bases or the phosphate group.

  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

  5. Tuning of Isomerization Rates in Indigo-Based Photoswitches

    Science.gov (United States)

    Samoylova, E.; Maerz, B.; Wiedbrauk, S.; Oesterling, S.; Nenov, A.; Dube, H.; de Vivie-Riedle, R.; Zinth, W.

    Ultrafast excited-state dynamics in indigo-based photochromic compounds was studied with the transient absorption spectroscopy and ab initio calculations. We demonstrate an approach for adjusting excited state relaxation routes and photoisomerization rates for applications where fast photoswitching is needed.

  6. Nitrosyl isomerism in amorphous Mn(TPP)(NO) solids.

    Science.gov (United States)

    Kurtikyan, Tigran S; Hayrapetyan, Vardan A; Martirosyan, Garik G; Ghazaryan, Robert K; Iretskii, Alexei V; Zhao, Hailiang; Pierloot, Kristine; Ford, Peter C

    2012-12-25

    Reaction of NO with amorphous Mn(TPP) layers gives two Mn(TPP)(NO) isomers with linear and bent Mn-N-O geometries that reversibly interconvert with changes in temperature. DFT computations predict that the linear complex is the singlet ground state while the bent structure is a triplet state.

  7. 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.

  8. 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.

  9. 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.

  10. 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...

  11. Extra virgin (EV) and ordinary (ON) olive oils: distinction and detection of adulteration (EV with ON) as determined by direct infusion electrospray ionization mass spectrometry and chemometric approaches.

    Science.gov (United States)

    Alves, Júnia de O; Neto, Waldomiro B; Mitsutake, Hery; Alves, Paulo S P; Augusti, Rodinei

    2010-07-15

    Extra virgin (EV), the finest and most expensive among all the olive oil grades, is often adulterated by the cheapest and lowest quality ordinary (ON) olive oil. A new methodology is described herein that provides a simple, rapid, and accurate way not only to detect such type of adulteration, but also to distinguish between these olive oil grades (EV and ON). This approach is based on the application of direct infusion electrospray ionization mass spectrometry in the positive ion mode, ESI(+)-MS, followed by the treatment of the MS data via exploratory statistical approaches, PCA (principal component analysis) and HCA (hierarchical clustering analysis). Ten distinct brands of each EV and ON olive oil, acquired at local stores, were analyzed by ESI(+)-MS and the results from HCA and PCA clearly indicated the formation of two distinct groups related to these two categories. For the adulteration study, one brand of each olive oil grade (EV and ON) was selected. The counterfeit samples (a total of 20) were then prepared by adding assorted proportions, from 1 to 20% w/w, with increments of 1% w/w, of the ON to the EV olive oil. The PCA and HCA methodologies, applied to the ESI(+)-MS data from the counterfeit (20) and authentic (10) EV samples, were able to readily detect adulteration, even at levels as low as 1% w/w. Copyright 2010 John Wiley & Sons, Ltd.

  12. Metal-centred azaphosphatriptycene gear with a photo- and thermally driven mechanical switching function based on coordination isomerism

    National Research Council Canada - National Science Library

    Hitoshi Ube; Yoshihiro Yasuda; Hiroyasu Sato; Mitsuhiko Shionoya

    2017-01-01

    .... Herein, we report a Pt II -centred molecular gear that demonstrates control of rotor engagement and disengagement based on photo- and thermally driven cis-trans isomerization at the PtII centre...

  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...

  14. 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...

  15. The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties.

    Science.gov (United States)

    Viana, Rommel B; da Silva, Albérico B F

    2014-08-01

    In this study was performed a quantum chemical investigation of the methylphosphine molecule and its radical, which may show potential implications in interstellar processes, and may be crucial atmospheric tracer gasses in the atmosphere of Giant planets. The analyses were performed with the density functional theory and coupled cluster methods. The anharmonic vibrational modes were predicted for all the isomers. The atomic charge distribution was analyzed with different methodologies and some methods fail to establish the correct sign for phosphorous atom charges. The CH2PH2/CH3PH and CHPH3/CH3PH energy gap is 16.45-17.43 and 67.05-69.02 kcal mol(-1), respectively. The CH2PH3/CH3PH2 energy difference ranges from 44.62 to 50.05 kcal mol(-1). The ionization energy predicted with the W1BD method for CH3PH and CH3PH2 are 8.73 and 9.01 eV, respectively. The heat of formation at 298 K for each molecule were calculated in kcal mol(-1): CH3PH (24.16-25.27), CH2PH2 (41.20-42.47), CHPH3 (92.50-94.23), CH3PH2 (-4.73-2.83) and CH2PH3 (40.03-42.55). The rotational energy barriers for CH3PH2 and CH2PH3 are 1.65 and 2.81 kcal mol(-1), respectively. The CHPH3→CH2PH2 unimolecular arrangement presents a barrier energy of 29.89 kcal mol(-1), whereas CH3PH→CH2PH2 is accessible overcoming a barrier of 42.42 kcal mol(-1). The H2-release routes for CH2PH2 from carbon and phosphorous atoms show a barrier of 98.19 and 46.67 kcal mol(-1), respectively. For the CH3PH2→CH2PH3 isomerization, an energy barrier of 94.00 kcal mol(-1) was predicted, while for the H2-release pathway for CH3PH2 it is necessary to pass a potential energy barrier of 97.56 kcal mol(-1).

  16. Herpes simplex virus 1 recombinants with noninverting genomes frozen in different isomeric arrangements are capable of independent replication.

    OpenAIRE

    Jenkins, F J; Roizman, B

    1986-01-01

    Herpes simplex virus 1 genome consists of two covalently linked components, L and S, that invert relative to each other to yield four equimolar isomeric populations designated P (prototype), Is (inversion of S component), Il (inversion of L component), and Ils (inversion of L and S components) differing in the orientation of the two components. Previous studies have yielded recombinant genomes frozen in the P isomeric arrangement, reinforcing suggestions that the four isomers may not be funct...

  17. 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.

  18. Ion exchange resins as catalyst for the isomerization of alpha-pinene to camphene.

    Science.gov (United States)

    Chimal-Valencia, O; Robau-Sánchez, A; Collins-Martínez, V; Aguilar-Elguézabal, A

    2004-06-01

    Camphene is an industrial intermediate compound for commercial chemicals such as isoborneol, isobornyl acetate and camphor. Industrially, the conventional process for camphene production consists of the isomerization of alpha-pinene using acidic TiO2 as catalyst. The use of this catalyst presents problems such as considerable time for preparation, reproducibility and recovery of catalyst from products after the alpha-pinene isomerization. For the first time, a commercial exchange resin was used as catalyst for this reaction. Based on the concentration of product as a function of the reaction time, the path of the alpha-pinene transformation to camphene and byproducts is proposed. Temperature and alpha-pinene/catalyst ratio were studied in order to optimize the yield to camphene production. The obtained results were comparable with those reported for acidic TiO2. Copyright 2003 Elsevier Ltd.

  19. 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...... xyluloside (step 1) followed by hydrolysis after water addition to form additional xylulose (step 2). NMR spectroscopy studies performed with 13C-labeled xylose confirmed the proposed reaction pathway. The most active catalyst examined was zeolite Y, which proved more active than zeolite beta, ZSM-5......, and mordenite. The yield of xylulose obtained over H-USY (Si/Al=6) after 1 h of reaction at 1008C was 39%. After water hydrolysis in the second reaction step, the yield increased to 47%. Results obtained from pyridine adsorption studies confirm that H-USY (6) is a catalyst that combines Brønsted and Lewis acid...

  20. 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.

  1. Assessing computationally efficient isomerization dynamics: Delta-SCF density-functional theory study of azobenzene molecular switching

    CERN Document Server

    Maurer, Reinhard J; 10.1063/1.3664305

    2012-01-01

    We present a detailed comparison of the S0, S1 (n -> \\pi*) and S2 (\\pi -> \\pi*) potential energy surfaces (PESs) of the prototypical molecular switch azobenzene as obtained by Delta-self-consistent-field (Delta-SCF) Density-Functional Theory (DFT), time-dependent DFT (TD-DFT) and approximate Coupled Cluster Singles and Doubles (RI-CC2). All three methods unanimously agree in terms of the PES topologies, which are furthermore fully consistent with existing experimental data concerning the photo-isomerization mechanism. In particular, sum-method corrected Delta-SCF and TD-DFT yield very similar results for S1 and S2, when based on the same ground-state exchange-correlation (xc) functional. While these techniques yield the correct PES topology already on the level of semi-local xc functionals, reliable absolute excitation energies as compared to RI-CC2 or experiment require an xc treatment on the level of long-range corrected hybrids. Nevertheless, particularly the robustness of Delta-SCF with respect to state c...

  2. Green-lighting green fluorescent protein: faster and more efficient folding by eliminating a cis-trans peptide isomerization event.

    Science.gov (United States)

    Rosenman, David J; Huang, Yao-ming; Xia, Ke; Fraser, Keith; Jones, Victoria E; Lamberson, Colleen M; Van Roey, Patrick; Colón, Wilfredo; Bystroff, Christopher

    2014-04-01

    Wild-type green fluorescent protein (GFP) folds on a time scale of minutes. The slow step in folding is a cis-trans peptide bond isomerization. The only conserved cis-peptide bond in the native GFP structure, at P89, was remodeled by the insertion of two residues, followed by iterative energy minimization and side chain design. The engineered GFP was synthesized and found to fold faster and more efficiently than its template protein, recovering 50% more of its fluorescence upon refolding. The slow phase of folding is faster and smaller in amplitude, and hysteresis in refolding has been eliminated. The elimination of a previously reported kinetically trapped state in refolding suggests that X-P89 is trans in the trapped state. A 2.55 Å resolution crystal structure revealed that the new variant contains only trans-peptide bonds, as designed. This is the first instance of a computationally remodeled fluorescent protein that folds faster and more efficiently than wild type. © 2014 The Protein Society.

  3. An examination of the pumping requirements for multiphoton deexcitations of isomeric levels

    Science.gov (United States)

    Sparrow, D. A.; Balko, B.; Dixit, S.

    1988-12-01

    Deexcitation of isomeric levels via virtual excitation of higher levels with short lifetimes is calculated for a variety of circumstances. On and off resonance processes as well as single and multiple photon excitations are considered. Parameters characteristic of atomic and nuclear systems are contrasted. For the nuclear systems, the small excitation cross sections resulting from the small nuclear size leads to enormous intensity requirements for the pumping of nuclear isomers.

  4. Origin and switch of different colors: Thermo-isomerism and crystal ...

    Indian Academy of Sciences (India)

    Refluxing in MeOH solution led to thermo-isomerism offering a white isomer product that was characterized by X-ray crystallography. The red isomer crystallizes in the orthorhombic system having space group Pbcn, with a = 12.7612(4), b = 11.5197(3), c = 20.1586(7) Å, V = 2963.42(16)Å3, Z = 8 while the white isomer ...

  5. Origin and switch of different colors: Thermo-isomerism and crystal ...

    Indian Academy of Sciences (India)

    X-ray crystallography. Refluxing in MeOH solution led to thermo-isomerism offering a white isomer product that was characterized by X-ray crystallography. The red isomer crystallizes in the orthorhombic system having space group Pbcn, with a = 12.7612(4), b = 11.5197(3), c = 20.1586(7) Å, V = 2963.42(16) Å3, Z = 8 while.

  6. Support enhanced α-pinene isomerization over HPW/SBA-15

    OpenAIRE

    Frattini, Lucia; Isaacs, Mark A.; Parlett, Christopher M.A.; Wilson, Karen; Kyriakou, Georgios; Adam F. Lee

    2017-01-01

    A family of mesoporous SBA-15 supported H3PW12O40 (HPW) catalysts were synthesized by wet-impregnation and compared with fumed silica analogues for the solventless isomerization of α-pinene under mild conditions. Structural and acidic properties of supported HPW materials were characterized by powder XRD, HRTEM, XPS, TGA, N2 porosimetry, DRIFTS, and ammonia and propylamine chemisorption and TPD. The high area, mesoporous SBA-15 architecture facilitates the formation of highly dispersed (isola...

  7. Bimetallic Pt-Ni catalysts supported on usy zeolite for n-hexane isomerization

    Directory of Open Access Journals (Sweden)

    F. V. Barsi

    2009-06-01

    Full Text Available Isomerization of linear alkanes has had considerable importance for the refining industry because the isomers formed in this reaction have high octane number. Most works reported in the literature studied the use of bifunctional catalysts, i.e., ones that have acid sites and metallic sites. In this study, bifunctional monometallic (Ni or Pt and bimetallic catalysts (Pt-Ni, using HUSY zeolite as the support, were prepared in order to verify the role of the metal content and composition on the catalytic properties for n-hexane isomerization. The method used for metal dispersion in the zeolite was competitive ion exchange using ammine complexes [Ni(NH36]Cl2 and [Pt(NH34]Cl2 as precursors. Four series of catalysts with constant atomic metal content had total metal amounts between 130 and 280 µmol M/g cat. Catalysts were characterized by temperature programmed reduction (TPR and subjected to catalytic evaluation for n-hexane isomerization at 250 ºC and 1 atm using H2/C6 = 9 molar ratio. TPR results show an easier reducibility of Ni+2 cations in the presence of Pt, which was evidenced by the displacement of the reduction peak of those cations towards lower temperatures in bimetallic catalysts. The bimetallic catalysts presented a higher activity in the isomerization of n-hexane when compared to the monometallic ones, as well better stability as the Pt content in the solid increases. The results of the activity as a function of the Pt content in the bimetallic catalysts show a maximum value around 50% of Pt. An addition of Pt above this critical value leads to a small decrease of the catalytic activity.

  8. Simultaneous assessment of Asp isomerization and Asn deamidation in recombinant antibodies by LC-MS following incubation at elevated temperatures.

    Directory of Open Access Journals (Sweden)

    Katharina Diepold

    Full Text Available The degradation of proteins by asparagine deamidation and aspartate isomerization is one of several chemical degradation pathways for recombinant antibodies. In this study, we have identified two solvent accessible degradation sites (light chain aspartate-56 and heavy chain aspartate-99/101 in the complementary-determining regions of a recombinant IgG1 antibody susceptible to isomerization under elevated temperature conditions. For both hot-spots, the degree of isomerization was found to be significantly higher than the deamidation of asparagine-(387, 392, 393 in the conserved CH3 region, which has been identified as being solvent accessible and sensitive to chemical degradation in previous studies. In order to reduce the time for simultaneous identification and functional evaluation of potential asparagine deamidation and aspartate isomerization sites, a test system employing accelerated temperature conditions and proteolytic peptide mapping combined with quantitative UPLC-MS was developed. This method occupies the formulation buffer system histidine/HCl (20 mM; pH 6.0 for denaturation/reduction/digestion and eliminates the alkylation step. The achieved degree of asparagine deamidation and aspartate isomerization was adequate to identify the functional consequence by binding studies. In summary, the here presented approach greatly facilitates the evaluation of fermentation, purification, formulation, and storage conditions on antibody asparagine deamidation and aspartate isomerization by monitoring susceptible marker peptides located in the complementary-determining regions of recombinant antibodies.

  9. Workplace Charging Behavior of Nissan Leafs in The EV Project at Six Work Sites

    Energy Technology Data Exchange (ETDEWEB)

    Rohrbaugh, David [Idaho National Lab. (INL), Idaho Falls, ID (United States); Smart, John [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-11-01

    This paper documents findings from analysis of data collected from Nissan Leafs enrolled in The EV Project who parked and charged at six workplaces with EV charging equipment. It will be published as a white paper on INL's website, accessible by the general public.

  10. 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

  11. 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 ...

  12. 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.

  13. 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.

  14. Impact Study of Electric Vehicle (EV) Integration on Low Voltage (LV) Grids

    DEFF Research Database (Denmark)

    Wu, Qiuwei; Cha, Seung-Tae; Nielsen, Arne Hejde

    2012-01-01

    Large scale deployment of electric vehicles (EVs) has become a very interesting option because it can both reduce the greenhouse gas (GHG) emission from the transport sector and facilitate the integration of more renewable energy resources (RES) by providing the flexibility of EV charging demands...

  15. 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…

  16. Peptidyl-prolyl isomerization targets rice Aux/IAAs for proteasomal degradation during auxin signalling.

    Science.gov (United States)

    Jing, Hongwei; Yang, Xiaolu; Zhang, Jian; Liu, Xuehui; Zheng, Huakun; Dong, Guojun; Nian, Jinqiang; Feng, Jian; Xia, Bin; Qian, Qian; Li, Jiayang; Zuo, Jianru

    2015-06-22

    In plants, auxin signalling is initiated by the auxin-promoted interaction between the auxin receptor TIR1, an E3 ubiquitin ligase, and the Aux/IAA transcriptional repressors, which are subsequently degraded by the proteasome. Gain-of-function mutations in the highly conserved domain II of Aux/IAAs abolish the TIR1-Aux/IAA interaction and thus cause an auxin-resistant phenotype. Here we show that peptidyl-prolyl isomerization of rice OsIAA11 catalysed by LATERAL ROOTLESS2 (LRT2), a cyclophilin-type peptidyl-prolyl cis/trans isomerase, directly regulates the stability of OsIAA11. NMR spectroscopy reveals that LRT2 efficiently catalyses the cis/trans isomerization of OsIAA11. The lrt2 mutation reduces OsTIR1-OsIAA11 interaction and consequently causes the accumulation of a higher level of OsIAA11 protein. Moreover, knockdown of the OsIAA11 expression partially rescues the lrt2 mutant phenotype in lateral root development. Together, these results illustrate cyclophilin-catalysed peptidyl-prolyl isomerization promotes Aux/IAA degradation, as a mechanism regulating auxin signalling.

  17. An efficient process for obtaining prebiotic oligosaccharides derived from lactulose using isomerized and purified whey permeate.

    Science.gov (United States)

    Sabater, Carlos; Olano, Agustín; Prodanov, Marin; Montilla, Antonia; Corzo, Nieves

    2017-12-01

    One of the most promising uses of whey permeate (WP) is the synthesis of prebiotic oligosaccharides. Herein, commercial WP was submitted to chemical isomerization catalysed by sodium borate at an alkaline pH and subsequent purification using anion-exchange resins to remove boron. Subsequently, purified mixtures were used to synthesize prebiotic oligosaccharides using β-galactosidase from Bacillus circulans. Isomerization of concentrated WP (200 g L -1 lactose) gave rise to levels of lactulose up to 155.5 g L -1 after 30 min of reaction (molar ratio of boron/lactose, 1/1; pH 12; 70 °C). Boron was removed from the isomerized WP (IWP) using the combination of a strong acid (IR-120, H + ) and a weak base (IRA-743) anion-exchange resins, reducing its level to <1 ppm, without loss of lactulose. During the transglycosylation reaction of purified IWP (lactose/lactulose ratio, 1/2.4) maximum content of prebiotic compounds was achieved, i.e. 690 g kg -1 WP after 3 h of reaction. This study shows that combined chemical-enzymatic reactions together with the purification of IWP results in an efficient synthesis of prebiotic oligosaccharides. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  18. IR-induced conformational isomerization of a helical peptide in a cold ion trap

    Science.gov (United States)

    Seaiby, Caroline; Zabuga, Aleksandra V.; Svendsen, Annette; Rizzo, Thomas R.

    2016-01-01

    In this work, we use laser-induced population transfer techniques to study the conformational isomerization of a helical peptide, Ac-Phe-(Ala)5-LysH+, in a cold ion trap. In one scheme, called IR-UV hole-filling spectroscopy, a single conformation is selectively excited with an IR pump laser via a distinct NH stretch vibration. After giving the vibrationally excited ions sufficient time to isomerize and re-cool in the trap, the new conformational redistribution is detected by UV photofragment spectroscopy. While we clearly observe a redistribution of the conformer populations due to isomerization, only those conformations that initially have population participate in this redistribution—we do not form conformers that were not initially present in the trap. In a second scheme, called IR-induced population transfer spectroscopy, we determine the fractional populations of the four stable conformations of Ac-Phe-(Ala)5-LysH+ by scanning the IR laser while selectively detecting a specific conformation using UV photofragment spectroscopy.

  19. 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.

  20. 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

  1. Core-coupled states and split proton-neutron quasiparticle multiplets in 122-126Ag

    Science.gov (United States)

    Lalkovski, S.; Bruce, A. M.; Jungclaus, A.; Górska, M.; Pfützner, M.; Cáceres, L.; Naqvi, F.; Pietri, S.; Podolyák, Zs.; Simpson, G. S.; Andgren, K.; Bednarczyk, P.; Beck, T.; Benlliure, J.; Benzoni, G.; Casarejos, E.; Cederwall, B.; Crespi, F. C. L.; Cuenca-García, J. J.; Cullen, I. J.; Denis Bacelar, A. M.; Detistov, P.; Doornenbal, P.; Farrelly, G. F.; Garnsworthy, A. B.; Geissel, H.; Gelletly, W.; Gerl, J.; Grebosz, J.; Hadinia, B.; Hellström, M.; Hinke, C.; Hoischen, R.; Ilie, G.; Jaworski, G.; Jolie, J.; Khaplanov, A.; Kisyov, S.; Kmiecik, M.; Kojouharov, I.; Kumar, R.; Kurz, N.; Maj, A.; Mandal, S.; Modamio, V.; Montes, F.; Myalski, S.; Palacz, M.; Prokopowicz, W.; Reiter, P.; Regan, P. H.; Rudolph, D.; Schaffner, H.; Sohler, D.; Steer, S. J.; Tashenov, S.; Walker, J.; Walker, P. M.; Weick, H.; Werner-Malento, E.; Wieland, O.; Wollersheim, H. J.; Zhekova, M.

    2013-03-01

    Neutron-rich silver isotopes were populated in the fragmentation of a 136Xe beam and the relativistic fission of 238U. The fragments were mass analyzed with the GSI Fragment Separator and subsequently implanted into a passive stopper. Isomeric transitions were detected by 105 high-purity germanium detectors. Eight isomeric states were observed in 122-126Ag nuclei. The level schemes of 122,123,125Ag were revised and extended with isomeric transitions being observed for the first time. The excited states in the odd-mass silver isotopes are interpreted as core-coupled states. The isomeric states in the even-mass silver isotopes are discussed in the framework of the proton-neutron split multiplets. The results of shell-model calculations, performed for the most neutron-rich silver nuclei are compared to the experimental data.

  2. Tracking the Excited-State Time Evolution of the Visual Pigment with Multiconfigurational Quantum Chemistry

    National Research Council Canada - National Science Library

    Luis Manuel Frutos; Tadeusz Andruniów; Fabrizio Santoro; Nicolas Ferré; Massimo Olivucci

    2007-01-01

    ...). Here, we use a scaled quantum mechanics/molecular mechanics potential that reproduces the isomerization path determined with multiconfigurational perturbation theory to follow the excited-state evolution of bovine Rh...

  3. Effects of relativity for atomization and isomerization energies of seaborgium carbonyl SgCO and seaborgium isocarbonyl SgOC: Relativity predicts SgOC to be more stable than SgCO

    Directory of Open Access Journals (Sweden)

    Gulzari L. Malli

    2015-12-01

    Full Text Available Our ab initio all-electron fully relativistic Dirac-Fock (DF and nonrelativistic Hartree-Fock (NR calculations for seaborgium isocarbonyl SgOC predict atomization energy (AE of 13.04 and 11.05 eV, respectively. However, the corresponding DF and NR atomization energies for the seaborgium carbonyl SgCO are predicted as 12.75 and 12.45 eV, respectively. This is the first such result in Chemistry where an isocarbonyl (and especially for a system of superheavy element Sg is predicted to be more stable at the DF level of theory than the corresponding carbonyl. The predicted energy for the formation of the carbonyl SgCO at the relativistic DF and NR levels of theory is -54.90 and -50.95 kJ /mol, whereas the corresponding energy of formation of the isocarbonyl SgOC is -64.44 and -18.64 kJ/mol, respectively. Ours are the first results of relativistic effects for isomerization and atomization energies of the superheavy seaborgium isocarbonyl SgOC and its isomer SgCO.The formation of isocarbonyl SgOC, should be favored over the carbonyl isomer SgCO in the first step of the reaction Sg+CO →SgOC.

  4. 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......Electric vehicles (EV) can become integral parts of a smart grid, since they are capable of providing valuable services to power systems other than just consuming power. As an important solution to balance the intermittent renewable energy re-sources, such as wind power and PVs, EVs can absorb...... challenges to the utility system operator; accordingly, smart charging of EVs is needed. This paper presents a review and classification of methods for smart charging of EVs found in the literature. The study is mainly executed from the control theory perspectives. Firstly, service dependent aggrega...

  5. Isomeric decay of {sup 67}Fe --Evidence for deformation

    Energy Technology Data Exchange (ETDEWEB)

    Sawicka, M.; Janas, Z. [Institute of Experimental Physics, Warsaw University, PL-00681 Warsaw, Hoza 69 (Poland); Daugas, J.M.; de France, G.; Lewitowicz, M.; Matea, I. [GANIL BP 5027, 14076 Caen Cedex 5 (France); Grawe, H.; Hellstroem, M. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt, D-64291 Darmstadt (Germany); Cwiok, S. [Faculty of Physics, Warsaw University of Technology, PL-00662 Warsaw, Koszykowa 75 (Poland); Balabanski, D.L. [University of Leuven, IKS, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); University of Tennessee, Knoxville, TN 37996 (United States); St. Kilment Ohridski University of Sofia, BG-1164 Sofia (Bulgaria); Beraud, R. [IPN Lyon, 69622 Villeurbane Cedex (France); Bingham, C. [University of Tennessee, Knoxville, TN 37996 (United States); Borcea, C. [IAP Bucharest-Marguele P.O. Box MG6 (Romania); La Commara, M. [Department of Physics, University of Naples ' ' Federico II' ' , I-80126 Naples (Italy); Georgiev, G. [University of Leuven, IKS, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); Gorska, M. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt, D-64291 Darmstadt (Germany); University of Leuven, IKS, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); Grzywacz, R. [Institute of Experimental Physics, Warsaw University, PL-00681 Warsaw, Hoza 69 (Poland); University of Tennessee, Knoxville, TN 37996 (United States); Hass, M. [Department of Particle Physics, The Weizmann Institute of Science, 76100 Rehovot (Israel); Mach, H. [Department of Radiation Sciences, Uppsala University, S-61182, Nykoeping (Sweden); Neyens, G. [University of Leuven, IKS, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); O' Leary, C.; de Oliveira Santos, F.; Page, R.D.; Pfuetzner, M.; Podolyak, Zs.; Rykaczewski, K.; Stanoiu, M.; Zylicz, J.

    2003-01-01

    Decay-spectroscopy study of the {sup 67m}Fe isomer has been performed at GANIL. This isomer is found to have an energy of 387 keV and a half-life of 75(21) {mu}s. An intermediate excited state is introduced at 367 keV. The results are interpreted in terms of various nuclear models, and a deformed shape is inferred for {sup 67}Fe. (orig.)

  6. Photoionization mass spectrometric study of the prebiotic species formamide in the 10-20 eV photon energy range.

    Science.gov (United States)

    Leach, Sydney; Jochims, Hans-Werner; Baumgärtel, Helmut

    2010-04-15

    A photoion mass spectrometry study of the prebiotic species formamide was carried out using synchrotron radiation over the photon energy range 10-20 eV. Photoion yield curves were measured for the parent ion and seven fragment ions. The ionization energy of formamide was determined as IE (1(2)A') = 10.220 +/- 0.005 eV, in agreement with a value obtained by high resolution photoelectron spectroscopy. The adiabatic energy of the first excited state of the ion, 1(2)A'', was revised to 10.55 eV. A comparison of the ionization energies of related formamides, amino acids, and polypeptides provides useful information on the varied effects of methylation and shows that polymerization does not substantially alter the ionization properties of the amino acid monomer units. Assignments of the fragment ions and the pathways of their formation by dissociative photoionization were made on the basis of ion appearance energies in conjunction with thermochemical data and the results of earlier electron impact mass spectral studies. Some of the dissociation pathways are considered to involve coupling between the 1(2)A' ground state and the low-lying 1(2)A'' excited state of the cation. Heats of formation are derived for all ions detected and are compared with literature values where they exist. Formation of the HNCO(+) ion occurs by two separate paths, one involving H(2) loss, the other H + H. In the conclusion a brief discussion is given of some astrophysical implications of these results.

  7. PAH chemistry at eV internal energies. 2. Ring alteration and dissociation

    Science.gov (United States)

    Trinquier, Georges; Simon, Aude; Rapacioli, Mathias; Gadéa, Florent Xavier

    2017-06-01

    Recognized as important interstellar constituents, polycyclic aromatic hydrocarbons (PAHs) have been intensively studied in astrochemistry and their spectroscopy, thermodynamics, dynamics, and fragmentations are now amply documented. There exists typical alternatives to the ground-state regular planar structures of PAHs, as long as they bear internal energies in the range 1-10 eV. Resulting from intramolecular rearrangements, such high-lying minima on the potential-energy surfaces should be taken into consideration in the studies of PAH processing in astrophysical conditions. Resting upon DFT calculations mainly performed on two emblematic PAH representatives, coronene and pyrene, in their neutral and mono- and multi-cationic states, this second survey addresses the following alternatives: (1) opened forms containing ethynyl or 2-butynyl groups, (2) vinylidene isomers, in which phenanthrene patterns are reorganized into dibenzofulvene ones, (3) ;twisted; forms, where external CHdbnd CH bonds can be partly twisted, and (4) bicyclobutane forms, in which the latter are integrated in saturated bicyclic forms. A few scenarios for elimination of fragments H, H2, C2H2 and C2H4 are explored. As far as possible, familiar concepts of organic chemistry, such as aromaticity or Clar's rules, are invoked for interpretations.

  8. Standards for EV charging and their usability for providing V2G services in the primary reserve market

    DEFF Research Database (Denmark)

    Martinenas, Sergejus; Vandael, Stijn; Andersen, Peter Bach

    2016-01-01

    Transition to sustainable energy and transport is inevitable, which brings new challenges for the existing power grid. Meanwhile, electric vehicles (EVs) are becoming more widespread and their potential for grid support services is becoming more evident. However, such intelligent integration of E...... into a smart grid is highly dependent on infrastructure and communication. This work overviews and analyses the current state of available standards in the field of eMobility. It particularly focuses on their usability for enabling V2G services such as primary frequency regulation....

  9. Dual baseline search for muon neutrino disappearance at 0.5eV2<Δm2<40eV2

    Science.gov (United States)

    Mahn, K. B. M.; Nakajima, Y.; Aguilar-Arevalo, A. A.; Alcaraz-Aunion, J. L.; Anderson, C. E.; Bazarko, A. O.; Brice, S. J.; Brown, B. C.; Bugel, L.; Cao, J.; Catala-Perez, J.; Cheng, G.; Coney, L.; Conrad, J. M.; Cox, D. C.; Curioni, A.; Dharmapalan, R.; Djurcic, Z.; Dore, U.; Finley, D. A.; Fleming, B. T.; Ford, R.; Franke, A. J.; Garcia, F. G.; Garvey, G. T.; Giganti, C.; Gomez-Cadenas, J. J.; Grange, J.; Green, C.; Green, J. A.; Guzowski, P.; Hanson, A.; Hart, T. L.; Hawker, E.; Hayato, Y.; Hiraide, K.; Huelsnitz, W.; Imlay, R.; Johnson, R. A.; Jones, B. J. P.; Jover-Manas, G.; Karagiorgi, G.; Kasper, P.; Katori, T.; Kobayashi, Y. K.; Kobilarcik, T.; Kourbanis, I.; Koutsoliotas, S.; Kubo, H.; Kurimoto, Y.; Laird, E. M.; Linden, S. K.; Link, J. M.; Liu, Y.; Liu, Y.; Louis, W. C.; Loverre, P. F.; Ludovici, L.; Mariani, C.; Marsh, W.; Masuike, S.; Matsuoka, K.; Mauger, C.; McGary, V. T.; McGregor, G.; Metcalf, W.; Meyers, P. D.; Mills, F.; Mills, G. B.; Mitsuka, G.; Miyachi, Y.; Mizugashira, S.; Monroe, J.; Moore, C. D.; Mousseau, J.; Nakaya, T.; Napora, R.; Nelson, R. H.; Nienaber, P.; Nowak, J. A.; Orme, D.; Osmanov, B.; Otani, M.; Ouedraogo, S.; Patterson, R. B.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Prebys, E.; Raaf, J. L.; Ray, H.; Roe, B. P.; Russell, A. D.; Sanchez, F.; Sandberg, V.; Schirato, R.; Schmitz, D.; Shaevitz, M. H.; Shibata, T.-A.; Shoemaker, F. C.; Smith, D.; Soderberg, M.; Sorel, M.; Spentzouris, P.; Spitz, J.; Stancu, I.; Stefanski, R. J.; Sung, M.; Takei, H.; Tanaka, H. A.; Tanaka, H.-K.; Tanaka, M.; Tayloe, R.; Taylor, I. J.; Tesarek, R. J.; Tzanov, M.; Uchida, Y.; van de Water, R.; Walding, J. J.; Wascko, M. O.; White, D. H.; White, H. B.; Wilking, M. J.; Yokoyama, M.; Yang, H. J.; Zeller, G. P.; Zimmerman, E. D.

    2012-02-01

    The SciBooNE and MiniBooNE collaborations report the results of a νμ disappearance search in the Δm2 region of 0.5-40eV2. The neutrino rate as measured by the SciBooNE tracking detectors is used to constrain the rate at the MiniBooNE Cherenkov detector in the first joint analysis of data from both collaborations. Two separate analyses of the combined data samples set 90% confidence level (CL) limits on νμ disappearance in the 0.5-40eV2 Δm2 region, with an improvement over previous experimental constraints between 10 and 30eV2.

  10. Role of Solvent and Effect of Substituent on Azobenzene Isomerization by Using Room-Temperature Ionic Liquids as Reaction Media.

    Science.gov (United States)

    Angelini, Guido; Canilho, Nadia; Emo, Mélanie; Kingsley, Molly; Gasbarri, Carla

    2015-08-07

    The effects of a para substituent, as the electron-donating -OCH3 and -OtBu groups and the electron-withdrawing -Br and -F atoms, on azobenzene isomerization have been investigated in a series of imidazolium ionic liquids (BMIM PF6, BMIM BF4, BMIM Tf2N, EMIM Tf2N, BM2IM Tf2N, and HMIM Tf2N). The thermal cis-trans conversion tends to be improved in the presence of the substituent, as pointed out by the first-order rate constants measured at 25 °C. Both the rotation and the inversion mechanisms occur in BMIM Tf2N, EMIM Tf2N, and HMIM Tf2N, as highlighted by typical V-shape Hammett plots, but only rotation takes place in BMIM PF6, BMIM BF4, and BM2IM Tf2N. The possible interactions between the cation and the anion of the solvent and both the isomers of the azobenzene derivatives have been studied by small-wide-angle X-ray scattering (SWAXS). The calculated cis population in the photostationary state and the hardness parameter η of the trans isomer show that azobenzene and F-azobenzene are the less reactive molecules for the trans-cis conversion in all the investigated ionic liquids.

  11. Femtosecond infrared spectroscopy of channelrhodopsin-1 chromophore isomerization.

    Science.gov (United States)

    Stensitzki, T; Yang, Y; Muders, V; Schlesinger, R; Heberle, J; Heyne, K

    2016-07-01

    Vibrational dynamics of the retinal all-trans to 13-cis photoisomerization in channelrhodopsin-1 from Chlamydomonas augustae (CaChR1) was investigated by femtosecond visible pump mid-IR probe spectroscopy. After photoexcitation, the transient infrared absorption of C-C stretching modes was detected. The formation of the 13-cis photoproduct marker band at 1193 cm(-1) was observed within the time resolution of 0.3 ps. We estimated the photoisomerization yield to (60 ± 6) %. We found additional time constants of (0.55 ± 0.05) ps and (6 ± 1) ps, assigned to cooling, and cooling processes with a back-reaction pathway. An additional bleaching band demonstrates the ground-state heterogeneity of retinal.

  12. Femtosecond infrared spectroscopy of channelrhodopsin-1 chromophore isomerization

    Directory of Open Access Journals (Sweden)

    T. Stensitzki

    2016-07-01

    Full Text Available Vibrational dynamics of the retinal all-trans to 13-cis photoisomerization in channelrhodopsin-1 from Chlamydomonas augustae (CaChR1 was investigated by femtosecond visible pump mid-IR probe spectroscopy. After photoexcitation, the transient infrared absorption of C-C stretching modes was detected. The formation of the 13-cis photoproduct marker band at 1193 cm−1 was observed within the time resolution of 0.3 ps. We estimated the photoisomerization yield to (60 ± 6 %. We found additional time constants of (0.55 ± 0.05 ps and (6 ± 1 ps, assigned to cooling, and cooling processes with a back-reaction pathway. An additional bleaching band demonstrates the ground-state heterogeneity of retinal.

  13. 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...... forms and of the catalyst properties remain incompletely understood. By using NMR spectroscopy, we elucidate the interplay of the catalyst active sites in converting monosaccharide forms to products, byproducts, and intermediates in alcohols....

  14. 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.

  15. Quantifying EV battery end-of-life through analysis of travel needs with vehicle powertrain models

    Science.gov (United States)

    Saxena, Samveg; Le Floch, Caroline; MacDonald, Jason; Moura, Scott

    2015-05-01

    Electric vehicles enable clean and efficient transportation, however concerns about range anxiety and battery degradation hinder EV adoption. The common definition for battery end-of-life is when 70-80% of original energy capacity remains, however little analysis is available to support this retirement threshold. By applying detailed physics-based models of EVs with data on how drivers use their cars, we show that EV batteries continue to meet daily travel needs of drivers well beyond capacity fade of 80% remaining energy storage capacity. Further, we show that EV batteries with substantial energy capacity fade continue to provide sufficient buffer charge for unexpected trips with long distances. We show that enabling charging in more locations, even if only with 120 V wall outlets, prolongs useful life of EV batteries. Battery power fade is also examined and we show EVs meet performance requirements even down to 30% remaining power capacity. Our findings show that defining battery retirement at 70-80% remaining capacity is inaccurate. Battery retirement should instead be governed by when batteries no longer satisfy daily travel needs of a driver. Using this alternative retirement metric, we present results on the fraction of EV batteries that may be retired with different levels of energy capacity fade.

  16. Conformational States of the Spiropyran Molecule

    Directory of Open Access Journals (Sweden)

    Olha Kovalenko

    2015-01-01

    Full Text Available The form of the potential surface of the ground state was investigated on the basis of indoline spiropyran. As a result of this work the rotamers of an open-ring form of the spiropyran molecule were discovered, and the existence of the most probable rotamers was justified. The 3D potential surface of the ground state of the spiropyran molecule was built. The route of the isomerization of the molecule was discovered and values of barriers for this reaction were found. The part of the isomerization route that is responsible for changing the hybridization of spiroatom from sp3 to sp2 was found.

  17. 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...

  18. The legacy of A.N. Leont'ev : An introduction

    OpenAIRE

    Haenen, J.P.P.

    1995-01-01

    Aleksei Nikolaevich Leont'ev was born on 5 February 1903 and died on 21 January 1979, shortly before turning 76. There is no doubt that Leont'ev played a crucial role in Russian psychology during the Soviet phase of its development. His articles can be found in previous issues of this journal, and his lasting influence on current (Russian) psychology can readily be demonstrated: he is one of the "giants of Soviet psychology" (Cole & Cole, 1971). Leont'ev acquired great influence in Soviet/Rus...

  19. Comparative analysis of EV isolation procedures for miRNAs detection in serum samples

    Directory of Open Access Journals (Sweden)

    Zoraida Andreu

    2016-06-01

    Full Text Available Extracellular vesicles (EVs are emerging as potent non-invasive biomarkers. However, current methodologies are time consuming and difficult to translate to clinical practice. To analyse EV-encapsulated circulating miRNA, we searched for a quick, easy and economic method to enrich frozen human serum samples for EV. We compared the efficiency of several protocols and commercial kits to isolate EVs. Different methods based on precipitation, columns or filter systems were tested and compared with ultracentrifugation, which is the most classical protocol to isolate EVs. EV samples were assessed for purity and quantity by nanoparticle tracking analysis and western blot or cytometry against major EV protein markers. For biomarker validation, levels of a set of miRNAs were determined in EV fractions and compared with their levels in total serum. EVs isolated with precipitation-based methods were enriched for a subgroup of miRNAs that corresponded to miRNAs described to be encapsulated into EVs (miR-126, miR-30c and miR-143, while the detection of miR-21, miR-16-5p and miR-19a was very low compared with total serum. Our results point to precipitation using polyethylene glycol (PEG as a suitable method for an easy and cheap enrichment of serum EVs for miRNA analyses. The overall performance of PEG was very similar, or better than other commercial precipitating reagents, in both protein and miRNA yield, but in comparison to them PEG is much cheaper. Other methods presented poorer results, mostly when assessing miRNA by qPCR analyses. Using PEG precipitation in a longitudinal study with human samples, we demonstrated that miRNA could be assessed in frozen samples up to 8 years of storage. We report a method based on a cut-off value of mean of fold EV detection versus serum that provides an estimate of the degree of encapsulation of a given miRNA.

  20. High yield, scalable and remotely drug-loaded neutrophil-derived extracellular vesicles (EVs) for anti-inflammation therapy.

    Science.gov (United States)

    Gao, Jin; Wang, Sihan; Wang, Zhenjia

    2017-08-01

    Extracellular vesicles (EVs) are nanoscale membrane-formed compartments naturally secreted from cells, which are intercellular mediators regulating physiology and pathogenesis, therefore they could be a novel therapeutic carrier for targeted delivery. However, the translation of EVs is hindered by the heterogeneous composition, low yield, inefficient drug loading and unlikely scalability. Here we report a strategy to generate EVs using nitrogen cavitation (NC-EVs) that instantly disrupts neutrophils to form nanosized membrane vesicles. NC-EVs are similar to naturally secreted EVs (NS-EVs), but contain less subcellular organelles and nuclear acids. The production of NC-EVs was increased by 16 folds and is easy to scale up for clinical use compared to NS-EVs. To examine the usefulness of NC-EVs as a drug delivery platform, piceatannol (an anti-inflammation drug) was remotely loaded in NC-EVs via the pH gradient. We found that piceatannol-loaded NC-EVs dramatically alleviated acute lung inflammation/injury and sepsis induced by lipopolysaccharide (LPS). Our studies reveal that nitrogen cavitation is a novel approach to efficiently generate EVs from any cell type and could be exploited for personalized nanomedicine. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Enterovirus type 71 neutralizing antibodies in the serum of macaque monkeys immunized with EV71 virus-like particles.

    Science.gov (United States)

    Lin, Yu-Li; Yu, Chun-I; Hu, Yu-Chen; Tsai, Tze-Jiun; Kuo, Yin-Chieh; Chi, Wei-Kuang; Lin, Ae-Ning; Chiang, Bor-Luen

    2012-02-08

    Enterovirus type 71 (EV71) is a virulent form of enteroviruses causing hospitalizations for children less than three years of age. Currently there are no anti-viral therapies or vaccines available for EV71. Due to the high risk of poliomyelitis-like paralysis and fatal encephalitis, an effective vaccine to EV71 could potentially prevent virus-induced morbidity and mortality. In this study, we first tested a potential EV71 vaccine candidate based on virus-like particles (VLP). We vaccinated macaque monkeys to validate the immunogenicity of the VLP vaccine to EV71. We detected the VLP or EV71-specific antibodies, neutralization titers, ELISPOT, and T cell response to find their immune responses to EV71. When the VLP vaccine adjuvanted with alum was given to macaque monkeys, these monkeys developed both specific humoral and cellular immune responses to EV71. Despite lower neutralizing antibodies to EV71 were found in sera of VLP-immunized monkeys than monkeys vaccinated with inactivated EV71, VLP-based vaccine generated a memory immune response to EV71. Hence, VLP-based EV71 vaccine is a potential vaccine against EV71 infection. Copyright © 2012 Elsevier Ltd. All rights reserved.

  2. Introduction of a practice-oriented `instruction environment` as part of the environmental management system at EVS; Einfuehrung einer praxisbezogenen Dienstanweisung Umweltschutz als Bestandteil des Umweltmanagementsystems bei EVS

    Energy Technology Data Exchange (ETDEWEB)

    Beising, R.; Kaeser, M.

    1997-12-31

    An guide for environmental protection in the electricity supply enterprise EVS has been developed to represent the pollution laws (regulations) practice-oriented. This `instruction environment` is described and some short examples in some fields of interest (e.g. storage of hazardous materials, water pollution abatement, gasoline service stations, waste management) are given. (SR)

  3. 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.

  4. Thermal Degradation and Isomerization of β-Carotene in Oil-in-Water Nanoemulsions Supplemented with Natural Antioxidants.

    Science.gov (United States)

    Yi, Jiang; Fan, Yuting; Yokoyama, Wallace; Zhang, Yuzhu; Zhao, Liqing

    2016-03-09

    The goal of this study was to see the impact on the retention and isomerization of encapsulated β-carotene (BC) in nanoemulsions fortified with natural antioxidants (α-tocopherol (AT) and l-ascorbic acid (AA)). The physical stability of nanoemulsion, oxidative stability, and isomerization of all-trans-β-carotene (BC) in oil-in-water (O/W) nanoemulsions were determined in the presence or absence of natural antioxidants at 25 and 50 °C at certain intervals of time by high-performance liquid chromatography (HPLC). Sodium caseinate was used as the emulsifier, and corn oil (CO) was more protective than medium-chain triglycerides (MCT) and used for isomerization studies. Mean diameters of control (without antioxidants) and AA- and AT-fortified particles were similar. Mean particle diameter of nanoemulsions increased from 10 to 25 nm at 25 °C and from 40 to 50 nm at 50 °C during 30 days of storage. The isomerization from all-trans-BC to cis-BC isomers was inhibited by antioxidants. The isomerization rates were in the following order: 13-cis-BC > 15-cis-BC > 9-cis-BC. AT had better antioxidant activities than AA in inhibiting BC degradation in O/W nanoemulsions. The results indicated that BC encapsulated in nanoemulsions supplemented with antioxidants could significantly improve BC's chemical stability.

  5. EV71 vaccines: a first step towards multivalent hand, foot and mouth disease vaccines.

    Science.gov (United States)

    Klein, Michel H

    2015-03-01

    Enterovirus A infections are the primary cause of hand, foot and mouth disease in infants and young children. Enterovirus 71 (EV71) and coxsackievirus A16 have emerged as neurotropic viruses responsible for severe neurological complications and a serious public health threat across the Asia-Pacific region. Formalin-inactivated EV71 vaccines have elicited protection against EV71 but not against coxsackievirus A16 infections. The development of a bivalent formalin-inactivated EV71/FI coxsackievirus A16 vaccine should be the next step towards that of multivalent hand, foot and mouth disease vaccines which should ultimately include other prevalent pathogenic coxsackieviruses and echovirus 30. This editorial summarizes the major challenges faced by the development of hand, foot and mouth disease vaccines.

  6. 77 FR 51983 - Availability of Department of Energy EV Everywhere Grand Challenge Initial Framing Document and...

    Science.gov (United States)

    2012-08-28

    ...-powered vehicles within the next 10 years. President Obama announced the EV Everywhere Challenge on March... Electric Vehicle Leadership. How can DOE activities best support leadership in plug-in electric vehicle...

  7. Importance of Membrane Structural Integrity for RPE65 Retinoid Isomerization Activity

    Energy Technology Data Exchange (ETDEWEB)

    Golczak, Marcin; Kiser, Philip D.; Lodowski, David T.; Maeda, Akiko; Palczewski, Krzysztof (Case Western)

    2010-04-05

    Regeneration of visual chromophore in the vertebrate visual cycle involves the retinal pigment epithelium-specific protein RPE65, the key enzyme catalyzing the cleavage and isomerization of all-trans-retinyl fatty acid esters to 11-cis-retinol. Although RPE65 has no predicted membrane spanning domains, this protein predominantly associates with microsomal fractions isolated from bovine retinal pigment epithelium (RPE). We have re-examined the nature of RPE65 interactions with native microsomal membranes by using extraction and phase separation experiments. We observe that hydrophobic interactions are the dominant forces that promote RPE65 association with these membranes. These results are consistent with the crystallographic model of RPE65, which features a large lipophilic surface that surrounds the entrance to the catalytic site of this enzyme and likely interacts with the hydrophobic core of the endoplasmic reticulum membrane. Moreover, we report a critical role for phospholipid membranes in preserving the retinoid isomerization activity and physical properties of RPE65. Isomerase activity measured in bovine RPE was highly sensitive to phospholipase A{sup 2} treatment, but the observed decline in 11-cis-retinol production did not directly reflect inhibition by products of lipid hydrolysis. Instead, a direct correlation between the kinetics of phospholipid hydrolysis and retinoid isomerization suggests that the lipid membrane structure is critical for RPE65 enzymatic activity. We also provide evidence that RPE65 operates in a multiprotein complex with retinol dehydrogenase 5 and retinal G protein-coupled receptor in RPE microsomes. Modifications in the phospholipid environment affecting interactions with these protein components may be responsible for the alterations in retinoid metabolism observed in phospholipid-depleted RPE microsomes. Thus, our results indicate that the enzymatic activity of native RPE65 strongly depends on its membrane binding and

  8. 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 ...

  9. EV Charging Analysis Based on the National Travel Surveys of the Nordic Area

    OpenAIRE

    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 an...

  10. 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.

  11. Use analysis and systemic modeling of a new generation EV for autonomy optimization

    OpenAIRE

    TRIGUI, Rochdi; DEROLLEPOT, Romain; KRECZANIC, Paul; POUPON, Lénaïc; PHILIPPS-BERTIN, Chrystèle

    2014-01-01

    Li-ion based Electric Vehicles (EVs) are able to achieve good dynamic performance with enhanced autonomy range compared to last EVs generations. However, the announced range is often subject to important fluctuations according to the vehicle use and to the weather conditions. In order to improve the vehicle autonomy and ensure a better stability of the performance the vehicle use could be optimized. An advanced optimization requires a deep knowledge of the vehicle behavior and of the consumpt...

  12. Gas-phase nuclear magnetic resonance study of internal isomerization in perfluoro-2-azapropene: Comparison of experimental and computed kinetic parameters

    Science.gov (United States)

    LeMaster, Clifford; LeMaster, Carole; Greenwood, Benjamin; Butler, Drew; Cassidy, Keanan; Prince, Jonathan

    2017-10-01

    Rate constants obtained from total line-shape analysis of five temperature-dependent gas-phase NMR spectra of perfluoroazapropene yielded the kinetic barrier to internal isomerization: G‡298 = 66.9 (0.4) kJ mol-1. Five temperature-dependent liquid spectra (5 mol% in CDCl3) yielded G‡298 = 67.4 (0.8) kJ mol-1. Ab initio calculations performed using the compound methods Complete Basis Set (CBS-4M, QB3, APNO), Gaussian (G1-4), and Weizmann (W1U, WBD) gave results consistent with a transition state corresponding to nitrogen inversion. The values that best matched the experimental G‡298 value for each compound method were 63.9 kJ mol-1 (CBS-APNO), 66.1 kJ mol-1 (G2), and 65.6 kJ mol-1 (W1BD).

  13. The phytohormone precursor OPDA is isomerized in the insect gut by a single, specific glutathione transferase

    OpenAIRE

    Dąbrowska, Paulina; Freitak, Dalial; Vogel, Heiko; Heckel, David G.; Boland, Wilhelm

    2009-01-01

    Oxylipins play important roles in stress signaling in plants. The compound 12-oxophytodienoic acid (cis-OPDA) is an early biosynthetic precursor of jasmonic acid (JA), the key phytohormone orchestrating the plant anti-herbivore defense. When consumed by feeding Lepidopteran larvae, plant-derived cis-OPDA suffers rapid isomerization to iso-OPDA in the midgut and is excreted in the frass. Unlike OPDA epimerization (yielding trans-OPDA), the formation of iso-OPDA is enzyme-dependent, and is cata...

  14. 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.

  15. Interaction between Promoters Mn/Fe, Sulfate, and Zirconia in Accordingly Composed Alkane Isomerization Catalysts

    OpenAIRE

    Jentoft, F.; Hahn, A.; Wild, U.; Klose, B.; Jentoft, R.; Ressler, T.; Schlögl, R.; Häßner, C.; Köhler, K.

    2004-01-01

    Interaction between Promoters Mn/Fe, Sulfate, and Zirconia in Accordingly Composed Alkane Isomerization Catalysts F.C. Jentoft, A. Hahn, U. Wild, B.S. Klose, R.E. Jentoft, T. Ressler, R. Schlögl Department of Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany C. Häßner, K. Köhler Anorganisch-Chemisches Institut, Technische Universität München, Lichtenbergstr. 4, 85747 Garching, Germany Introduction Promotion of sulfated zirconia (SZ) with man...

  16. Interaction between Promoters Mn/Fe, Sulfate, and Zirconia in Accordingly Composed Alkane Isomerization Catalysts

    OpenAIRE

    Jentoft, Friederike C.; Hahn, Alexander; Wild, Ute; Klose, Barbara S.; Jentoft, Rolf E.; Ressler, Thorsten; Schlögl, Robert; Häßner, Christian; Köhler, Klaus

    2004-01-01

    Interaction between Promoters Mn/Fe, Sulfate, and Zirconia in Accordingly Composed Alkane Isomerization Catalysts F.C. Jentoft, A. Hahn, U. Wild, B.S. Klose, R.E. Jentoft, T. Ressler, R. Schlögl Department of Inorganic Chemistry, Fritz Haber Institute, Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany C. Häßner, K. Köhler Anorganisch-Chemisches Institut, Technische Universität München, Lichtenbergstr. 4, 85747 Garching, Germany Introduction Promotion of sulfated zi...

  17. Biocatalytic enantiomeric resolution of l-menthol from an eight isomeric menthol mixture

    CSIR Research Space (South Africa)

    Brady, D

    2012-03-01

    Full Text Available resolution of l-menthol from an eight isomeric menthol mixture D Brady*, S Reddy, B Mboniswa, L H Steenkamp, A Rousseau, C J Parkinson, J Chaplin, R K Mitra, T Moutlana, SF Marais and NS Gardiner. CSIR Biosciences. Private Bag X2 Modderfontein.... Chaplin JA, Gardiner NS, Mitra RK, Parkinson CJ, Portwig M, Dickson MD, Brady D, Marais SF, Reddy S, (2002) Process for preparing (-)-menthol and similar compounds, US Pat 7026144. 4. Dudas J, Hanika J (2009). Design, scale up and safe piloting...

  18. Methylene Blue Sensitized Photodechlorination of Isomeric Mono- and Dichloroanilines via Molecular Complex Formation Mechanism

    Directory of Open Access Journals (Sweden)

    U. C. Pande

    2011-01-01

    Full Text Available The photosensitized dechlorination of isomeric mono- and dichloroanilines has been studied using methylene blue as photosensitizer in alkaline medium. The dechlorination products have been identified and formation of molecular complex between aniline and methylene blue has been observed. The effects of the pH, concentration of the sensitizer, concentration of the substrate, the intensity of the light and the temperature on the rate of the reaction have been studied. The quantum efficiency of the photodechlorination has been evaluated. The mechanism of the photodechlorination has been suggested.

  19. 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.

  20. Fluorescence excitation spectrum and solvent-assisted conformational isomerization (SACI) of jet-cooled acetaminophen

    Science.gov (United States)

    Sohn, Woon Yong; Kang, Jeong Seok; Lee, So Young; Kang, Hyuk

    2013-08-01

    Fluorescence excitation spectrum of jet-cooled acetaminophen was obtained. When AAP was expanded with a buffer gas containing 0.3-1.1% of water, absorption peaks of the less stable trans conformer was significantly reduced by solvent-assisted conformational isomerization (SACI), which is confirmed by a separately measured UV-UV hole burning spectroscopy. It is also confirmed by quantum mechanical calculation and RRKM calculation that it is energetically and kinetically possible to induce SACI in AAP with water. The SACI mechanism suggests a possible pathway that acetaminophen can adopt an active conformation in vivo, which is need for molecular recognition and drug activity.

  1. 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).

  2. 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.

  3. 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.

  4. Poisoning and regeneration of Pt-Pd/WO3-ZrO2 short paraffin isomerization catalysts

    Directory of Open Access Journals (Sweden)

    Sergio Canavese

    2010-01-01

    Full Text Available WO3-ZrO2 catalysts promoted with Pt and Pd were tested as paraffin isomerization catalysts using n-hexane as model compound. Sulfur and amine poisoning and regeneration tests were used to assess the impact of the addition of Pt and Pd on the deactivation resistance and regenerability. Pt and PtPd catalysts were the most active for n-hexane isomerization. The low activity of the Pd catalyst was attributed to poor Pd metal properties when supported over WO3-ZrO2 and to a decrease of the number of BrQnsted acid sites. PtPd was the only catalyst capable of full regeneration after S poisoning. Amine poisoning completely supressed the isomerization activity and the original activity could only be restored by calcination and reduction.

  5. Poisoning and regeneration of Pt-Pd/WO{sub 3}-ZrO{sub 2} short paraffin isomerization catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Canavese, Sergio; Finelli, Zunilda; Busto, Mariana; Benitez, Viviana M.; Vera, Carlos R.; Yori, Juan C., E-mail: jyori@fiq.unl.edu.a [Universidad Nacional del Litoral (UNL), Santa Fe (Argentina). Inst. de Investigaciones en Catalisis y Petroquimica

    2010-07-01

    WO{sub 3}-ZrO{sub 2} catalysts promoted with Pt and Pd were tested as paraffin isomerization catalysts using n-hexane as model compound. Sulfur and amine poisoning and regeneration tests were used to assess the impact of the addition of Pt and Pd on the deactivation resistance and regenerability. Pt and Pt Pd catalysts were the most active for n-hexane isomerization. The low activity of the Pd catalyst was attributed to poor Pd metal properties when supported over WO{sub 3}-ZrO{sub 2} and to a decrease of the number of Broensted acid sites. Pt Pd was the only catalyst capable of full regeneration after S poisoning. Amine poisoning completely suppressed the isomerization activity and the original activity could only be restored by calcination and reduction. (author)

  6. 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.

  7. The effect of dye-polymer interactions on the kinetics of the isomerization of 4-dimethylaminoazobenzene and mercury dithizonate

    Directory of Open Access Journals (Sweden)

    Yamaki Sahori B.

    2004-01-01

    Full Text Available Thermal and photo-isomerization reactions of mercury dithizonate and 4-dimethylaminoazobenzene were studied in solutions and in polymer matrices. We used exponential functions to calculate the rate constants for both processes. The kinetic behavior was well described by mono-exponential functions for these dyes dissolved in solvents, although bi-exponential functions are required when these dyes are dissolved in polymers. The rate constants are strongly influenced by dye/solvent and dye/polymer interactions, as well as by the aging processes of the polymer matrix. In general, the reaction is faster in more polar mediums, solvents or polymer matrices, since stabilization of different tautomers takes place. We also showed that larger molecules isomerize slowly and slower isomerization has also been observed for annealed samples. Both results are attributed to the importance of free-volumes in polymeric matrices.

  8. A Stochastic Bi-Level Scheduling Approach for the Participation of EV Aggregators in Competitive Electricity Markets

    DEFF Research Database (Denmark)

    Rashidizaheh-Kermani, Homa; Vahedipour-Dahraie, Mostafa; Najafi, Hamid Reza

    2017-01-01

    This paper proposes a stochastic bi-level decision-making model for an electric vehicle (EV) aggregator in a competitive environment. In this approach, the EV aggregator decides to participate in day-ahead (DA) and balancing markets and provides energy price offers to the EV owners in order...

  9. 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.

  10. SN 1987A as a possible source of cosmic rays up to energy 1018 eV by Yakutsk EAS array data

    Science.gov (United States)

    Glushkov, Alexander V.; Ksenofontov, Leonid T.; Pravdin, Mikhail I.

    2013-02-01

    Yakutsk extensive air shower array experiment is the only one which is in operation since 1974, it has the best exposure around 1018eV. It is believed that the balk of cosmic rays up to ~1017eV originated in supernova remnants [1]. Under certain conditions they can accelerate cosmic rays up to ~1018eV or even higher [2]. However, there is a lack of an undoubted observational evidence for such idea. Here we show that Yakutsk experiment probably has observed cosmic rays from SN 1987A. We found that before 1996 the intensity of cosmic rays in energy range 1017-1018eV fluctuate near some average value, then it start to increase. The increase of intensity total 45±5%. It is also accompanied by significant changes in cosmic ray composition; it became heavier - iron dominated. In the last 3-4 years it is a trend to return to the initial state. This peculiarities can be explained by the appearance of SN 1987A. If so, then our results demonstrate that supernova remnants can indeed accelerate cosmic rays up to ~1018e V. This is an important step in understanding the cosmic ray origin problem and reveal the great importance of long-term and multicomponent observations of ultra-high energy cosmic rays.

  11. 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

  12. Reaction reversibility in α-pinene thermal isomerization: improving the kinetic model

    Science.gov (United States)

    Chibiryaev, A. M.; Ermakova, A.; Kozhevnikov, I. V.

    2011-08-01

    Revision of the experimental data on α-pinene thermal isomerization attained in supercritical ethanol allowed us to expand the reaction scheme, which includes now six main products and eleven reversible reactions. The equilibrium constants of every reaction ( K T, j and K Φ, j) were calculated to allow for reversibility of reactions. The thermochemical data of the pure compounds required to calculate constants K T, j and K Φ, j (standard enthalpy and entropy of formation Δf H° (298.15 K), Δf S° (298.15 K), heat capacity C p ( T), critical parameters T cr and p cr, boiling point T b, and the acentric factor ω) were preliminary estimated using the empirical Joback and Benson methods. A kinetic model based on the new expanded scheme of reversible reactions was successfully identified and its kinetic parameters k j (600 K) and E j were determined. Detailed examination of the new kinetic model allowed us to refine the generally accepted mechanism of α-pinene thermal isomerization and to distinguish additional features of the multistep process.

  13. Impact of retinal disease-associated RPE65 mutations on retinoid isomerization.

    Science.gov (United States)

    Bereta, Grzegorz; Kiser, Philip D; Golczak, Marcin; Sun, Wenyu; Heon, Elise; Saperstein, David A; Palczewski, Krzysztof

    2008-09-16

    Pathogenic mutations in the RPE65 gene are associated with a spectrum of congenital blinding diseases in humans. We evaluated changes in the promoter region, coding regions, and exon/intron junctions of the RPE65 gene by direct sequencing of DNA from 36 patients affected with Leber's congenital amaurosis (LCA), 62 with autosomal recessive retinitis pigmentosa (arRP), and 21 with autosomal dominant/recessive cone-rod dystrophies (CORD). Fifteen different variants were found, of which 6 were novel. Interesting was Gly244Val, a novel mutation close to the catalytic center. To assess the role of this mutation in RPE65 inactivation, we performed detailed biochemical studies of the mutant along with a structural analysis of the 244 amino acid position with respect to amino acids known to be important for RPE65-dependent retinoid isomerization. Bicistronic plasmid expression of the RPE65 Gly244Val mutant and enhanced green fluorescent protein (EGFP) allowed us to document both its instability in cultured cells by cell sorting and immunoblotting methodology and its loss of RPE65-dependent isomerase activity by enzymatic assays. Further insights into the structural requirements for retinoid isomerization by RPE65 were obtained by using the carotenoid oxygenase (ACO) from Synechocystis (PDB accession code 2BIW ) as a structural template to construct a RPE65 homology model and locating all known inactivating mutations including Gly244Val within this model.

  14. 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)

  15. Earth sciences within the project Ev-K2-CNR: Geodesy and geophysics; Le scienze della Terra nel progetto Ev-K2-CNR: Geodesia e geofisica

    Energy Technology Data Exchange (ETDEWEB)

    Poretti, Giorgio [Trieste, Univ. (Italy). Dipt. di Scienze Matematiche

    1997-05-01

    Earth Sciences started the Ev-K2-CNR project in 1987 with the comparison between the heights of Mt. Everest and K2. Several gravimetric campaigns followed in the most difficult areas of the Himalayas. In 1991 a GPS network was established in Nepal for the determination of the Earth crust movements in the area. In 1992 a precise measurement of mount Everest was performed with classical and satellite technologies. Mount K2 was remeasured in Summer 1996.

  16. Cost-Benefit Analysis of a Novel DC Fast-Charging Station with a Local Battery Storage for EVs

    DEFF Research Database (Denmark)

    Gjelaj, Marjan; Træholt, Chresten; Hashemi Toghroljerdi, Seyedmostafa

    2017-01-01

    The increasing penetration of Electric Vehicles (EVs) and their charging systems is representing new highpower consumption loads for the distribution system operators (DSOs). To solve the problem of the EV range in terms of driving kilometers, the car manufacturers have invested resources on new EV...... models by increasing the size of the batteries. To satisfy EV load demand of the new EV models in urban areas the public DC Fast-Charging Station (DCFCS) is indispensable to recharge EVs rapidly. The introduction of the Battery Energy Storage within the DCFCSs is considered in this paper an alternative...... solution to reduce the operational costs of the charging stations as well as the ability to mitigate negative impacts during the congestion on the power grids. An accurate description of the DCFCS and its design system, which is able to decouple the peak load demand caused by EVs on the main grid...

  17. 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.

  18. Development of Lattice-Matched 1.7 eV GalnAsP Solar Cells Grown on GaAs by MOVPE

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Nikhil; Oshima, Ryuji; France, Ryan; Geisz, John; Norman, Andrew; Dippo, Pat; Levi, Dean; Young, Michelle; Olavarria, Waldo; Steiner, Myles A.

    2016-11-21

    To advance the state-of-the-art in III-V multijunction solar cells towards high concentration efficiencies approaching 50%, development of a high-quality ~1.7 eV second junction solar cell is of key interest for integration in five or more junction devices. Quaternary GalnAsP solar cells grown lattice-matched on GaAs allows bandgap tunability in the range from 1.42 to 1.92 eV and offers an attractive Al-free alternative to conventional AlGaAs solar cells. In this work, we investigate the role of growth temperature towards understanding the optimal growth window for realizing high-quality GalnAsP alloys. We demonstrate bandgap tunability from 1.6 to 1.8 eV in GalnAsP alloys for compositions close to the miscibility gap, while still maintaining lattice-matched condition to GaAs. We perform an in-depth investigation to understand the impact of varying base thickness and doping concentration on the carrier collection and performance of these 1.7 eV GalnAsP solar cells. The photo-response of these cells is found to be very sensitive to p-type zinc dopant incorporation in the base layer. We demonstrate prototype 1.7 eV GalnAsP solar cell designs that leverage enhanced depletion width as an effective method to overcome this issue and boost long-wavelength carrier collection. Short-circuit current density (JSC) measured in field-aided devices were as high as 17.25 m A/cm2. The best GalnAsP solar cell in this study achieved an efficiency of 17.2% with a JSC of 17 m A/cm2 and a fill-factor of 86.4%. The corresponding open-circuit voltage (VOC) 1.7 eV measured on this cell represents the highest Voc reported for a 1.7 eV GalnAsP solar cell. These initial cell results are encouraging and highlight the potential of Al-free GalnAsP solar cells for integration in the next generation of III-V multijunction solar cells.

  19. 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.

  20. Ring-shift isomerization of sym-octahydrophenanthrene into sym-octahydroanthracene. Effects of zeolite catalysts and equilibrium compositions

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Wei-Chuan; Song, Chunshan [Fuel Science Program, The Pennsylvania State University, University Park, PA (United States); Van Duin, Adri [Laboratory for Organic Chemistry and Catalysis, Delft University and Technology, Delft (Netherlands); De Leeuw, Jan W. [Division of Marine Biogeochemistry, Netherlands Institute for Sea Research NIOZ, Den Burg (Netherlands)

    1996-09-05

    The effects of zeolite catalysts and reaction conditions on the ring-shift isomerization of sym-OHP into sym-OHA were studied through experiments at 200-300C under an initial pressure of 0.79 MPa N{sub 2} or H{sub 2}. Eight catalysts were examined, including three hydrogen mordenites, two noble metal loaded mordenites, and three Y-zeolites. Among the three mordenites, the catalyst with lower acidity (HML8) displayed the best selectivity to sym-OHA but the lowest activity. Among the three Y-zeolites, best selectivity to sym-OHA was achieved with NiHY, which has lower acidity and lower content of stronger acid sites. The activity for sym-OHP conversion is: Pd/HM30A>Pt/HM30A>HY{approx}LaHY>HM20A>HM30A>HML8>NiHY. The selectivity to sym-OHA decreases almost linearly with increasing conversion beyond the pseudo-equilibrium stage (about 50% conversion). The desirable condition over HML8 is 250C for 0.5 h. The other catalysts with higher acidity (HM20A, HM30A, and HY) are promising catalysts at 200C. Molecular mechanics calculations were performed to establish the upper limit of the catalytic conversion. The calculations and experimental results indicate that reaction temperature has a moderate effect on the equilibrium yield of sym-OHA, whose formation is favored at lower temperature. However, the experimentally determined equilibrium ratios of sym-OHA to sym-OHP (close to 1.3) are lower than the calculated values (2-2.6). The occurrence of simultaneous side reactions probably contributes to the shift of the equilibrium state of sym-OHA and sym-OHP

  1. Trapping of eV deuterium ions by niobium at glancing incidence

    Energy Technology Data Exchange (ETDEWEB)

    Kurnaev, V.A. E-mail: kurnaev@plasma.mephi.ru; Golubeva, A.V.; Evanov, A.A.; Levchuk, D.V.; Pisarev, A.A.; Trifonov, N.N

    2001-03-01

    Trapping of low energy deuterium ions is investigated at inclined ArD{sup +} bombardment of Nb target. The trapping coefficient {eta}, which is found from the thermal desorption spectra after implantation, is measured for the energy range of 5-120 eV per deuteron at 60 deg. angle of incidence. The value of {eta} measured for target cleaned with Ar bombardment and temperature treatment decreases with energy from {eta}{approx}0.3 at the primary energy E{sub 0}=120 eV to {eta}{approx}0.15 at about E{sub 0}=5 eV. Computer simulations based on the binary collision approximation and performed with taking into account the real target micro relief measured with STM agree with the experimental data rather well.

  2. 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.

  3. Isomerization of all-(E)-Retinoic Acid Mediated by Carbodiimide Activation - Synthesis of ATRA Ether Lipid Conjugates

    DEFF Research Database (Denmark)

    Christensen, Mikkel Stochkendahl; Pedersen, Palle Jacob; Andresen, Thomas Lars

    2010-01-01

    Treatment of the lysolipid 1-O-hexadecyl-sn-phosphatidylcholine with all-(E)-retinoic acid, DCC and DMAP resulted in poor acylation and caused (Z)/(E) isomerization of the alpha-beta double bond. In the presence of a proton source, the carbodiimide-activated all-(E)-retinoic acid undergoes fast...... to phosphatidylcholine and phosphatidylglycerol etherlipids....

  4. A fluorescent turn-on probe for bisulfite based on hydrogen bond-inhibited C=N isomerization mechanism.

    Science.gov (United States)

    Sun, Yuan-Qiang; Wang, Pi; Liu, Jing; Zhang, Jingyu; Guo, Wei

    2012-08-07

    A fluorescence turn-on probe for bisulfite has been developed by taking advantage of the specific reaction of bisulfite and aldehyde in combination with the hydrogen bond inhibited C=N isomerization mechanism. The practical value of this selective and sensitive fluorescent probe was confirmed by its application to detection of bisulfite in granulated sugar.

  5. 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.

  6. Trans Isomeric fatty acids are inversely related to the availability of long-chain PUFAs in the perinatal period

    NARCIS (Netherlands)

    T. Decsi (Tamas); G. Boehm (Günther)

    2013-01-01

    textabstractWe summarize data on the potential interaction of trans isomeric fatty acids [trans fatty acids (TFAs)] with the availability of longchain polyunsaturated fatty acids (LC-PUFAs) in the perinatal period. Today, TFA intakes in pregnant and lactating women can be estimated to be ∼1% of

  7. 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

  8. 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

    -centric smart charging approach to be more grid-centric, it suddenly becomes important to know not just when- and how much the vehicles charge, but also where in the grid they plug in. Since one of the main goals of EV-grid studies is to find the saturation point, it is equally important that the simulation...... 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...

  9. Evaluation and Validation (E&V) Team Public Report. Volume 2.

    Science.gov (United States)

    1985-11-30

    digits beginning in "DEC-83" and continuing at three month intervals. A hardcopy of the minutes will also be incorporated in the annual E&V Team...letters, YEAR being two digits , beginning in "DEC-83" and continuing at three month intervals. Minutes of the EVALUATION & Validation (E&V) MEETING Date I...CPU’s), 262 terminals (with 132 more on order), and 160 bus interface units. The SPS also includes two IDM 500 Data Base Machines, 6 Imagen laser

  10. Search for new Physics with the π → ev Decay

    Directory of Open Access Journals (Sweden)

    Doria Luca

    2014-03-01

    Full Text Available In the Standard Model, lepton universality refers to the identical electroweak gauge interactions among charged leptons. The measurement of the ratio Re/μ  =  Γ(π→ evΓ(π→μv${R_{e/\\mu }}\\,\\, = \\,\\,{{\\Gamma (\\pi \\to \\,ev} \\over {\\Gamma (\\pi \\to \\mu v}}$ is one of the most stringent tests of lepton universality between the first two generations. The TRIUMF PIENU experiment aims at the most precise test of universality measuring Re/μ${R_{e/\\mu }}$ with 0.1% precision. The measurement will provide improved constraints to physics beyond the SM or uncover new scenarios if a disagreement is found.

  11. UPORABA LEGO MINDSTORMS EV3 IN PROGRAMSKEGA JEZIKA LEJOS ZA ROBOTSKO ROKO

    OpenAIRE

    Brglez, Marko

    2016-01-01

    Diplomska naloga obravnava praktični primer uporabe paketa Lego Mindstroms EV3 ob uporabi programskega jezika LeJOS za izdelavo rabotske roke tipa SCARA, ki samostojno izriše grafično vsebino na papir. Za izdelavo roborske roke so uporabljeni konstrukcijski elementi paketa Lego Mindstroms. Krmiljenje robotske roke poteka preko programa, ki teče na krmilni enoti EV3 in je spisan v programskem jeziku LeJOS. Lik, ki ga robot izriše je pripravljen v enem izmed programskih paketov, ki omogočajo pr...

  12. Impact Study of Electric Vehicle (EV) Integration on Medium Voltage (MV) Grids

    DEFF Research Database (Denmark)

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

    2011-01-01

    The impact study of electric vehicle (EV) grid integration on medium voltage (MV) grids was carried out to quantify the power component loading and voltage profile change in MV grids due to the extra demands from the EV charging. Three charging scenarios, dumb charging, time charging and fleet...... operator based charging, were considered in the impact study to assess the impacts of different charging options. In the mean time, different charging power levels were included in the impact study as well. A MV grid from the Bornholm power system was used to implement the case studies....

  13. KOMUNIKACIJA IN ZADOVOLJSTVO STARŠEV Z VRTCI OBČINE ŽALEC

    OpenAIRE

    Špacapan, Boštjan

    2013-01-01

    V diplomskem delu s področja organizacije predšolske vzgoje smo ugotavljali, v kakšni povezanosti sta komunikacija in zadovoljstvo pri starših otrok. V teoretičnem delu so povzeti temeljni elementi komunikacije. V tem delu je prav tako obravnavana komunikacija v procesu predšolske vzgoje. V raziskovalnem delu smo ugotavljali ali obstaja povezanost med zadovoljstvom staršev s komunikacijo strokovnih delavcev in prisotnostjo staršev na govorilnih urah in rednih roditeljskih sestankih. Ugotavlja...

  14. Genetic variations of live attenuated plague vaccine strains (Yersinia pestis EV76 lineage) during laboratory passages in different countries.

    Science.gov (United States)

    Cui, Yujun; Yang, Xianwei; Xiao, Xiao; Anisimov, Andrey P; Li, Dongfang; Yan, Yanfeng; Zhou, Dongsheng; Rajerison, Minoarisoa; Carniel, Elisabeth; Achtman, Mark; Yang, Ruifu; Song, Yajun

    2014-08-01

    Plague, one of the most devastating infectious diseases in human history, is caused by the bacterial species Yersinia pestis. A live attenuated Y. pestis strain (EV76) has been widely used as a plague vaccine in various countries around the world. Here we compared the whole genome sequence of an EV76 strain used in China (EV76-CN) with the genomes of Y. pestis wild isolates to identify genetic variations specific to the EV76 lineage. We identified 6 SNPs and 6 Indels (insertions and deletions) differentiating EV76-CN from its counterparts. Then, we screened these polymorphic sites in 28 other strains of EV76 lineage that were stored in different countries. Based on the profiles of SNPs and Indels, we reconstructed the parsimonious dissemination history of EV76 lineage. This analysis revealed that there have been at least three independent imports of EV76 strains into China. Additionally, we observed that the pyrE gene is a mutation hotspot in EV76 lineages. The fine comparison results based on whole genome sequence in this study provide better understanding of the effects of laboratory passages on the accumulation of genetic polymorphisms in plague vaccine strains. These variations identified here will also be helpful in discriminating different EV76 derivatives. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Measurement of isomeric ratios in sup 2 sup 3 sup 2 Th photofission products

    CERN Document Server

    Besshejko, O A; Zheltonozhskij, V A; Strilchuk, N V

    2002-01-01

    Measurement of activity of sup 2 sup 3 sup 2 Th photofission products with T sub 1 sub / sub 2 1 min / 10 h has been carried out using g-spectroscopy technique. The targets were irradiated by Bremsstrahlung gamma-quanta from Mevatron KD2 linear electron accelerator with boundary energy of 23 MeV. Using obtained data about photofission fragments yield isomeric ratios for sup 1 sup 1 7In, sup 1 sup 3 sup 0 Sb, sup 1 sup 3 sup 3 Te, sup 1 sup 3 sup 4 sup g I and sup 1 sup 3 sup 5 Xe nuclei have been measured for the first time at boundary energy of 23 MeV. For the first time mean angular momenta for mentioned above nuclei at sup 2 sup 3 sup 2 Th photofission have been determined.

  16. Thermodynamic properties of isomeric pentanols under elevated pressures determined by the acoustic method

    Science.gov (United States)

    Dzida, M.

    2008-02-01

    Three isomeric pentanols were studied: pentan-1-ol, 2-methyl-1-buta- nol, and 2-methyl-2-butanol. Isobaric heat capacities and internal pressure at pressures up to 100 MPa and temperatures ranging from 293 K to 318 K were determined by the acoustic method. In calculations the measured speeds of sound as function of temperature and pressure together with densities as function of temperature under atmospheric pressure and the literature isobaric heat capacities for the atmospheric pressure were used. To this end, the method, based on the suggestion of Davis and Gordon [1] was applied. The results obtained show that the effect of pressure on and the values of isobaric heat capacity and internal presure of 2-methyl-2-butanol is higher than that of pentan-1-ol, 2-methyl-1-butanol over the whole pressure range. That facilitates telling 2-methyl-2-butanol from pentan-1-ol and 2-methyl-1-butanol.

  17. Mechanistic Study on Oxorhenium-Catalyzed Deoxydehydration and Allylic Alcohol Isomerization.

    Science.gov (United States)

    Wu, Di; Zhang, Yugen; Su, Haibin

    2016-05-20

    The reaction mechanism of 1,2×n-deoxydehydration (DODH; n=1, 2, 3 …) reactions with 1-butanol as a reductant in the presence of methyltrioxorhenium(VII) catalyst has been investigated by DFT. The reduced rhenium compound, methyloxodihydroxyrhenium(V), serves as the catalytically relevant species in both allylic alcohol isomerization and subsequent DODH processes. Compared with three-step pathway A, involving [1,3]-transposition of allylic alcohols, direct two-step pathway B is an alternative option with lower activation barriers. The rate-limiting step of the DODH reaction is the first hydrogen transfer in methyltrioxorhenium(VII) reduction. Moreover, the increase in the distance between two hydroxyl groups in direct 1,2×n-DODH reactions for C4 and C6 diols results in a higher barrier height. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. The diene isomerization energies dataset: A difficult test for double-hybrid density functionals?

    Science.gov (United States)

    Wykes, M.; Pérez-Jiménez, A. J.; Adamo, C.; Sancho-García, J. C.

    2015-06-01

    We have systematically analyzed the performance of some representative double-hybrid density functionals (including PBE0-DH, PBE-QIDH, PBE0-2, XYG3, XYGJ-OS, and xDH-PBE0) for a recently introduced database of diene isomerization energies. Double-hybrid models outperform their corresponding hybrid forms (for example, PBE0-DH, PBE0-2, and PBE-QIDH are more accurate than PBE0) and the XYG3, XYGJ-OS, and xDH-PBE0 functionals perform excellently, providing root mean square deviation values within "calibration accuracy." XYGJ-OS and xDH-PBE0 also rival the best performing post-Hartree-Fock methods at a substantially lower cost.

  19. Unusual isomeric polyunsaturated fatty acids in liver phospholipids of rats fed hydrogenated oil.

    Science.gov (United States)

    Holman, R T; Pusch, F; Svingen, B; Dutton, H J

    1991-06-01

    Linoleic acid (18:2 omega 6) and linolenic acid (18:3 omega 3) are precursors of two series of essential fatty acids (EFA) formed by alternate desaturations and elongations. In EFA deficiency (EFAD), oleic acid (18:1 omega 9) and palmitoleic acid (16:1 omega 7) undergo the same reactions to form polyunsaturated fatty acids (PUFA) of other structures. Partially hydrogenated soybean oil (PHSO) contains isomeric 18:1 acids that can be converted to unusual isomers of 18:2 by liver microsomes. To test whether 18:2, 20:3, and 20:4 of unusual structure occur in phospholipids as a consequence of EFAD or ingestion of PHSO, rats were fed corn oil, an EFA-deficient diet, or PHSO to provide isomeric 18:1 acids. At 2.5 months the phospholipids were isolated from livers and converted to methyl esters, and the 18:2, 20:2, 20:3, and 20:4 fractions were isolated. The 18:2 and 20:2 fractions were ozonized, and, by using a computer solution of simultaneous equations, the structures and proportions of each isomer were calculated. The 20:3 and 20:4 fractions were analyzed by ozonolysis and capillary gas chromatography. When corn oil was fed, the major isomer in each group was 9,12-18:2, 11,14-20:2, 8,11,14-20:3, and 5,8,11,14-20:4. Patterns in EFAD- and PHSO-fed groups were more diverse, with large proportions of unusual isomers. Feeding EFA-deficient diet and PHSO induced measurable amounts of unusual PUFA at each step of the cascade, and these PUFA may compete in metabolism of normal PUFA and are substrates for oxidative formation of autacoids of unknown structures and function.

  20. 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.

  1. ev kukub põgeneja käest : [luuletused] / Helgi Muller

    Index Scriptorium Estoniae

    Muller, Helgi, 1932-1971

    2003-01-01

    Sisu: Kui minu tuppa ei kostaks ; Imelind ; Kodumaa ; Karikakar I ; "Taevas vaatab sind ..." ; Öö musta jõge pidi ; Põuavägud ; "Kas põletada ..." ; Pihud ; Hingetuisk ; "Nagu hüüd ..." ; Päev jälle kukub käest. Eluloolisi andmeid autori kohta lk. 192

  2. Cosmology based on f(R) gravity admits 1 eV sterile neutrinos.

    Science.gov (United States)

    Motohashi, Hayato; Starobinsky, Alexei A; Yokoyama, Jun'ichi

    2013-03-22

    It is shown that the tension between recent neutrino oscillation experiments, favoring sterile neutrinos with masses of the order of 1 eV, and cosmological data which impose stringent constraints on neutrino masses from the free streaming suppression of density fluctuations, can be resolved in models of the present accelerated expansion of the Universe based on f(R) gravity.

  3. On the Variation of Eta with Energy in the 100-1000 ev Region

    Science.gov (United States)

    Wigner, E. P.

    1949-11-01

    Fluctuations in the fission yield in the 100- to 1000-ev region led to an investigation of the influencing variables. Changes in fission width from level to level and higher angular momentum phenomena are seen as possible explanations. (D.E.B.)

  4. Variation Of The Effects Of Adopol EVS-9279X On The Emulsion ...

    African Journals Online (AJOL)

    Results indicate that properties, such as, surface tension, drying time and water absorption, which were initially lowered originally by Adopol EVS-9279X, especially at low formulation concentrations, showed further reductions when monitored for 8 weeks. At 7% w/w formulation, drying time was lowered from 33.5 min to ...

  5. Pärnule on iseseisvuspäev alati eriline / Väino Linde, Einar Kelder

    Index Scriptorium Estoniae

    Linde, Väino, 1959-

    2002-01-01

    Kui EV sünnipäevaks peetakse ametlikult 24. veebr. 1918, siis Pärnus kuulutati vabariik välja juba eelmise päeva õhtul omaaegse Endla teatri rõdult. Autor: Reformierakond. Parlamendisaadik (V. Linde)

  6. The EVS: a computerized decision support system for GPs in the Netherlands.

    NARCIS (Netherlands)

    Wolters, I.; Hoogen, H. van den; Bakker, D. de

    2003-01-01

    Background: In 1998 a project was started to introduce nationally a decision support system in general practice in the Netherlands, called EVS (electronic prescription support system). The system contains national guidelines developed by the Dutch Council of GPs (NHG) for approximately 80 diagnoses.

  7. What kind of charging infrastructure do Nissan Leaf drivers in The EV Project use?

    Energy Technology Data Exchange (ETDEWEB)

    Salisbury, Shawn [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-09-01

    This document will describe the charging behavior of Nissan Leaf battery electric vehicles that were enrolled in the EV Project. It will include aggregated data from several thousand vehicles regarding time-of-day, power level, and location of charging and driving events. This document is a white paper that will be published on the INL AVTA website.

  8. Reconstruction of 10(exp 20)ev Showers in EUSO and JEM EUSO

    Science.gov (United States)

    Andreev, V.; Adams, J.; Cline, D.

    2007-01-01

    We describe the procedure to reconstruct 10(exp 20) ev showers in Extreme Universe Space Observatory (EUSO). We show the angular and energy resolution is excellent. We now apply this to the newly proposed Japanese JEM-EUSO and will present results at the meeting.

  9. How many electric miles do Nissan Leafs and Chevrolet Volts in The EV Project travel?

    Energy Technology Data Exchange (ETDEWEB)

    John Smart

    2014-05-01

    This paper presents travel statistics and metrics describing the driving behavior of Nissan Leaf and Chevrolet Volt drivers in the EV Project. It specifically quantifies the distance each group of vehicles drives each month. This paper will be published to INL's external website and will be accessible by the general public.

  10. EV100 visuaalne identiteet: graafiline lihtsus ja sisemine paindlikkus / Ionel Lehari ; intervjueerinud Annela Laaneots

    Index Scriptorium Estoniae

    Lehari, Ionel, 1967-

    2016-01-01

    EAS-i juhtimisel käivitus 2015. a. Eesti brändi uuendusprogramm, Riigikantselei otsustas selle siduda EV100 ja EU eesistumise kommunikatsiooniga. Välja kuulutatud konkursi Eesti visuaalse identiteedi leidmiseks võitis Identity OÜ ideekavand. Intervjuu Identity loovjuhi Ionel Lehariga nende loodud võistlustööst

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

    Directory of Open Access Journals (Sweden)

    Guo Zhao

    2015-01-01

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

  12. Battery management systems (BMS) optimization for electric vehicles (EVs) in Malaysia

    Science.gov (United States)

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

    2017-04-01

    Following the UN Climate Change Conference 2009 in Copenhagen, Denmark, Malaysia seriously committed on "Go Green" campaign with the aim to reduce 40% GHG emission by the year 2020. Therefore, the National Green Technology Policy has been legalised in 2009 with transportation as one of its focused sectors, which include hybrid (HEVs), electric vehicles (EVs) and fuel cell vehicles with the purpose of to keep up with the worst scenario. While the number of registered cars has been increasing by 1 million yearly, the amount has doubled in the last two decades. Consequently, CO2 emission in Malaysia reaches up to 97.1% and will continue to increase mainly due to the activities in the transportation sector. Nevertheless, Malaysia is now moving towards on green car which battery-based EVs. This type of transportation mainly needs power performance optimization, which is controlled by the Batteries Management System (BMS). BMS is an essential module which leads to reliable power management, optimal power performance and safe vehicle that lead back for power optimization in EVs. Thus, this paper proposes power performance optimization for various setups of lithium-ion cathode with graphene anode using MATLAB/SIMULINK software for better management performance and extended EVs driving range.

  13. 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

    participants and the incomparability among repeated trials. Taking the customers’ willingness to buy EVs as an example, this paper extracts multi-layer correlation information from a limited number of questionnaires and builds a multi-agent model to match the probabilistic distributions of multi...

  14. Thermal Management of Battery Systems in EV and Smart Grid Application

    DEFF Research Database (Denmark)

    Khan, Mohammad Rezwan

    The principal outcome of the research is to deliver experimental and modelling framework targeted for both EV and next-generation smart grid application developer. The results of the research assist in providing a correct datasheet for a battery cell. It is a result of an experimental framework...

  15. EV and HP Scheduling with Network Constraints in the Nordic Region

    DEFF Research Database (Denmark)

    Liu, Zhaoxi; Wu, Qiuwei

    Large scale deployment of electric vehicles (EVs) and heat pumps (HPs) holds great potential not only to limit the greenhouse gas (GHG) emission and fossil fuel consumption in the transportation and heating sectors but also to cope with the intermittency due to the further utilization of renewable...

  16. Optimal Operation of EVs and HPs in the Nordic Power System

    DEFF Research Database (Denmark)

    Liu, Zhaoxi

    -fill" pattern to the grid when it is introduced into the day-ahead electricity market. A combined modeling of the EV and HP energy planning is proposed for both the energy plans in the day-ahead electricity market and the frequency reserve provision decisions in the ancillary service market. It is shown...

  17. Real-Time Forecasting of EV Charging Station Scheduling for Smart Energy Systems

    Directory of Open Access Journals (Sweden)

    Bharatiraja Chokkalingam

    2017-03-01

    Full Text Available The enormous growth in the penetration of electric vehicles (EVs, has laid the path to advancements in the charging infrastructure. Connectivity between charging stations is an essential prerequisite for future EV adoption to alleviate user’s “range anxiety”. The existing charging stations fail to adopt power provision, allocation and scheduling management. To improve the existing charging infrastructure, data based on real-time information and availability of reserves at charging stations could be uploaded to the users to help them locate the nearest charging station for an EV. This research article focuses on an a interactive user application developed through SQL and PHP platform to allocate the charging slots based on estimated battery parameters, which uses data communication with charging stations to receive the slot availability information. The proposed server-based real-time forecast charging infrastructure avoids waiting times and its scheduling management efficiently prevents the EV from halting on the road due to battery drain out. The proposed model is implemented using a low-cost microcontroller and the system etiquette tested.

  18. Observation of the suppression of the flux of cosmic rays above 4x10(19) eV

    NARCIS (Netherlands)

    Abraham, J.; Abreu, P.; Aglietta, M.; Aguirre, C.; Allard, D.; Allekotte, I.; Allen, J.; Allison, P.; Alvarez-Muniz, J.; Ambrosio, M.; Anchordoqui, L.; Andringa, S.; Anzalone, A.; Aramo, C.; Argiro, S.; Arisaka, K.; Armengaud, E.; Arneodo, F.; Arqueros, F.; Asch, T.; Asorey, H.; Assis, P.; Atulugama, B. S.; Aublin, J.; Ave, M.; Avila, G.; Backer, T.; Badagnani, D.; Barbosa, A. F.; Barnhill, D.; Barroso, S. L. C.; Baughman, B.; Bauleo, P.; Beatty, J. J.; Beau, T.; Becker, B. R.; Becker, K. H.; Bellido, J. A.; BenZvi, S.; Berat, C.; Bergmann, T.; Bernardini, P.; Bertou, X.; Biermann, P. L.; Billoir, P.; Blanch-Bigas, O.; Blanco, F.; Blasi, P.; Bleve, C.; Mer, H. Blu; Bohacova, M.; Bonifazi, C.; Bonino, R.; Brack, J.; Brogueira, P.; Brown, W. C.; Buchholz, P.; Bueno, A.; Burton, R. E.; Busca, N. G.; Caballero-Mora, K. S.; Cai, B.; Camin, D. V.; Caramete, L.; Caruso, R.; Carvalho, W.; Castellina, A.; Catalano, O.; Cataldi, G.; Cazon, L.; Cester, R.; Chauvin, J.; Chiavassa, A.; Chinellato, J. A.; Chou, A.; Chudoba, J.; Chye, J.; Clark, P. D. J.; Clay, R. W.; Colombo, E.; Conceicao, R.; Connolly, B.; Contreras, F.; Coppens, J.; Cordier, A.; Cotti, U.; Coutu, S.; Covault, C. E.; Creusot, A.; Criss, A.; Cronin, J.; Curutiu, A.; Dagoret-Campagne, S.; Daumiller, K.; Dawson, B. R.; de Almeida, R. M.; de Donato, C.; de Jong, S. J.; De La Vega, G.; Junior, W. J. M. de Mello; de Mello Neto, J. R. T.; De Mitri, I.; de Souza, V.; del Peral, L.; Deligny, O.; Della Selva, A.; Delle Fratte, C.; Dembinski, H.; Di Giulio, C.; Diaz, J. C.; Diep, P. N.; Dobrigkeit, C.; D'Olivo, J. C.; Dong, P. N.; Dornic, D.; Dorofeev, A.; dos Anjos, J. C.; Dova, M. T.; D'Urso, D.; Dutan, I.; DuVernois, M. A.; Engel, R.; Epele, L.; Escobar, C. O.; Etchegoyen, A.; Luis, P. Facal San; Falcke, H.; Farrar, G.; Fauth, A. C.; Fazzini, N.; Ferrer, F.; Ferrero, A.; Fick, B.; Filevich, A.; Filipcic, A.; Fleck, I.; Fracchiolla, C. E.; Fulgione, W.; Garcia, B.; Gamez, D. Garcia; Garcia-Pinto, D.; Garrido, X.; Geenen, H.; Gelmini, G.; Gemmeke, H.; Ghia, P. L.; Giller, M.; Glass, H.; Gold, M. S.; Golup, G.; Albarracin, F. Gomez; Berisso, M. Gomez; Goncalves, P.; do Amaral, M. Goncalves; Gonzalez, D.; Gonzalez, J. G.; Gonzalez, M.; Gora, D.; Gorgi, A.; Gouffon, P.; Grassi, V.; Grillo, A. F.; Grunfeld, C.; Guardincerri, Y.; Guarino, F.; Guedes, G. P.; Gutierrez, J.; Hague, J. D.; Halenka, V.; Hamilton, J. C.; Hansen, P.; Harari, D.; Harmsma, S.; Harton, J. L.; Haungs, A.; Hauschildt, T.; Healy, M. D.; Hebbeker, T.; Hebrero, G.; Heck, D.; Hojvat, C.; Holmes, V. C.; Homola, P.; Horandel, J. R.; Horneffer, A.; Hrabovsky, M.; Huege, T.; Hussain, M.; Iarlori, M.; Insolia, A.; Ionita, F.; Italiano, A.; Kaducak, M.; Kampert, K. H.; Karova, T.; Kasper, P.; Kegl, B.; Keilhauer, B.; Kemp, E.; Kieckhafer, R. M.; Klages, H. O.; Kleifges, M.; Kleinfeller, J.; Knapik, R.; Knapp, J.; Koang, D. -H.; Krieger, A.; Kroemer, O.; Kuempel, D.; Kunka, N.; Kusenko, A.; La Rosa, G.; Lachaud, C.; Lago, B. L.; Lebrun, D.; Lebrun, P.; Lee, J.; de Oliveira, M. A. Leigui; Letessier-Selvon, A.; Leuthold, M.; Lhenry-Yvon, I.; Lopez, R.; Aguera, A. Lopez; Bahilo, J. Lozano; Lucero, A.; Garcia, R. Luna; Maccarone, M. C.; Macolino, C.; Maldera, S.; Mancarella, G.; Mancenido, M. E.; Mandat, D.; Mantsch, P.; Mariazzi, A. G.; Maris, I. C.; Falcon, H. R. Marquez; Martello, D.; Martinez, J.; Bravo, O. Martinez; Mathes, H. J.; Matthews, J.; Matthews, J. A. J.; Matthiae, G.; Maurizio, D.; Mazur, P. O.; McCauley, T.; McEwen, M.; McNeil, R. R.; Medina, M. C.; Medina-Tanco, G.; Melo, D.; Menichetti, E.; Menschikov, A.; Meurer, C.; Meyhandan, R.; Micheletti, M. I.; Miele, G.; Miller, W.; Mollerach, S.; Monasor, M.; Ragaigne, D. Monnier; Montanet, F.; Morales, B.; Morello, C.; Moreno, J. C.; Morris, C.; Mostafa, M.; Muller, M. A.; Mussa, R.; Navarra, G.; Navarro, J. L.; Navas, S.; Necesal, P.; Nellen, L.; Newman-Holmes, C.; Newton, D.; Nhung, P. T.; Nierstenhoefer, N.; Nitz, D.; Nosek, D.; Nozka, L.; Oehlschlaeger, J.; Ohnuki, T.; Olinto, A.; Olmos-Gilbaja, V. M.; Ortiz, M.; Ortolani, F.; Ostapchenko, S.; Otero, L.; Pacheco, N.; Selmi-Dei, D. Pakk; Palatka, M.; Pallotta, J.; Parente, G.; Parizot, E.; Parlati, S.; Pastor, S.; Patel, M.; Paul, T.; Pavlidou, V.; Payet, K.; Pech, M.; Pekala, J.; Pelayo, R.; Pepe, I. M.; Perrone, L.; Pesce, R.; Petrera, S.; Petrinca, P.; Petrov, Y.; Pichel, A.; Piegaia, R.; Pierog, T.; Pimenta, M.; Pinto, T.; Pirronello, V.; Pisanti, O.; Platino, M.; Pochon, J.; Privitera, P.; Prouza, M.; Quel, E. J.; Rautenberg, J.; Redondo, A.; Reucroft, S.; Revenu, B.; Rezende, F. A. S.; Ridky, J.; Riggi, S.; Risse, M.; Riviere, C.; Rizi, V.; Roberts, M.; Robledo, C.; Rodriguez, G.; Martino, J. Rodriguez; Rojo, J. Rodriguez; Rodriguez-Cabo, I.; Rodriguez-Frias, M. D.; Ros, G.; Rosado, J.; Roth, M.; Rouille-d'Orfeuil, B.; Roulet, E.; Rovero, A. C.; Salamida, F.; Salazar, H.; Salina, G.; Sanchez, F.; Santander, M.; Santo, C. E.; Santos, E. M.; Sarazin, F.; Sarkar, S.; Sato, R.; Scherini, V.; Schieler, H.; Schmidt, A.; Schmidt, F.; Schmidt, T.; Scholten, O.; Schovanek, P.; Schroeder, F.; Schulte, S.; Schuessler, F.; Sciutto, S. J.; Scuderi, M.; Segreto, A.; Semikoz, D.; Settimo, M.; Shellard, R. C.; Sidelnik, I.; Siffert, B. B.; Sigl, G.; De Grande, N. Smetniansky; Smialkowski, A.; Smida, R.; Smith, A. G. K.; Smith, B. E.; Snow, G. R.; Sokolsky, P.; Sommers, P.; Sorokin, J.; Spinka, H.; Squartini, R.; Strazzeri, E.; Stutz, A.; Suarez, F.; Suomijaervi, T.; Supanitsky, A. D.; Sutherland, M. S.; Swain, J.; Szadkowski, Z.; Takahashi, J.; Tamashiro, A.; Tamburro, A.; Tarutina, T.; Tascau, O.; Tcaciuc, R.; Thao, N. T.; Thomas, D.; Ticona, R.; Tiffenberg, J.; Timmermans, C.; Tkaczyk, W.; Peixoto, C. J. Todero; Tome, B.; Tonachini, A.; Torres, I.; Travnicek, P.; Tripathi, A.; Tristram, G.; Tscherniakhovski, D.; Tuci, V.; Tueros, M.; Tunnicliffe, V.; Ulrich, R.; Unger, M.; Urban, M.; Galicia, J. F. Valdes; Valino, I.; Valore, L.; van den Berg, A. M.; van Elewyck, V.; Vazquez, R. A.; Veberic, D.; Veiga, A.; Velarde, A.; Venters, T.; Verzi, V.; Videla, M.; Villasenor, L.; Vorobiov, S.; Voyvodic, L.; Wahlberg, H.; Wahrlich, P.; Wainberg, O.; Walker, P.; Warner, D.; Watson, A. A.; Westerhoff, S.; Wieczorek, G.; Wiencke, L.; Wilczynska, B.; Wilczynski, H.; Wileman, C.; Winnick, M. G.; Wu, H.; Wundheiler, B.; Yamamoto, T.; Younk, P.; Zas, E.; Zavrtanik, D.; Zavrtanik, M.; Zaw, I.; Zepeda, A.; Ziolkowski, M.

    2008-01-01

    The energy spectrum of cosmic rays above 2.5 x 10(18) eV, derived from 20 000 events recorded at the Pierre Auger Observatory, is described. The spectral index gamma of the particle flux, J proportional to E(-gamma), at energies between 4 x 10(18) eV and 4 x 10(19) eV is 2.69 +/- 0.02(stat) +/-

  19. Technology Roadmaps - Electric and plug-in hybrid electric vehicles (EV/PHEV)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-06-15

    The mass deployment of electric and plug-in hybrid electric vehicles (EVs and PHEVs) that rely on low greenhouse gas (GHG) emission electricity generation has great potential to significantly reduce the consumption of petroleum and other high CO2-emitting transportation fuels. The vision of the Electric and Plug-in Hybrid (EV/PHEV) Vehicles Roadmap is to achieve by 2050 the widespread adoption and use of EVs and PHEVs, which together represent more than 50% of annual LDV (light duty vehicle) sales worldwide. In addition to establishing a vision, this roadmap sets strategic goals to achieve it, and identifies the steps that need to be taken to accomplish these goals. This roadmap also outlines the roles and collaboration opportunities for different stakeholders and shows how government policy can support the overall achievement of the vision. The strategic goals for attaining the widespread adoption and use of EVs and PHEVs worldwide by 2050 cover the development of the EV/PHEV market worldwide through 2030 and involve targets that align with global targets to stabilise GHG concentrations. These technology-specific goals include the following: Set targets for electric-drive vehicle sales; Develop coordinated strategies to support the market introduction of electric-drive vehicles; Improve industry understanding of consumer needs and behaviours; Develop performance metrics for characterising vehicles; Foster energy storage RD and D initiatives to reduce costs and address resource-related issues; and, Develop and implement recharging infrastructure. The roadmap outlines additional recommendations that must be considered in order to successfully meet the technology milestones and strategic goals. These recommendations include the following: Use a comprehensive mix of policies that provide a clear framework and balance stakeholder interests; Engage in international collaboration efforts; and, Address policy and industry needs at a national level. The IEA will work in an

  20. Composition of near-Earth Asteroid 2008 EV5: Potential target for robotic and human exploration

    Science.gov (United States)

    Reddy, Vishnu; Le Corre, Lucille; Hicks, Michael; Lawrence, Kenneth; Buratti, Bonnie J.; Abell, Paul A.; Gaffey, Michael J.; Hardersen, Paul S.

    2012-11-01

    We observed Potentially Hazardous Asteroid (PHA) 2008 EV5 in the visible (0.30-0.92 μm) and near-IR (0.75-2.5 μm) wavelengths to determine its surface composition. This asteroid is especially interesting because it is a potential target for two sample return mission proposals (Marco Polo-R and Hayabusa-2) and human exploration due to its low delta-v for rendezvous. The spectrum of 2008 EV5 is essentially featureless with exception of a weak 0.48-μm spin-forbidden Fe3+ absorption band. The spectrum also has an overall blue slope. The albedo of 2008 EV5 remains uncertain with a lower limit at 0.05 and a higher end at 0.20 based on thermal modeling. The Busch et al. (Busch et al. [2011]. Icarus 212, 649-660) albedo estimate of 0.12 ± 0.04 is consistent with our thermal modeling results. The albedo and composition of 2008 EV5 are also consistent with a C-type taxonomic classification (Somers, J.M., Hicks, M.D., Lawrence, K.J. [2008]. Bull. Am. Astron. Soc. 40, 440). The best spectral match is with CI carbonaceous chondrites similar to Orgueil, which also have a weak 0.48-μm feature and an overall blue slope. This 0.48-μm feature is also seen in the spectrum of magnetite. The albedo of CI chondrites is at the lower limit of our estimated range for the albedo of 2008 EV5.

  1. Supernova 2010ev: A reddened high velocity gradient type Ia supernova

    Science.gov (United States)

    Gutiérrez, Claudia P.; González-Gaitán, Santiago; Folatelli, Gastón; Pignata, Giuliano; Anderson, Joseph P.; Hamuy, Mario; Morrell, Nidia; Stritzinger, Maximilian; Taubenberger, Stefan; Bufano, Filomena; Olivares E., Felipe; Haislip, Joshua B.; Reichart, Daniel E.

    2016-05-01

    Aims: We present and study the spectroscopic and photometric evolution of the type Ia supernova (SN Ia) 2010ev. Methods: We obtain and analyze multiband optical light curves and optical/near-infrared spectroscopy at low and medium resolution spanning -7 days to +300 days from the B-band maximum. Results: A photometric analysis shows that SN 2010ev is a SN Ia of normal brightness with a light-curve shape of Δm15(B) = 1.12 ± 0.02 and a stretch s = 0.94 ± 0.01 suffering significant reddening. From photometric and spectroscopic analysis, we deduce a color excess of E(B - V) = 0.25 ± 0.05 and a reddening law of Rv = 1.54 ± 0.65. Spectroscopically, SN 2010ev belongs to the broad-line SN Ia group, showing stronger than average Si IIλ6355 absorption features. We also find that SN 2010ev is a high velocity gradient SN with v˙Si = 164 ± 7 km s-1 d-1. The photometric and spectral comparison with other supernovae shows that SN 2010ev has similar colors and velocities to SN 2002bo and SN 2002dj. The analysis of the nebular spectra indicates that the [Fe II]λ7155 and [Ni II]λ7378 lines are redshifted, as expected for a high velocity gradient supernova. All these common intrinsic and extrinsic properties of the high velocity gradient (HVG) group are different from the low velocity gradient (LVG) normal SN Ia population and suggest significant variety in SN Ia explosions. This paper includes data gathered with the Du Pont Telescope at Las Campanas Observatory, Chile; and the Gemini Observatory, Cerro Pachon, Chile (Gemini Program GS-2010A-Q-14). Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere, Chile (ESO Programme 085.D-0577).

  2. PENGARUH PENGGUNAAN BUKU AJAR BERBASIS STEM BERBANTUAN LEGO MINDSTORM EV3 TERHADAP PEMAHAMAN KONSEP MOMENTUM SISWA

    Directory of Open Access Journals (Sweden)

    Ratih Mega Ayu Afifah

    2017-10-01

    Full Text Available The purpose of this research is to figure out the effect of using STEM (Science, Technology, Engineering, and Mathematic based textbook that assisted by using LEGO mindstorm EV3 toward the students’s understanding of momentum subject. The design of this research that is pretest-postest group design. The Samples are composed of 12 students from experimental class and 12 students from control class. The results of this research show that the conceptual understanding of experimental class that using STEM-based textbook that assisted by using LEGO mindstorm EV3 is beter than the understanding of control class which using the conventional textbook in the ordinary class. The implication of this research is applying this textbook to measure the other cognitive dimention such as reasoning. Abstrak Tujuan penelitian ini adalah untuk mengetahui pengaruh penggunaan buku ajar berbasis STEM (Science, Technology, Engineering, dan Mathematics berbantuan LEGO mindstorm EV3 dalam pembelajaran fisika terhadap pemahaman konsep siswa pada materi momentum. Penelitian ini menggunakan desain eksperimen pretest postest group design. Sampel penelitian terdiri dari 12  siswa kelompok eksperimen dan 12 siswa kelompok kontrol. Berdasarkan hasil analisis menunjukkan bahwa pemahaman konsep kelompok siswa yang menggunakan buku ajar berbasis STEM berbantuan LEGO mindstorm EV3 secara signifikan lebih meningkat dibandingkan dengan kelompok yang menggunakan buku yang biasa digunakan di sekolah. Hasil penelitian menunjukkan bahwa penggunaan buku ajar berbasis STEM berbantuan robot LEGO mindstorm EV3 dapat meningkatkan pemahaman konsep siswa pada materi momentum. Implikasi pada penelitian ini adalah menerapkan buku ajar tersebut untuk mengukur dimensi kognitif lainnya seperti penalaran.

  3. Development of nickel/metal-hydride batteries for EVs and HEVs

    Science.gov (United States)

    Taniguchi, Akihiro; Fujioka, Noriyuki; Ikoma, Munehisa; Ohta, Akira

    This paper is to introduce the nickel/metal-hydride (Ni/MH) batteries for electric vehicles (EVs) and hybrid electric vehicles (HEVs) developed and mass-produced by our company. EV-95 for EVs enables a vehicle to drive approximately 200 km per charge. As the specific power is extremely high, more than 200 W/kg at 80% depth of discharge (DOD), the acceleration performance is equivalent to that of gasoline fuel automobiles. The life characteristic is also superior. This battery gives the satisfactory result of more than 1000 cycles in bench tests and approximately 4-year on-board driving. EV-28 developed for small EVs comprises of a compact and light battery module with high specific power of 300 W/kg at 80% DOD by introducing a new technology for internal cell connection. Meanwhile, our cylindrical battery for the HEV was adopted into the first generation Toyota Prius in 1997 which is the world's first mass-product HEV, and has a high specific power of 600 W/kg. Its life characteristic was found to be equivalent to more than 100,000 km driving. Furthermore, a new prismatic module in which six cells are connected internally was used for the second generation Prius in 2000. The prismatic battery comprises of a compact and light battery pack with a high specific power of 1000 W/kg, which is approximately 1.7 times that of conventional cylindrical batteries, as a consequence of the development of a new internal cell connection and a new current collection structure.

  4. A Comprehensive Study of Key Electric Vehicle (EV Components, Technologies, Challenges, Impacts, and Future Direction of Development

    Directory of Open Access Journals (Sweden)

    Fuad Un-Noor

    2017-08-01

    Full Text Available Electric vehicles (EV, including Battery Electric Vehicle (BEV, Hybrid Electric Vehicle (HEV, Plug-in Hybrid Electric Vehicle (PHEV, Fuel Cell Electric Vehicle (FCEV, are becoming more commonplace in the transportation sector in recent times. As the present trend suggests, this mode of transport is likely to replace internal combustion engine (ICE vehicles in the near future. Each of the main EV components has a number of technologies that are currently in use or can become prominent in the future. EVs can cause significant impacts on the environment, power system, and other related sectors. The present power system could face huge instabilities with enough EV penetration, but with proper management and coordination, EVs can be turned into a major contributor to the successful implementation of the smart grid concept. There are possibilities of immense environmental benefits as well, as the EVs can extensively reduce the greenhouse gas emissions produced by the transportation sector. However, there are some major obstacles for EVs to overcome before totally replacing ICE vehicles. This paper is focused on reviewing all the useful data available on EV configurations, battery energy sources, electrical machines, charging techniques, optimization techniques, impacts, trends, and possible directions of future developments. Its objective is to provide an overall picture of the current EV technology and ways of future development to assist in future researches in this sector.

  5. Vibronic Coupling in the Ground State of Vinylidene ˜{X} ^1A_1 H_2CC

    Science.gov (United States)

    Gibson, Stephen T.; Laws, Benjamin A.; Guo, Hua; Neumark, Daniel; Lineberger, Carl; Field, Robert W.

    2017-06-01

    The nature of the isomeration process that turns vinylidene H_2CC to acetylene HCCH, requiring a 1,2-hydrogen atom shift across the molecule, is a long standing puzzle that has its origin in a 1989 photoelectron measurement of vinylidide (H_2CC^-). In recent years the photoelectron spectrum of vinylidide has been revisited, using improved experimental techniques, including velocity-map imaging for the detection of photoelectrons, low-temperature near-threshold methods (cryo-SEVI), and sophisticated ab inito calculations. The simple normal-mode structure, 1064 nm velocity-map image illustrated, is proving a challenge to decipher. However, the dramatic change in the photoelectron angular distribution of the inner-ring structure is characteristic of vibronic coupling. The lowest electronic state with the correct symmetry, ˜{B} ^{1}B_2, is 4eV higher in energy. K. M. Ervin et al. J. Chem. Phys. 91 5974 (1991) J. A. De Vine et al. J. Am. Chem. Soc. 138 16417 (2016) L. Guo et al. J. Phys. Chem. 119 8488 (2015) A. Weaver et al. J. Chem. Phys. 94 1740 (1991) Research supported by the Australian Research Council Discovery Project Grant DP160102585.

  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. Benchmarking by State Higher Education Boards.

    Science.gov (United States)

    Barak, Robert J.; Kniker, Charles R.

    2002-01-01

    Describes how state higher education governing boards can use benchmarking to provide direction for colleges and universities. Provides an in-depth example and indicators used by selected state higher education boards. (EV)

  9. VUV photoionization of acetamide studied by electron/ion coincidence spectroscopy in the 8-24 eV photon energy range

    KAUST Repository

    Schwell, Martin

    2012-01-01

    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 2A′) = (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 2A″, 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 2CO. Heats of formation are derived for all ions detected and are compared with literature values. Some astrophysical implications of these results are discussed. © 2011 Elsevier B.V. All rights reserved.

  10. 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

    Isomerism, also known as heterotaxy, is a clinical entity that impacts multiple organ systems both anatomically and functionally. The airways and lungs are involved in a great number of these patients, leading to increased sinopulmonary symptoms, increased need for oxygenation, and increased post...... isomerism. The results are likely limited by selection bias and highlight the need for multicentric efforts to characterize cardiopulmonary exercise testing in those patients with pulmonary isomerism.......Isomerism, also known as heterotaxy, is a clinical entity that impacts multiple organ systems both anatomically and functionally. The airways and lungs are involved in a great number of these patients, leading to increased sinopulmonary symptoms, increased need for oxygenation, and increased...... postoperative ventilatory support. Additionally, these patients often have congenital heart disease requiring Fontan palliation. What has not been previously described, and is the focus of this study, is the results of cardiopulmonary exercise testing in those who have undergone Fontan palliation...

  11. VUV photoionization of acetamide studied by electron/ion coincidence spectroscopy in the 8-24 eV photon energy range

    Energy Technology Data Exchange (ETDEWEB)

    Schwell, Martin, E-mail: Martin.Schwell@lisa.u-pec.fr [LISA UMR CNRS 7583, Universite Paris Est Creteil and Universite Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du General de Gaulle, 94010 Creteil (France); Benilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire; Es-Sebbar, Et. [LISA UMR CNRS 7583, Universite Paris Est Creteil and Universite Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du General de Gaulle, 94010 Creteil (France); Garcia, Gustavo A.; Nahon, Laurent [Synchrotron SOLEIL, L' Orme des Merisiers, St. Aubin, B.P. 48, 91192 Gif-sur-Yvette Cedex (France); Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Leach, Sydney, E-mail: Sydney.Leach@obspm.fr [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France)

    2012-01-17

    Highlights: Black-Right-Pointing-Pointer We study the VUV photoionization of acetamide in the 8-24 eV photon energy range. Black-Right-Pointing-Pointer Electron/ion coincidence measurements are performed using synchrotron radiation. Black-Right-Pointing-Pointer The adiabatic ionization energy of acetamide is determined by TPEPICO measurements. Black-Right-Pointing-Pointer 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{sup 2}A Prime ) = (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{sup 2}A Double-Prime , was determined to be Almost-Equal-To 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{sub 3}, NH{sub 2}, NH{sub 3}, CO, HCCO and NH{sub 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.

  12. Cat's claw oxindole alkaloid isomerization induced by cell incubation and cytotoxic activity against T24 and RT4 human bladder cancer cell lines.

    Science.gov (United States)

    Kaiser, Samuel; Dietrich, Fabrícia; de Resende, Pedro Ernesto; Verza, Simone Gasparin; Moraes, Renata Cougo; Morrone, Fernanda Bueno; Batastini, Ana Maria Oliveira; Ortega, George González

    2013-10-01

    The antitumor activity of Uncaria tomentosa, a native vine from the Amazonian rainforest, has been ascribed to pentacyclic oxindole alkaloids occurring in its bark. Former studies have shown that this activity, as well as its intensity, depends on whether cat's claw alkaloids occur as original compounds or isomerized derivatives. This work addresses this aspect, using T24 and RT4 human bladder cancer cell lines for that purpose. Bark samples were extracted by dynamic maceration, prepurified with cross-linked polyvinylpyrrolidone and properly fractioned by an ion exchange process to obtain an oxindole alkaloid purified fraction. Alkaloid isomerization was induced by heating it under reflux at 85 °C. Samples collected after 5, 15, and 45 min of heating were analyzed by HPLC-PDA, freeze-dried at once, and separately assayed using the non-isomerized purified fraction for comparison purposes. The latter showed significant and dose-dependent cytotoxic activity against both T24 and RT4 cancer cell lines (IC50: 164.13 and 137.23 µg/mL, respectively). However, results for both cell lines were equivalent to those observed for isomerized samples (p > 0.05). The alkaloid isomerization induced by the incubation conditions (buffered medium pH 7.4 and temperature 37 °C) helps to explain the similar results obtained from non-isomerized and isomerized samples. Mitraphylline, speciophylline, uncarine F, and, to a lesser degree, pteropodine were more susceptible to isomerization under the incubation conditions. Thus, the alkaloid profile of all fractions and their cytotoxic activities against T24 and RT4 human bladder cancer cell lines are determined to a large extent by the incubation conditions. Georg Thieme Verlag KG Stuttgart · New York.

  13. The influence of antioxidants in the thiyl radical induced lipid peroxidation and geometrical isomerization in micelles of linoleic acid.

    Science.gov (United States)

    Tartaro Bujak, Ivana; Mihaljević, Branka; Ferreri, Carla; Chatgilialoglu, Chryssostomos

    2016-11-01

    The biomimetic model of micelles of linoleic acid containing 2-mercaptoethanol and the antioxidant was examined under gamma irradiation up to 400 Gy in aerobic or deoxygenated conditions where thiyl radicals are the main reactive species. Lipid peroxidation was retarded by ascorbic acid and α-tocopherol, whereas this process was strongly inhibited by resveratrol as effectively as the ascorbic acid/α-tocopherol mixture. Furthermore, antioxidants have a much stronger inhibitory effect on the peroxidation in the presence of 2-mercaptoethanol, and at the same time show protective properties of the double bond, decreasing the cis-trans isomerization. Under anaerobic conditions, cis-trans isomerization occurred and antioxidants efficiency increased along the series: resveratrol lipid geometry.

  14. Isomeric ratio measurements for the radiative neutron capture 176Lu(n ,γ ) at the LANL DANCE facility

    Science.gov (United States)

    Denis-Petit, D.; Roig, O.; Méot, V.; Morillon, B.; Romain, P.; Jandel, M.; Kawano, T.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.

    2016-11-01

    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. The experiment was carried out with the Detector for Advanced Neutron Capture Experiments (DANCE) at the Los Alamos National Laboratory. Measured isomeric ratios are compared with talys calculations using different models for photon strength functions, level densities, and optical potentials. In order to reproduce the experimental γ -ray spectra, a low-energy resonance must be added in the photon strength function used in our Hauser-Feshbach calculations.

  15. Mechanically induced cis-to-trans isomerization of carbon-carbon double bonds using atomic force microscopy.

    Science.gov (United States)

    Radiom, Milad; Kong, Phally; Maroni, Plinio; Schäfer, Mark; Kilbinger, Andreas F M; Borkovec, Michal

    2016-11-16

    Cis-to-trans isomerization of carbon-carbon double bonds can be induced by the application of mechanical force. Using single molecule force spectroscopy by means of atomic force microscopy (AFM) we pulled polymer molecules which contained cis double bonds in the backbone. In the force versus extension profiles of these polymers, a sudden extension increase is observed which is due to the conversion of shorter cis isomers into longer trans isomers. The added length to the polymer results in relaxation in probed force. We find that the isomerization occurs at forces of 800 ± 60 pN, independent of AFM tip and solid substrate chemistries. Investigation of similar polymers which exclusively contained single bonds in the backbone showed no evidence of a similar transition.

  16. Acidic and basic properties of zeolite-containing cracking catalyst in the process of butene-1 isomerization

    Science.gov (United States)

    Mursalova, L. A.; Guseinova, E. A.; Adzhamov, K. Yu.

    2016-08-01

    The process of butene-1 isomerization in the presence of two groups of samples of zeolite-containing catalyst (ZCC) that earlier participated in the traditional and oxidative catalytic cracking of vacuum gasoil is investigated. It is established that the nature of the reaction mixture and conditions of the cracking process are key factors in forming the acidic and basic properties of the catalyst. It is shown that the highest activity in the butene-1 isomerization into cis-/ trans-butene-2 is demonstrated by ZCC samples that participated in the oxidative catalytic cracking (oxycracking). It is suggested that the enhanced catalytic activity of this group of ZCC samples was related to the availability of acid-base centers in the form of radical-like oxygen along with protic- and aprotic-type acidic centers in the structure of the oxidative compaction products.

  17. Sensorless Control of IM for Limp-Home Mode EV Applications

    DEFF Research Database (Denmark)

    Dehghan-Azad, Ehsan; Gadoue, Shady; Atkinson, David

    2017-01-01

    with a 5-kW IM. A performance comparison was carried out between the proposed and conventional back-EMF MRAS schemes for starting from standstill, sensitivity to parameter variations and constant speed operation with load variations. Utilizing the golf buggy, the behaviors of the new scheme was separately......This paper presents a novel speed estimation scheme for induction motors (IMs) based on back electromotive-force model reference adaptive system (back-EMF MRAS). The scheme is employed for the purpose of sensorless fault-Tolerant torque-controlled drives used in a limp-home mode operation...... in electric vehicle (EV) applications. The proposed scheme was experimentally tested on a laboratory dynamometer using a 19-kW IM and a 29-kW controller, which are both currently used in the automotive industry for EV applications. The scheme was also implemented on an electric golf buggy which was equipped...

  18. Efficient determination of distribution tariffs for the prevention of congestion from EV Charging

    DEFF Research Database (Denmark)

    O'Connell, Niamh; Wu, Qiuwei; Østergaard, Jacob

    2012-01-01

    A dual objective electric vehicle (EV) charging schedule optimisation is proposed here whereby both consumer driving requirements and grid constraints are respected. A day-ahead dynamic tariff (DT) for distribution systems is proposed as a price signal to EV fleet operators (FO) bidding...... into the day-ahead market. The DT acts to disperse charging at congested periods and locations, thereby preventing congestion on a day-ahead basis. The magnitude of the DT is determined from a simulated locational marginal prices (LMPs), and the time extent of the DT is determined from analysis of the system...... loading curve prior to the application of the DT. Case studies were performed using a sample distribution network modelled on a network from the Danish island of Bornholm. A variety of price profiles were used to illustrate the efficacy of this approach. The case study results show that this approach...

  19. Dual baseline search for muon antineutrino disappearance at 0.1eV2<Δm2<100eV2

    Science.gov (United States)

    Cheng, G.; Huelsnitz, W.; Aguilar-Arevalo, A. A.; Alcaraz-Aunion, J. L.; Brice, S. J.; Brown, B. C.; Bugel, L.; Catala-Perez, J.; Church, E. D.; Conrad, J. M.; Dharmapalan, R.; Djurcic, Z.; Dore, U.; Finley, D. A.; Ford, R.; Franke, A. J.; Garcia, F. G.; Garvey, G. T.; Giganti, C.; Gomez-Cadenas, J. J.; Grange, J.; Guzowski, P.; Hanson, A.; Hayato, Y.; Hiraide, K.; Ignarra, C.; Imlay, R.; Johnson, R. A.; Jones, B. J. P.; Jover-Manas, G.; Karagiorgi, G.; Katori, T.; Kobayashi, Y. K.; Kobilarcik, T.; Kubo, H.; Kurimoto, Y.; Louis, W. C.; Loverre, P. F.; Ludovici, L.; Mahn, K. B. M.; Mariani, C.; Marsh, W.; Masuike, S.; Matsuoka, K.; McGary, V. T.; Metcalf, W.; Mills, G. B.; Mirabal, J.; Mitsuka, G.; Miyachi, Y.; Mizugashira, S.; Moore, C. D.; Mousseau, J.; Nakajima, Y.; Nakaya, T.; Napora, R.; Nienaber, P.; Orme, D.; Osmanov, B.; Otani, M.; Pavlovic, Z.; Perevalov, D.; Polly, C. C.; Ray, H.; Roe, B. P.; Russell, A. D.; Sanchez, F.; Shaevitz, M. H.; Shibata, T.-A.; Sorel, M.; Spitz, J.; Stancu, I.; Stefanski, R. J.; Takei, H.; Tanaka, H.-K.; Tanaka, M.; Tayloe, R.; Taylor, I. J.; Tesarek, R. J.; Uchida, Y.; Van de Water, R. G.; Walding, J. J.; Wascko, M. O.; White, D. H.; White, H. B.; Wickremasinghe, D. A.; Yokoyama, M.; Zeller, G. P.; Zimmerman, E. D.

    2012-09-01

    The MiniBooNE and SciBooNE collaborations report the results of a joint search for short baseline disappearance of ν¯μ at Fermilab’s Booster Neutrino Beamline. The MiniBooNE Cherenkov detector and the SciBooNE tracking detector observe antineutrinos from the same beam, therefore the combined analysis of their data sets serves to partially constrain some of the flux and cross section uncertainties. Uncertainties in the νμ background were constrained by neutrino flux and cross section measurements performed in both detectors. A likelihood ratio method was used to set a 90% confidence level upper limit on ν¯μ disappearance that dramatically improves upon prior limits in the Δm2=0.1-100eV2 region.

  20. Uniqueness of solutions to Dirichlet problems for generalized Lavrent'ev-Bitsadze equations with a fractional derivative

    Directory of Open Access Journals (Sweden)

    Olesya Kh. Masaeva

    2017-03-01

    Full Text Available In this article we study the uniqueness of the solution of the Dirichlet problem for an equation of Lavrent'ev-Bitsadze type with a fractional derivative. The equation studied becomes the regular Lavrent'ev-Bitsadze equation when the order of the derivative is an integer.

  1. A Method for Remote Control of EV Charging by Modifying IEC61851 Compliant EVSE Based PWM Signal

    DEFF Research Database (Denmark)

    Pedersen, Anders Bro; Martinenas, Sergejus; Andersen, Peter Bach

    2016-01-01

    The Electric Vehicle (EV) has properties that can not only load but can elevate its value as a resource to the power system. An EV represents a high-power, fast-responding flexible demand unit, with an attached energy storage (battery) and the potential for bi-directional capabilities (V2G...

  2. Establishing China's national standards of antigen content and neutralizing antibody responses for evaluation of enterovirus 71 (EV71) vaccines.

    Science.gov (United States)

    Liang, Zhenglun; Mao, Qunying; Gao, Qiang; Li, Xiuling; Dong, Chenghong; Yu, Xiang; Yao, Xin; Li, Fengxiang; Yin, Weidong; Li, Qihan; Shen, Xinliang; Wang, Junzhi

    2011-12-06

    Enterovirus 71 (EV71) is a highly infectious agent that causes hand-foot-mouth disease (HFMD) in humans. Effective vaccination against EV71 infection is critically important, given the recent outbreak of HFMD in the Asia-Pacific region, where it has shown significant mortality and morbidity. There is currently no approved anti-viral therapy available to treat the disease. While several vaccine manufacturers are actively developing EV71 vaccines, there are no international reference standards available to conduct quality control on EV71 vaccines or to assess the effectiveness of EV71 vaccines in immunized populations. In the current report, antigen reference standard based on the C4 subtype of the EV71 vaccine strain was developed. In addition, neutralizing antibody (NTAb) reference panels were analyzed and standards with various neutralizing titers were selected. These reference antigens were used to calibrate vaccine samples from several producers and found that five EV71 antigens and the national reference standards showed good linearity and parallelism. Moreover, mice immunized with various vaccines at doses standardized by these national references showed comparable NTAb responses. Finally, the national NTAb reference panels were found to effectively reduce assay discrepancy between different labs. Taken together, these national reference standards are highly valuable for the standardization and evaluation of EV71 vaccines. Copyright © 2011 Elsevier Ltd. All rights reserved.

  3. An Exceptionally Facile Two-Step Structural Isomerization and Detoxication via a Water-Assisted Double Lossen Rearrangement

    OpenAIRE

    Feng Li; Chun-Hua Huang; Lin-Na Xie; Na Qu; Jie Shao; Bo Shao; Ben-Zhan Zhu

    2016-01-01

    N-hydroxyphthalimide (NHPI), which is best known as an organocatalyst for efficient C-H activation, has been found to be oxidized by quinoid compounds to its corresponding catalytically active nitroxide-radical. Here, we found that NHPI can be isomerized into isatoic anhydride by an unusually facile two-step method using tetrachloro-1,4-benzoquinone (TCBQ, p-chloranil), accompanied by a two-step hydrolytic dechlorination of highly toxic TCBQ into the much less toxic dihydroxylation product, 2...

  4. 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, ...

  5. Effective n-octane isomerization under exceptionally mild conditions using a novel class of superacidic ionic liquids.

    Science.gov (United States)

    Meyer, Carolin; Wasserscheid, Peter

    2010-10-28

    Superacidic chloroaluminate ionic liquids of the general formula [cation]Cl/AlCl(3)[X(AlCl(3)) > 0.5] + H(2)SO(4) effectively isomerize n-octane to form branched liquid hydrocarbon isomers. Due to the highly acidic character of the ionic liquid the reaction proceeds under extremely mild conditions in a liquid-liquid biphasic reaction mode leading to a minimum of undesired cracking side-reactions.

  6. 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.

  7. GLC and TLC analysis of isopropylidene derivatives of isomeric polyhydroxy acids derived from positional and geometrical isomers of unsaturated fatty acids.

    Science.gov (United States)

    Wood, R

    1967-05-01

    Gas-liquid chromatography (GLC) and thin-layer chromatography (TLC) were used to investigate the isomeric positional geometrical isopropylidene derivatives of nine isomeric dihydroxy esters, four isomeric methyl 9,10-12-trihydroxystearates, and eight isomeric methyl 9,10-12,13-tetrahydroxystearates prepared from unsaturated fatty acids. The isopropylidenes derived fromcis andtrans monounsaturated fatty acids were easily separated on both polar and nonpolar columns. Positional isopropylidenes derived from positional isomers of monounsaturated fatty acids were not separated on either liquid phase but were resolved by TLC.Four of the eight isomeric isopropylidenes derived from the four geometrical isomers of linoleic acid were resolved on the polar column; the other four isomers eluted as a single peak. The four isomeric isopropylidene-trifluoroacetate derivatives derived from ricinoleic and ricinelaidic acids were also resolved on the polar column. GLC analyses were carried out with liquid phases of ethylene glycol succinate methyl silicone polymer (EGSS-X) and methyl silicone polymer (SE-30) packed columns. Isopropylidenes, in addition to their applicability for the resolution of polyhydroxy acid mixtures, are particularly useful for the determination of double bond positions and geometrical configurations of fatty acids without cleavage.

  8. Page 1 478 S Bandopadhyay et al Binding energy (eV) 84 O 85 O ...

    Indian Academy of Sciences (India)

    Figure 6. Expanded runs of the strongest XPS core lines, a. Ni2p doublet and b. Si2P. Table 1. Composition of nickel silicide film. XPS Amplitude FWHM Intensity ASF Relative atomic line (A;KCPS) [T;eV] (I, Kcps-eV) (si) concentration (C). Ni2pala (Eso = 852-6 eV) 135-2 2-4 324.5. Main line 3.7 0.49. Satellite. Eso = 857.8 ...

  9. Frequency Control Using On line Learning Method for Island Smart Grid with EVs and PVs

    Science.gov (United States)

    2014-07-06

    generation from renewable energy in the smart grid (i.e., photovoltaic ( PV ) or wind farm), large frequency fluctuation occurs when the load - frequency...photovoltaic ( PV ) arrays provide active power to local load , such as smart homes. Two EV stations could be treated as dispersed battery energy...photovoltaic ( PV ) or wind farm), large frequency fluctuation occurs when the loadfrequency control (LFC) capacity is not enough to compensate the

  10. Teadus- ja erialaraamatukogudel oma päev ja aasta teo auhind / Kristina Rallmann

    Index Scriptorium Estoniae

    Rallmann, Kristina

    2008-01-01

    Esimene teadus- ja erialaraamatukogude päev toimus 22. oktoobril 2008 Tallinna majanduskoolis, teadusraamatukogu aasta teo auhind läks RR-i virtuaaalnäitusele "Meie parlament ja aeg: fakte, sündmusi, dokumente, inimesi" ning erialaraamatukogu aasta teo auhind Eesti Pimedate Raamatukogu töörühmale heliteavikute CD-plaatidele automatiseeritud paljundamise ja posti teel laenutamise süsteemi eest

  11. EV71 3D Protein Binds with NLRP3 and Enhances the Assembly of Inflammasome Complex

    Science.gov (United States)

    Wan, Pin; Pan, Pan; Zhang, Yecheng; Wu, Kailang; Liu, Yingle; Wu, Jianguo

    2017-01-01

    Activation of NLRP3 inflammasome is important for effective host defense against invading pathogen. Together with apoptosis-associated speck-like protein containing CARD domain (ASC), NLRP3 induces the cleavage of caspase-1 to facilitate the maturation of interleukin-1beta (IL-1β), an important pro-inflammatory cytokine. IL-1β subsequently plays critical roles in inflammatory responses by activating immune cells and inducing many secondary pro-inflammatory cytokines. Although the role of NLRP3 inflammasome in immune response is well defined, the mechanism underlying its assembly modulated by pathogen infection remains largely unknown. Here, we identified a novel mechanism by which enterovirus 71 (EV71) facilitates the assembly of NLRP3 inflammasome. Our results show that EV71 induces production and secretion of IL-1β in macrophages and peripheral blood mononuclear cells (PBMCs) through activation of NLRP3 inflammasome. EV71 replication and protein synthesis are required for NLRP3-mediated activation of IL-1β. Interestingly, EV71 3D protein, a RNA-dependent RNA polymerase (RdRp) was found to stimulate the activation of NLRP3 inflammasome, the cleavage of pro-caspase-1, and the release of IL-1β through direct binding to NLRP3. More importantly, 3D interacts with NLRP3 to facilitate the assembly of inflammasome complex by forming a 3D-NLRP3-ASC ring-like structure, resulting in the activation of IL-1β. These findings demonstrate a new role of 3D as an important player in the activation of inflammatory response, and identify a novel mechanism underlying the modulation of inflammasome assembly and function induced by pathogen invasion. PMID:28060938

  12. Tallinki esimene börsipäev pettis väikeinvestorite ootusi / Hindrek Riikoja

    Index Scriptorium Estoniae

    Riikoja, Hindrek

    2005-01-01

    Tallinki aktsia esimene börsipäev valmistas paljudele väikeinvestoritele pettumust, kuna aktsia hind tõusis päevaga vaid 58 senti ehk 0,7 protsenti. Lisa: Kas teate? Küsimusele, mida teete Tallinki aktsiatega, vastavad: ettevõtja Indrek Toome, Riigikogu liige Margus Hanson, teleprodutsent Raivo Suviste ja AS-i Biodiesel nõukogu esimees Heino Harak

  13. EV Charging Facilities and Their Application in LV Feeders with Photovoltaics

    DEFF Research Database (Denmark)

    Marra, Francesco; Yang, Guangya; Træholt, Chresten

    2013-01-01

    for the different locations in the feeder. With time-series simulations, we quantify the energy size required for a station ESS. A Belgian LV residential grid, modeled using real PV generation and load profiles, is used as case study. The method and simulation results show the effectiveness of using public EV...... charging facilities with the additional function of voltage regulation in feeders with PV....

  14. Photo-induced isomerization of three nitrotoluene isomers: A matrix-isolation infrared spectroscopic and quantum-chemical study

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Chaoyang [Department of Chemistry, Fudan University, Shanghai 200433 (China); Laboratory of Material Chemistry, Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), P.O. Box 919-327, Mianyang, Sichuan 621900 (China); Chen Mohua; Wang Guanjun [Department of Chemistry, Fudan University, Shanghai 200433 (China); Wang Xiaolin [China Academy of Engineering Physics (CAEP), P.O. Box 919-1, Mianyang, Sichuan 621900 (China); Zhou Mingfei, E-mail: mfzhou@fudan.edu.cn [Department of Chemistry, Fudan University, Shanghai 200433 (China)

    2012-01-02

    Graphical abstract: The photo-induced isomerization reactions of ortho-, meta- and para-nitrotoluene molecules were investigated by matrix isolation infrared spectroscopy. Besides the previously reported hydrogen atom transfer isomer of ortho-nitrotoluene, the nitrite isomers as well as the dissociation product tolyloxy radicals were formed upon UV excitation of the three nitrotoluene molecules. Infrared spectra and vibrational frequency assignments are reported. Highlights: Black-Right-Pointing-Pointer Photo-induced isomerization reactions of three nitrotoluene isomers are studied. Black-Right-Pointing-Pointer The nitrite isomers as well as the dissociation product tolyloxy radicals are formed. Black-Right-Pointing-Pointer Infrared spectra and vibrational frequency assignments are reported. - Abstract: The photo-induced isomerization reactions of ortho-, meta- and para-nitrotoluene molecules were investigated by matrix isolation infrared spectroscopy and quantum chemical calculations. Under UV irradiation of ortho-nitrotoluene in solid argon, the hydrogen atom transfer isomer was formed, as reported previously. It was found that the hydrogen atom transfer isomer is unstable and rearranged to its nitro isomer upon annealing. In addition, the nitrite isomer as well as its dissociation product tolyloxy radical was also formed. Only the nitrite isomers and the tolyloxy radicals were formed upon UV excitation of the meta- and para-nitrotoluene molecules. Infrared spectra and vibrational frequency assignments of the newly observed nitrite isomers and tolyloxy radicals are reported, which are supported by quantum chemical calculations.

  15. Distribution, isomerization and enantiomer selectivity of hexabromocyclododecane (HBCD) diastereoisomers in different tissue and subcellular fractions of earthworms.

    Science.gov (United States)

    Li, Bing; Chen, Hao; Sun, Hongwen; Lan, Zhonghui

    2017-05-01

    In this study, earthworms Eisenia fetida (E. fetida) were exposed to a soil artificially contaminated with individual hexabromocyclododecane (HBCD) diastereoisomers (α-, β- and γ-HBCDs) to investigate the distribution, isomerization and enantiomer selectivity of HBCDs at tissue and subcellular levels. At the tissue level, the concentrations of HBCDs all followed the order of gut>bodyfluid>body wall, which suggested that earthworms accumulated HBCDs mainly via ingesting soil particles. At the subcellular level, the concentrations of HBCDs in an extracellular fraction consisting of granules, tissue fragment, cell membrane and intact cells (fraction A) were higher than those in an intracellular fractions consisting of the microsomal and cytosol (fraction B+C). This confirmed the passive diffusion during the distribution of HBCDs into the intracellular compartment. The distribution proportions of HBCDs varied among different tissue and subcellular fractions, and all changed over time within 14 days. The variable distributions of HBCDs in different fractions were a result of the comprehensive effects of dynamics and thermodynamics processes. The β- and γ-HBCDs were isomerized to α-HBCD in all tissue and subcellular fractions except for fraction C, and the isomerization ratios varied a lot, which seemed to be related to HBCDs residence time. The selective enrichment of (-) α-, (-) β and (-) γ-HBCDs was found in all fractions and this is consistent with that in the whole earthworm. Besides, the extents of enantio-selectivity did not change significantly among different tissue and subcellular fractions. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. An Exceptionally Facile Two-Step Structural Isomerization and Detoxication via a Water-Assisted Double Lossen Rearrangement

    Science.gov (United States)

    Li, Feng; Huang, Chun-Hua; Xie, Lin-Na; Qu, Na; Shao, Jie; Shao, Bo; Zhu, Ben-Zhan

    2016-12-01

    N-hydroxyphthalimide (NHPI), which is best known as an organocatalyst for efficient C-H activation, has been found to be oxidized by quinoid compounds to its corresponding catalytically active nitroxide-radical. Here, we found that NHPI can be isomerized into isatoic anhydride by an unusually facile two-step method using tetrachloro-1,4-benzoquinone (TCBQ, p-chloranil), accompanied by a two-step hydrolytic dechlorination of highly toxic TCBQ into the much less toxic dihydroxylation product, 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone (chloranilic acid). Interestingly, through the complementary application of oxygen-18 isotope-labeling, HPLC combined with electrospray ionization quadrupole time-of-flight and high resolution Fourier transform ion cyclotron resonance mass spectrometric studies, we determined that water was the source and origin of oxygen for isatoic anhydride. Based on these data, we proposed that nucleophilic attack with a subsequent water-assisted Lossen rearrangement coupled with rapid intramolecular addition and cyclization in two consecutive steps was responsible for this unusual structural isomerization of NHPI and concurrent hydroxylation/detoxication of TCBQ. This is the first report of an exceptionally facile double-isomerization of NHPI via an unprecedented water-assisted double-Lossen rearrangement under normal physiological conditions. Our findings may have broad implications for future research on hydroxamic acids and polyhalogenated quinoid carcinogens, two important classes of compounds of major chemical and biological interest.

  17. Isomeric ratios in photonuclear reactions of molybdenum isotopes induced by bremsstrahlung in the giant dipole resonance region

    Science.gov (United States)

    Thiep, Tran Duc; An, Truong Thi; Cuong, Phan Viet; Vinh, Nguyen The; Hue, Bui Minh; Belov, A. G.; Maslov, O. D.; Mishinsky, G. V.; Zhemenik, V. I.

    2017-01-01

    We have determined the isomeric ratios of isomeric pairs 97m,gNb, 95m,gNb and 91m,gMo produced in 98Mo(γ, p)97m,gNb, 96Mo(γ, p)95m,gNb and 92Mo(γ, n)91m,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 97m,gNb from 14 to 19 MeV, for 195m,gNb from14 to 24 MeV except 20 and 23.5 MeV and for 91m,gMo at 14 and 15 MeV are the first time measurements.

  18. Magnetic Alignment Detection Using Existing Charging Facility in Wireless EV Chargers

    Directory of Open Access Journals (Sweden)

    Yabiao Gao

    2016-01-01

    Full Text Available Wireless charging is a promising outlet to promote the electric vehicle (EV industry due to its safe and noncontact manner. Wireless EV chargers require the secondary receiver coil to be well aligned with the primary station for efficient charging, which could require more of the driver’s time and attention when parking a vehicle. Therefore, this paper presents a magnetic alignment system to assist the EV driver during parking. The magnetic alignment approach uses the existing coil and frequency tracking control electronics of wireless chargers to detect the distance between the two coils while using 4 small auxiliary coils for direction and fine adjustment, leading to a cost effective detection method for coil alignment in electric vehicle wireless charging (EVWC. The testing results of a prototype show acceptable measurement correctness and the mean error for ten trials in range detection is within 0.25 cm at three different misalignment conditions (10.5, 15, and 20 cm. The positioning accuracy of coil alignment is within 1.2 cm for three different start positions with the auxiliary coils.

  19. Designing Universitas Indonesia Molina EV Bus Dashboard Using ECQFD and TRIZ

    Science.gov (United States)

    Faiq Pradhila, Muhammad; Suzianti, Amalia; Putri Adinda, Prilly

    2018-01-01

    Universitas Indonesia is involved in the national electric car development program. One of the focus by the research team is to develop the Molina EV Bus which is planned to replace the current operational bus at UI so that it can be more environmental friendly. With UI developing facilities for the disabled, the Molina research team planned to make a new prototype of the Molina EV Bus to contribute to the facilities developed for the disabled. The new prototype is expected to increase the quality of the previous features of the EV Bus, including the dashboard that had been ignored. To support the development of the new prototype, this research was conducted to design a suitable dashboard for the new prototype. Design of the prototype are made using Autodesk Inventor. This research used the integration of ECQFD (Environmentally Conscious Quality Function Deployment) and TRIZ (Theory of Inventive Problem Solving) method. ECQFD was used to translate user needs into quality characteristics based on environmental aspects. TRIZ was used to translate the quality characteristics into technical specifications. This research has generated 3 sustainable, innovative, and user-preferred dashboard design recommendation for the new prototype.

  20. Study of the integrated immune response induced by an inactivated EV71 vaccine.

    Directory of Open Access Journals (Sweden)

    Longding Liu

    Full Text Available Enterovirus 71 (EV71, a major causative agent of hand-foot-and-mouth disease (HFMD, causes outbreaks among children in the Asia-Pacific region. A vaccine is urgently needed. Based on successful pre-clinical work, phase I and II clinical trials of an inactivated EV71 vaccine, which included the participants of 288 and 660 respectively, have been conducted. In the present study, the immune response and the correlated modulation of gene expression in the peripheral blood mononuclear cells (PBMCs of 30 infants (6 to 11 months immunized with this vaccine or placebo and consented to join this study in the phase II clinical trial were analyzed. The results showed significantly greater neutralizing antibody and specific T cell responses in vaccine group after two inoculations on days 0 and 28. Additionally, more than 600 functional genes that were up- or down-regulated in PBMCs were identified by the microarray assay, and these genes included 68 genes associated with the immune response in vaccine group. These results emphasize the gene expression profile of the immune system in response to an inactivated EV71 vaccine in humans and confirmed that such an immune response was generated as the result of the positive mobilization of the immune system. Furthermore, the immune response was not accompanied by the development of a remarkable inflammatory response.NCT01391494 and NCT01512706.

  1. A dominant EV71-specific CD4+ T cell epitope is highly conserved among human enteroviruses.

    Directory of Open Access Journals (Sweden)

    Ruicheng Wei

    Full Text Available CD4+ T cell-mediated immunity plays a central role in determining the immunopathogenesis of viral infections. However, the role of CD4+ T cells in EV71 infection, which causes hand, foot and mouth disease (HFMD, has yet to be elucidated. We applied a sophisticated method to identify promiscuous CD4+ T cell epitopes contained within the sequence of the EV71 polyprotein. Fifteen epitopes were identified, and three of them are dominant ones. The most dominant epitope is highly conserved among enterovirus species, including HFMD-related coxsackieviruses, HFMD-unrelated echoviruses and polioviruses. Furthermore, the CD4+ T cells specific to the epitope indeed cross-reacted with the homolog of poliovirus 3 Sabin. Our findings imply that CD4+ T cell responses to poliovirus following vaccination, or to other enteroviruses to which individuals may be exposed in early childhood, may have a modulating effect on subsequent CD4+ T cell response to EV71 infection or vaccine.

  2. Examining the effect of EVS spending on HCAHPS scores: a value optimization matrix for expense management.

    Science.gov (United States)

    McCaughey, Deirdre; Stalley, Samantha; Williams, Eric

    2013-01-01

    Using the Hospital Consumer Assessment of Healthcare Providers and Systems (HCAHPS) survey the Centers for Medicare & Medicaid Services' Value-Based Purchasing program has now linked patient care experience rating to hospital revenue reimbursement, thereby establishing a key relationship between revenue cycle management and the patient experience. However, little data exist on the effect of hospital resource spending on patient HCAHPS ratings. This article examines environmental services (EVS) expenses and HCAHPS ratings on hospital cleanliness and overall patient experience ratings to determine how these variables are related. No linear relationship between EVS expense spending and HCAHPS ratings was found, but post hoc analysis identified a matrix that differentiated on hospital cleanliness ratings and overall EVS spending. A value score was calculated for each quadrant of the matrix, and it was determined that organizational value derives from management of expense spending rather than pursuit of high HCAHPS scores. A value optimization matrix is introduced, and its four quadrants are described. With increased emphasis on subjective patient experience measures attached to financial consequences, leaders in the healthcare industry must understand the link between expense management and HCAHPS performance. This study has shown that effective operations are derived from the efficient use of resources and are supported by strong leadership, strategic management, and a culture of patient-centered achievement. The capacity of healthcare organizations to identify their unique costs-to-outcomes balance through the value optimization matrix will help provide them with a means to ensure that optimal value is extracted from all expense spending.

  3. [Correlation between thermostability of the xylanase EvXyn11(TS) and its N-terminal disulfide bridge].

    Science.gov (United States)

    Min, Rou; Li, Jianfang; Gao, Shujuan; Zhang, Huimin; Wu, Jing; Wu, Minchen

    2013-04-04

    To reveal the correlation between thermostability of xylanase EvXyn11(TS) and its N-terminal disulfide bridge, an EvXyn11(TS)-encoding gene (Syxyn11) was synthesized and subjected to site-directed mutagenesis. Multiple homology alignment of protein primary structures between the EvXyn11(TS) and several GH family 11 xylanases displayed that, in their N-termini, only EvXyn11(TS) contained a disulfide bridge (Cys5-Cys32), whose effect on the xylanase thermostability was predicted by molecular dynamics simulation. We constructed a gene Syxyn11(M), encoding the mutated xylanase (EvXyn11(M)) without N-terminal disulfide bridge. Then, Syxyn11 and Syxyn11(M) were expressed in Pichia pastoris GS115, and temperature and pH properties of the expressed enzymes were analyzed. The analytical results displayed that the temperature optimum of EvXyn11(M) was 70 degrees C, which was 15 degrees C lower than that of EvXyn11(TS). The half-life (t1/2(90)) of EvXyn11(TS) at 90 degrees C was 32 min, while the t1/2(70) of EvXyn11(M) at 70 degrees C was only 8.0 min. The important role of the N-terminal disulfide bridge on the thermostability of EvXyn11(TS) was first predicted by molecular dynamics simulation, and confirmed by site-directed mutagenesis. This work provided a novel strategy to improve thermostabilities of the mesophilic family 11 xylanases with high specific activities.

  4. Electron Anisotropy as a Signature of Mode Specific Isomerization in Vinylidene

    Science.gov (United States)

    Gibson, Stephen T.; Laws, Benjamin A.; Mabbs, Richard; Neumark, Daniel; Lineberger, Carl; Field, Robert W.

    2016-06-01

    he nature of the isomerization process that turns vinylidene into acetylene has been awaiting advances in experimental methods, to better define fractionation widths beyond those available in the seminal 1989 photoelectron spectrum measurement. This has proven a challenge. The technique of velocity-map imaging (VMI) is one avenue of approach. Images of electrons photodetached from vinylidene negative-ions, at various wavelengths, 1064 nm shown, provide more detail, including unassigned structure, but only an incremental improvement in the instrument line width. Intriguingly, the VMIs demonstrate a mode dependent variation in the electron anisotropy. Most notable in the figure, the inner-ring transition clusters are discontinuously, more isotropic. Electron anisotropy may provide an alternative key to examine the character of vinylidene transitions, mediating the necessity for an extreme resolution measurement. Vibrational dependent anisotropy has previously been observed in diatomic photoelectron spectra, associated with the coupling of electronic and nuclear motions. Research supported by the Australian Research Council Discovery Project Grant DP160102585. K. M. Ervin, J. Ho, and W. C. Lineberger, J. Chem. Phys. 91, 5974 (1989). doi:10.1063/1.457415 M. van Duzor et al. J. Chem. Phys. 133, 174311 (2010). doi:10.1063/1.3493349

  5. 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.

  6. Isomeric Column-Forming Esters and Imides with Varying Curvatures of the Aromatic Plane.

    Science.gov (United States)

    Ferreira, Marli; Moreira, Thamires S; Cristiano, Rodrigo; Gallardo, Hugo; Bentaleb, Ahmed; Dechambenoit, Pierre; Hillard, Elizabeth A; Durola, Fabien; Bock, Harald

    2018-02-09

    Dibenzo[a,j]coronene-tetracarboxylic alkyl esters and imides with either a centrosymmetric bis-peri substitution pattern or a polar bis-ortho substitution pattern form hexagonal columnar mesophases, which in the case of the imides persist at room temperature. The bis-peri isomers are obtained via a two-fold oxidative photocyclization; the bis-ortho isomers are accessed via a glyoxylic Perkin reaction of triphenylene and naphthalene building blocks. Steric congestion between the substituents and the adjacent benzo protrusion in the bis-ortho esters and imides leads to bending of the aromatic plane, which thus avoids twisting. These isomers surprisingly show a more pronounced liquid crystalline behaviour than their non-bent bis-peri homologs, accommodating non-planarity with columnar order by slipped stacking. Whereas both types of ester and the bis-peri imide show an optical behaviour typical for perylene chromophores, the strongly bent bis-ortho imide distinguishes itself notably from them by its absorption spectrum. The electron acceptor strength of the isomeric diimides is found to differ, the hexagonal (peri) diimide having a 0.20 eV lower LUMO energy than the pentagonal (ortho) isomer. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. The Use of Mass Spectrometric Techniques to Differentiate Isobaric and Isomeric Flavonoid Conjugates from Axyris amaranthoides

    Directory of Open Access Journals (Sweden)

    Łukasz Marczak

    2016-09-01

    Full Text Available Flavonoids are a group of compounds that are commonly found in various plants, where they play important roles in many processes, including free radical scavenging and UV protection. These compounds can also act as chemical messengers, physiological regulators or protectants against pathogens in the defense reactions of plants. Flavonoid activity is regulated by the addition of various substituents, usually mono- or oligosaccharides of common sugars, such as glucose, rhamnose or galactose. In some plants, glucuronic acid is attached, and this sugar is often acylated by phenylpropanoic acids. Identification of these compounds and their derivatives is of great importance to understanding their role in plant metabolism and defense mechanisms; this research is important because flavonoids are frequently a significant constituent of the human diet. In this study, we identify the flavonoid conjugates present in Axyris amaranthoides L. extracts and demonstrate the usefulness of high-resolution mass spectrometry (HRMS analyzers for the differentiation of isobaric compounds and the utility of fragmentation spectra for the differentiation of isomeric structures. According to our knowledge, some of the structures, especially dehydrodiferulated conjugates of tricin, whose structures are proposed here have been found for the first time in plant material.

  8. A comparative study of n-hexane isomerization over solid acids catalysts: Sulfated and phosphated zirconia

    Directory of Open Access Journals (Sweden)

    Stojkovic N.

    2012-01-01

    Full Text Available Two series of zirconia based catalysts promoted with either sulfates or phosphates were prepared, calcined at different temperatures (600 and 700°C and evaluated for the n-hexane isomerization reaction. The catalysts with different concentrations of sulfates or phosphates (4 or 10 wt. % were characterized by BET, XRD, SEM methods, and total acidity was evaluated by using the Hammett indicators. Their final catalytic performances were correlated with their physical-chemical properties (surface, structural, textural and morphological. It was found that sulfated zirconia catalyst calcined at lower temperature showed the highest initial activity of all tested catalysts as the result of favorable total acidity, mesopore texture and structural properties. Somewhat lower activity of the sulfated catalyst calcined at higher temperature is related to the content of acid groups partially removed during thermal treatment, thus, lower total acidity, and also to less favorable textural and structural features. Negligible activity of phosphated zirconia catalysts is connected with low total acidity despite the positive status of particular property showing the complexity of the active phase/site formation in the catalyst.

  9. Effect of Concentration on Isomerization of Rhodanine Derivatives of Merocyanine Dyes in Polar Solvents

    Directory of Open Access Journals (Sweden)

    O. P. Dimitriev

    2014-01-01

    Full Text Available Rhodanine derivatives of merocyanine dyes with residues of 1,3,3-trimethyl-3H-indole and 3-ethylbenzothiazoline have been found to possess two molecular forms in diluted solutions of polar solvents such as dimethylformamide, dimethyl sulfoxide, and N-methylpyrrolidinone. The first molecular form was observed to prevail at low concentrations of the dyes, normally up to 10−5 M. The second one prevails at higher concentrations and is displayed through a new band in the electronic absorption spectrum, which is red-shifted with respect to the absorption band of the first form. No similar effect was found for these dyes by use of nonpolar solvents or upon alkyl-substitution of the molecules at nitrogen atom in the rhodanine moiety. We assign the above two forms to different molecular isomers and the analogous spectral changes were shown to take place by light or heat influence which correspond to a typical isomerization effect for the related merocyanine dyes. It is discussed that the isomer transformation is facilitated by the increased mobility of the proton bonded to the nitrogen atom of the rhodanine moiety in the polar environment and the increased amount of dye-dye collisions.

  10. Comparisons of Caenorhabditis Fucosyltransferase Mutants Reveal a Multiplicity of Isomeric N-Glycan Structures

    Science.gov (United States)

    2015-01-01

    Recent studies have shown a remarkable degree of plasticity in the N-glycome of the model nematode Caenorhabditis elegans; ablation of glycosylation-relevant genes can result in radically altered N-glycan profiles despite only minor biological phenotypic effects. Up to four fucose residues and five different linkages of fucose are known on the N-glycans of C. elegans. Due to the complexity in the wild type, we established three mutant strains defective in two core fucosyltransferases each (fut-1;fut-6, fut-1;fut-8, and fut-6;fut-8). Enzymatically released N-glycans were subject to HPLC and MALDI-TOF MS/MS, in combination with various treatments, to verify structural details. The N-glycome of the fut-1;fut-6 mutant was the most complex of the three double-mutant strains due to the extension of the core α1,6-fucose as well as the presence of fucose on the bisecting galactose. In contrast, maximally two fucoses were found on N-glycans of the fut-1;fut-8 and fut-6;fut-8 strains. The different locations and capping of fucose meant that up to 13 isomeric structures, many highly galactosylated, were determined for some single masses. These data not only show the high variability of the N-glycomic capacity of a “simple” nematode but also exemplify the need for multiple approaches to reveal individual glycan structures within complex invertebrate glycomes. PMID:26538210

  11. Chemical and enzymatic reductive activation of acylfulvene to isomeric cytotoxic reactive intermediates.

    Science.gov (United States)

    Pietsch, Kathryn E; Neels, James F; Yu, Xiang; Gong, Jiachang; Sturla, Shana J

    2011-11-21

    Acylfulvenes (AFs), a class of semisynthetic analogues of the sesquiterpene natural product illudin S, are cytotoxic toward cancer cells. The minor structural changes between illudin S and AFs translate to an improved therapeutic window in preclinical cell-based assays and xenograft models. AFs are, therefore, unique tools for addressing the chemical and biochemical basis of cytotoxic selectivity. AFs elicit cytotoxic responses by alkylation of biological targets, including DNA. While AFs are capable of direct alkylation, cytosolic reductive bioactivation to an electrophilic intermediate is correlated with enhanced cytotoxicity. Data obtained in this study illustrate chemical aspects of the process of AF activation. By tracking reaction mechanisms with stable isotope-labeled reagents, enzymatic versus chemical activation pathways for AF were compared for reactions involving the NADPH-dependent enzyme prostaglandin reductase 1 (PTGR1) or sodium borohydride, respectively. These two processes resulted in isomeric products that appear to give rise to similar patterns of DNA modification. The chemically activated isomer has been newly isolated and chemically characterized in this study, including an assessment of its relative stereochemistry and stability at varying pH and under bioassay conditions. In mammalian cancer cells, this chemically activated analogue was shown to not rely on further cellular activation to significantly enhance cytotoxic potency, in contrast to the requirements of AF. On the basis of this study, we anticipate that the chemically activated form of AF will serve as a useful chemical probe for evaluating biomolecular interactions independent of enzyme-mediated activation.

  12. Molecular and cellular specificity of post-translational aminoacyl isomerization in the crustacean hyperglycaemic hormone family.

    Science.gov (United States)

    Ollivaux, Céline; Gallois, Dominique; Amiche, Mohamed; Boscaméric, Maryse; Soyez, Daniel

    2009-09-01

    D-aminoacyl residues have been detected in various animal peptides from several taxa, especially vertebrates and arthropods. This unusual polymorphism was shown to occur in isoforms of the crustacean hyperglycaemic hormone (CHH) of the American lobster because a D-phenylalanyl residue was found in position 3 of the sequence (CHH and D-Phe3 CHH). In the present study, we report the detailed strategy used to characterize, in the lobster neuroendocrine system, isomers of another member of the CHH family, vitellogenesis inhibiting hormone (VIH). We have demonstrated that the fourth residue is either an L- or a D- tryptophanyl residue (VIH and D-Trp4 VIH). Furthermore, use of antisera specifically recognizing the epimers of CHH and VIH reveals that aminoacyl isomerization occurs in specialized cells of the X organ-sinus gland neurosecretory system and that the D-forms of the two neuropeptides are not only present in the same cells, but, importantly, also are co-packaged within the same secretory vesicles.

  13. Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study

    Science.gov (United States)

    Afzali, R.; Vakili, M.; Boluri, E.; Tayyari, S. F.; Nekoei, A.-R.; Hakimi-Tabar, M.; Darugar, V.

    2018-02-01

    An interpretation of the experimental IR and Raman spectra of Aluminum (III) trifluoroacetylacetonate (Al(TFAA)3) complex, which were synthesized by us, is first reported here. The charge distribution, isomerism, strength of metal‑oxygen binding and vibrational spectral properties for this complex structure were theoretically investigated through population analysis, geometry optimization and harmonic frequency calculations, performed at B3LYP/6-311G* level of theory. In the population analysis, two different approaches reffered to as ;Atoms in molecules (AIM);, and ;Natural Bond Orbital (NBO); were used. According to the calculation resuls, the energy difference between the cis and trans isomers of Al(TFAA)3 is very small and indicates that both isomers coexist in the sample in comparable proportions. Comparison of the calculated frequency and intensity data with the observed IR and Raman spectra of the complex has supported this conclusion. On the other hand, comparison of the structural and vibrational spectral data of Al(TFAA)3, which were experimentally measured and calculated at B3LYP/6-311G* level, with the corresponding data of Aluminum acetylacetonate (Al(AA)3) has revealed the effects of CF3 substitution on the structural and vibrational spectral data associated with the CH3 groups in the complex structure.

  14. n-Hexane hydro-isomerization over promoted Pd/HZSM-5 catalysts

    Science.gov (United States)

    Thoa Dao, Thi Kim; Loc Luu, Cam

    2015-09-01

    A series of Pd/HZSM-5 catalysts modified by various metallic species, including Co, Ni, Fe, Re, and Cu, was prepared by sequential impregnation. Contents of Pd and second metals in modified catalysts were 0.8 and 1.0 wt%, respectively. Physico-chemical characteristics of catalysts were investigated by nitrogen physi-sorption (BET), x-ray diffraction (XRD), transmission electron microscopy (TEM), ammonia temperature programmed desorption (NH3-TPD), temperature programmed reduction (TPR) and hydrogen pulse chemisorption (HPC). Coke formation was studied by the method of thermogravimetric analysis (TGA). The activities of catalysts in n-hexane isomerization were studied in a micro-flow reactor under atmospheric pressure at 250 °C, and molar ratio of H2: n-hexane of 5.92. It was found that Co, Ni, Fe, and Re additives exhibited geometric and electronic effects toward Pd/HZSM-5 catalyst, leading to an enhancement of its activity and stability. On the contrary, Cu additive caused Pd/HZSM-5 to become poorer in activity and stability.

  15. Temperature imposed textural and surface synergism affecting the isomerization activity of sulfated zirconia catalysts

    Directory of Open Access Journals (Sweden)

    GORAN BOŠKOVIĆ

    2009-12-01

    Full Text Available Using sulfuric acid as the sulfating agent, two catalyst series were obtained from hydroxide and nitrate precursor with a sulfate loading identical to commercial sulfated hydroxide, i.e., 4.2 mass %. After calcination at 500, 600 and 700 °C, all nine samples had various contents of residual sulfates depending on the origin of the catalyst. Accordingly, their surface properties were different, which, together with various textural properties, govern the formation of the active phase and their catalytic activity in the n-hexane isomerization reaction. The dominant activity and yield of mainly mono-branched isomers were attained in reaction at 200 °C with a commercially sulfated zirconia catalyst calcined at 500 °C. Among the SZ catalyst series synthesized from hydroxide and nitrate, the second according to its activity profile was similar to that of the commercially sulfated one, while samples originating from hydroxide showed some activity only after calcination at 600 °C. This is due to the poorer textural properties of the hydroxide series, necessitating a higher calcination temperature in order to promote the simultaneous decomposition of S-containing species and their re-adsorption into the zirconia matrix following interaction and active phase formation. It seems that the tetragonal zirconia phase was not responsible for the catalytic activity but a synergistic effect of the textural properties of the samples and the sulfate loadings, which determine different acid strengths on the catalyst surface.

  16. 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.

  17. 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;

  18. Excitation function and isomeric ratio of Tc-isotopes from the 93Nb(α, xn) reaction

    Science.gov (United States)

    Kim, K.; Kim, G. N.; Naik, H.; Zaman, M.; Yang, S.-C.; Song, T.-Y.; Guin, R.; Das, S. K.

    2015-03-01

    The excitation functions of 94-96Tc isotopes and independent isomeric ratios of 93m, gTc, 94m, gTc, and 95m, gTc from the 93Nb(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 94-96Tc in the 93Nb(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, gTc, 94m, gTc, and 95m, gTc in the 93Nb(α, xn) reactions from the present work and literature data were compared with similar data in the 93Nb(3He, xn) and 96Mo(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, gTc, 94m, gTc, and 95m, gTc in the 93Nb(α, xn) and 93Nb(3He, xn) reactions are higher than those in the 96Mo(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, gTc, 94m, gTc, and 93m, gTc decrease in all the 93Nb(α, xn), 93Nb(3He, xn) and 96Mo(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.

  19. Excitation function and isomeric ratio of Tc-isotopes from the {sup 93}Nb(α, xn) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K. [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Kim, G.N., E-mail: gnkim@knu.ac.kr [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Naik, H. [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Rediochemistry Division, Bhabha Atomic Research Center, Trombay, Mumbai 400085 (India); Zaman, M. [Department of Physics, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Yang, S.-C.; Song, T.-Y. [Nuclear Data Center, Korea Atomic Energy Research Institute, Daejeon 305-353 (Korea, Republic of); Guin, R.; Das, S.K. [Variable Energy Cyclotron Centre, 1/AF Bidhan Nagar, Kolkata 700064 (India)

    2015-03-15

    The excitation functions of {sup 94–96}Tc isotopes and independent isomeric ratios of {sup 93m, g}Tc, {sup 94m, g}Tc, and {sup 95m, g}Tc from the {sup 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 {sup 94–96}Tc in the {sup 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 {sup 93m, g}Tc, {sup 94m, g}Tc, and {sup 95m, g}Tc in the {sup 93}Nb(α, xn) reactions from the present work and literature data were compared with similar data in the {sup 93}Nb({sup 3}He, xn) and {sup 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 {sup 93m, g}Tc, {sup 94m, g}Tc, and {sup 95m, g}Tc in the {sup 93}Nb(α, xn) and {sup 93}Nb({sup 3}He, xn) reactions are higher than those in the {sup 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 {sup 95m, g}Tc, {sup 94m, g}Tc, and {sup 93m, g}Tc decrease in all the {sup 93}Nb(α, xn), {sup 93}Nb({sup 3}He, xn) and {sup 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.

  20. Crossed molecular beams study of the reaction D+H2 --> DH+H at collision energies of 0.53 and 1.01 eV

    Science.gov (United States)

    Continetti, R. E.; Balko, B. A.; Lee, Y. T.

    1990-10-01

    This paper reports the first product differential cross section (DCS) measurements for the D+H2→DH+H reaction as a function of laboratory (LAB) scattering angle with sufficient resolution to resolve product DH vibrational states. Using a D-atom beam produced by the photodissociation of DI at 248 nm, product velocity and angular distributions were measured at 12 LAB angles at a nominal collision energy of 0.53 eV and at 22 LAB angles at a nominal collision energy of 1.01 eV with a crossed molecular beams apparatus. After correction of the raw product time-of-flight (TOF) spectra for modulated background, a comparison with recent exact quantum mechanical scattering calculations was made using a Monte Carlo simulation of the experimental conditions. The simulation showed that although the theoretical predictions agree qualitatively with the measurements, some significant discrepancies exist. Using the Monte Carlo simulation, a best-fit set of DH(v,j) DCS's which showed good agreement with the measurements was found. At the detailed level of the state-to-state DCS, significant differences were observed between theory and experiment for rotationally excited DH(v, j) products. The discrepancies observed suggest that some regions of the current ab initio H3 potential energy surfaces, particularly the bending potential at high energies, may need further examination.