Science.gov

Sample records for 2s2 1s0 transition

  1. Measurement of the radiative lifetime of the 2s(2)2p(4) (1)S(0) metastable level of neon; a study of forbidden transitions of astrophysical interest

    NASA Astrophysics Data System (ADS)

    Daw, Adrian Nigel

    The radiative lifetime of the 2s22 p4 1S0 metastable level of Ne2+ (Ne III) has been measured to be 223 +/- 11 ms at the 90% confidence level by observing the photons emitted at 1815 Å (181.5 nm) by a decaying population of 1 S0 Ne2+ ions stored in a radio frequency ion trap. This thesis describes the first use of a method to account for any ions lost from the trap and determine the radiative lifetime. Metastable ions were produced by electron bombardment of Ne gas, and rate coefficients for Ne2+ + Ne collisions were also determined. The lifetime measurement is in good agreement with recent calculated values, and has a lower uncertainty than the calculated values. This is the first lifetime measurement for an excited term of a ground configuration ion in the second row of the periodic table. The transition probabilities (A-values) for the forbidden transitions in the ground configurations of these ions are required for astrophysical spectral line intensity ratio diagnostics. Using calculated branching ratios, we estimate that, at the 90% confidence level, A(3P1 - 1S0) = 1.94 +/- 0.17 s-1 for the forbidden line of Ne III at 1815 Å, and A(1D2 - 1S0) = 2.55 +/- 0.19 s-1 for the forbidden line of Ne III at 3344 Å.

  2. Observation of the 1S0 to 3D1 clock transition in 175Lu+

    NASA Astrophysics Data System (ADS)

    Arnold, K. J.; Kaewuam, R.; Roy, A.; Paez, E.; Wang, S.; Barrett, M. D.

    2016-11-01

    We report direct laser spectroscopy of the 1S0 to 3D1 highly-forbidden M1 clock transition in 175Lu+ . Clock operation is demonstrated on three pairs of Zeeman transitions, one pair from each hyperfine manifold of the 3D1 term. We measure the hyperfine intervals of the 3D1 to 10 ppb uncertainty and infer the optical frequency averaged over the three hyperfine transitions to be 353.639 915 952 2 (6 ) THz. The lifetime of the 3D1 state is inferred to be 174-32+23 hours from the M1 coupling strength.

  3. Rotational level involvement in the T1-->S0 intersystem crossing transition in thiophosgene.

    PubMed

    Rashev, Svetoslav; Moule, David C

    2009-04-07

    We propose and develop theoretically a general mechanism for the involvement of rotational motion into the nonradiative transitions that occur in an isolated polyatomic molecule. The treatment is based on the different rotational constants and different (asymmetric top-symmetric top) molecular structures in the two combining electronic states. We focus our attention on the T(1)-->S(0) intersystem crossing (ISC) transition in thiophosgene and show how the rotational mechanism could lead to a considerable enhancement in the effective level density for the process. Inserting the rotational mechanism into our recently developed technique and algorithm for combined spin-orbit coupling+intramolecular vibrational redistribution analysis, we have carried out large-scale calculations that have led to a better understanding of the ISC (T(1)-->S(0)) in thiophosgene.

  4. Observation of the 1S0-3P0 transition in atomic ytterbium for optical clocks and qubit arrays.

    PubMed

    Hong, Tao; Cramer, Claire; Cook, Eryn; Nagourney, Warren; Fortson, E N

    2005-10-01

    We report an observation of the weak 6 1S0-6 3P0 transition in (171,173)Yb as an important step to establishing Yb as a primary candidate for future optical frequency standards, and to open up a new approach for qubits using the 1S0 and 3P0 states of Yb atoms in an optical lattice.

  5. Weak- and hyperfine-interaction-induced 1s2s 1S0 → 1s2 1S0 E1 transition rates of He-like ions

    NASA Astrophysics Data System (ADS)

    Laima, Radžiūtė; Erikas, Gaidamauskas; Gediminas, Gaigalas; Li, Ji-Guang; Dong, Chen-Zhong; Jönsson, Per

    2015-04-01

    Weak- and hyperfine-interaction-induced 1s2s 1S0 → 1s2 1S0 E1 transition rates for the isoelectronic sequence of He-like ions have been calculated using the multi-configuration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction methods. The results should be helpful for the future experimental investigations of parity non-conservation effects. Project supported by the National Natural Science Foundation of China (Grant Nos. 11274254, 11147108, 10979007, U1331122, and U1332206) and in part by the National Basic Research Program of China (Grant No. 2013CB922200).

  6. Spectroscopy of the forbidden 1S0 -->3P0 transition on ultra-cold ytterbium atoms

    NASA Astrophysics Data System (ADS)

    Dareau, Alexandre; Scholl, Matthias; Beaufils, Quentin; Döring, Daniel; Beugnon, Jérôme; Gerbier, Fabrice

    2015-05-01

    Cold atoms in optical lattices are often considered a rich playground for emulating condensed matter systems, since they make it possible to engineer many-body Hamiltonians with tunable parameters. However, one missing feature is the ability to emulate orbital magnetism. Recent proposals for simulating orbital magnetism with neutral atoms rely on a state-dependent optical lattice with laser-driven hopping. Ytterbium, with its long lived metastable state (3P0), is a well-suited candidate for the implementation of such schemes. Addressing the forbidden transition between ytterbium ground (1S0) and meta-stable (3P0) states is experimentally challenging, and requires the use of a laser with stability close to the standards of atomic clocks. I will report on the building of a ultra-narrow laser locked on a high-finesse low-expansion cavity. I will then show how the absolute frequency of the cavity modes can be calibrated by performing high-resolution spectroscopy on molecular iodine, allowing us perform Doppler spectroscopy on the 1S0 -->3P0 transition of an ytterbium BEC.

  7. Ultrastable laser system for spectroscopy of the 1S0-3P0 clock transition in Sr atoms

    NASA Astrophysics Data System (ADS)

    Berdasov, O. I.; Gribov, A. Yu.; Belotelov, G. S.; Pal'chikov, V. G.; Strelkin, S. A.; Khabarova, K. Yu.; Kolachevsky, N. N.; Slyusarev, S. N.

    2017-06-01

    A laser system with a spectral linewidth less than 1 Hz for spectroscopy of the 1S0-3P0 clock transition in strontium atoms has been demonstrated. A semiconductor laser emitting at a wavelength of 698 nm was stabilised to an external high-finesse Fabry-Perot cavity with vibration and temperature compensation near the zero expansion point. After laser cooling to a temperature below 3 μK, 88Sr atoms were loaded into an optical lattice at a magic wavelength of 813 nm. The laser system was used to characterise the 88Sr clock transition by magnetically induced spectroscopy. The resonance spectral width was determined to be 130 ± 17 Hz, which corresponds to a quality factor of 3 × 1012.

  8. Observation of the ^1S0 -- ^3P0 clock transition at 578 nm in atomic Yb

    NASA Astrophysics Data System (ADS)

    Hong, Tao

    2005-05-01

    We report the first observation of the strongly forbidden 6s^2 ^1S0 -- 6s6p ^3P0 transition near 578 nm in atomic Yb, which is weakly† allowed in the odd isotopes (^171, 173Yb) through internal hyperfine coupling† of the nuclear spin.† This transition has been proposed as one of the† primary† candidates for future optical frequency standards using alkaline earth atoms [1]. In our experiment, a 578 nm laser beam strikes cold Yb atoms† held in a magneto-optical trap (MOT). When this light is tuned to resonance† with the clock transition, a decrease in the MOT fluorescence is detected† as atoms are pumped into the metastable ^3P0 state and escape† from the trap. By chopping the MOT and clock beams out of phase, we avoid line shifts and broadening due to near-resonant trap light. Nearby 578 nm iodine lines, observed by Doppler-free† saturated absorption, are used as a frequency reference. †We find the ^ 171Yb transition to be about 2.5 GHz below the first hyperfine component of the iodine line 1852. We will present our measurements of the clock transition frequency, including a determination of the relative shift between the ^171Yb and ^173Yb isotopes.[1]S. G.† Porsev, A. Derevianko, E. N. Fortson, Phys. Rev. A 69, 021403(R)† (2004); H. Katori, in Proc. 6th Symposium Frequency Standards and Metrology, edited by P. Gill (World Scienti.c, Singapore, 2002), pp. 323-330

  9. The S1( 1A1)- S0( 1A1) Electronic Transition of Jet-Cooled o-Difluorobenzene

    NASA Astrophysics Data System (ADS)

    Swinn, Anna K.; Kable, Scott H.

    1998-09-01

    A detailed study of theS1(1A1)-S0(1A1) transition of jet-cooledo-difluorobenzene has been completed using the two techniques of laser-induced fluorescence excitation and dispersed, single vibronic level fluorescence spectroscopy. Analysis of over 60 dispersed fluorescence spectra resulted in both the assignment of 22 excited state vibrational frequencies and the confirmation of 23 ground state frequencies. The spectrum is dominated by Franck-Condon activity in totally symmetric vibrations with long progressions in the ring-breathing mode, ν9. By analogy with benzene and thepara- andmeta-substituted isomers, two vibronic coupling mechanisms are postulated to be responsible for the wealth of weaker symmetry-forbidden structure that has been observed. Single quantum changes inb2vibrations are postulated to appear due to first order vibronic coupling to a higher lyingB2electronic state. Combinations ofb1anda2modes are postulated to appear from second order vibronic coupling to anA1electronic state. This second order coupling causes a pronounced Duschinsky mixing among excited stateb1anda2modes with respect to their ground state counterparts. Franck-Condon factors are calculated for thea1progression-forming modes, anharmonic contributions are evaluated, one strong Fermi resonance is identified and analyzed, and the Duschinsky rotation matrix elements are evaluated for the most strongly affected modes, ν17and ν18. Several transitions in theoDFB-oDFB van der Waals dimer andoDFB-Ar complex are also assigned in the spectrum.

  10. Transitions of the type 2s-2p in oxygenlike Y, Zr, and Nb

    NASA Technical Reports Server (NTRS)

    Behring, W. E.; Brown, C. M.; Feldman, U.; Seely, J. F.; Reader, J.

    1986-01-01

    Transitions of the type 2s-2p in the oxygenlike ions Y XXXII, Zr XXXIII, and Nb XXXIV were identified in spectra recorded at the University of Rochester's Omega laser facility. Solid targets were spherically irradiated by 24 beams of frequency-tripled (351-nm) Nd-glass laser radiation. The spectra were photographed with a 3-m grazing-incidence spectrograph. The identified transitions of the oxygenlike ions are in the range 30 to 73 A. The wavelengths for the magnetic-dipole transitions within the 2s2p4 ground configurations of these ions are predicted from the experimental energy levels.

  11. Measurement of absolute cross sections for excitation of the 2s(2) S-1 -> 2s2p P-1 degrees transition in O+4

    NASA Technical Reports Server (NTRS)

    Smith, S. J.; Djuric, N.; Lozano, J. A.; Berrington, K. A.; Chutjian, A.

    2005-01-01

    Experimental cross sections are reported for the 1s(2)2s(2) S-1 -> 1s(2)2s2p P-1(o) transition in O+4 located at 19.689 eV. Use is made of the electron energy-loss method, using a merged electron-ion beam geometry. The center-of-mass interaction energies for the measurements in the S-1 -> P-1(o) transition are in the range 18 eV ( below the threshold) to 30 eV. Data are compared with other previous electron energy-loss measurements and with results of a 26 term R-matrix calculation that includes fine structure explicitly via the Breit-Pauli Hamiltonian. Clear resonance enhancement is observed in all experimental and theoretical results near the threshold for this S-1 -> P-1(o) transition.

  12. Improved Frequency Measurement of the 1S0-3P0 Clock Transition in 87Sr Using a Cs Fountain Clock as a Transfer Oscillator

    NASA Astrophysics Data System (ADS)

    Tanabe, Takehiko; Akamatsu, Daisuke; Kobayashi, Takumi; Takamizawa, Akifumi; Yanagimachi, Shinya; Ikegami, Takeshi; Suzuyama, Tomonari; Inaba, Hajime; Okubo, Sho; Yasuda, Masami; Hong, Feng-Lei; Onae, Atsushi; Hosaka, Kazumoto

    2015-11-01

    We performed an absolute frequency measurement of the 1S0-3P0 transition in 87Sr with a fractional uncertainty of 1.2 × 10-15, which is less than one-third that of our previous measurement. A caesium fountain atomic clock was used as a transfer oscillator to reduce the uncertainty of the link between a strontium optical lattice clock and the SI second. The absolute value of the transition frequency is 429 228 004 229 873.56(49) Hz.

  13. Successive superconducting transitions and Anderson localization effect in Ta2 S2 C

    NASA Astrophysics Data System (ADS)

    Walter, Jürgen; Suzuki, Itsuko S.; Suzuki, Masatsugu

    2004-08-01

    A complex carbide Ta2S2C consists of van der Waals (vdw)-bonded layers with a stacking sequence along the c axis: ⋯C-Ta-S-vdw-S-Ta-C-⋯ . The magnetic properties of this compound have been studied from dc and ac magnetic susceptibility. Ta2S2C undergoes successive superconducting transitions of a hierachical nature at Tcl=3.61±0.01K [ Hc1(l)(0)=28±2Oe and Hc2(l)(0)=7.7±0.2kOe ] and Tcu=8.9±0.1K [ Hc2(u)(0)=14.0±0.5kOe ]. The intermediate phase between Tcu and Tcl is an intragrain superconductive state occurring in the Ta-C layers in Ta2S2C . The low temperature phase below Tcl is an intergrain superconductive state. The magnetic susceptibility at H well above 10kOe is described by a sum of a diamagnetic susceptibility and a Curie-type behavior. The latter is due to the localized magnetic moments of conduction electrons associated with the Anderson localization effect, occurring in the 1T-TaS2 type structure in Ta2S2C .

  14. Absolute cross sections for near-threshold electron-impact excitation of the 2s 2S-->2p 2P transition in C3+

    NASA Astrophysics Data System (ADS)

    Bannister, M. E.; Chung, Y.-S.; Djurić, N.; Wallbank, B.; Woitke, O.; Zhou, S.; Dunn, G. H.; Smith, A. C.

    1998-01-01

    Absolute total cross sections for electron-impact excitation of the 2s 2S-->2p 2P transition in C3+ were measured from 7.35 eV to 8.45 eV using the merged electron-ion-beams energy-loss technique. The results settle the discrepancy between two previous experiments using the crossed-beams fluorescence method, being in very good agreement with the older results [P. O. Taylor, D. Gregory, G. H. Dunn, R. A. Phaneuf, and D. H. Crandall, Phys. Rev. Lett. 39, 1256 (1977)] but less so with the more recent ones [D. W. Savin, L. D. Gardner, D. B. Reisenfeld, A. R. Young, and J. L. Kohl, Phys. Rev. A 51, 2162 (1995)]. The present measurements are also in good agreement with unitarized Coulomb-Born and close-coupling calculations.

  15. Spectroscopy of ^1S0 -- ^3P1^88Sr Atomic Transition in a 1.06 μm Optical Dipole Trap

    NASA Astrophysics Data System (ADS)

    Martinez de Escobar, Y. N.; Mickelson, P. G.; Traverso, A. J.; Killian, T. C.

    2008-05-01

    We studied the effects of laser light near-resonant with the ^1S0-- ^3P1^88Sr transition in an optical dipole trap (ODT). We observe laser cooling of our ODT atomic sample as the atoms collide in the presence of red-detuned 689 nm light. Heating of the atoms was also observed at a different range of frequency detunings while performing spectroscopy. Both processes were accompanied with atom loss, but the increase of phase space density observed during 689 nm laser cooling could aid pursuits of quantum degeneracy with Sr.

  16. Measurement of Absolute Cross Sections for Excitation of the 2s^2 ^1S - 2s2p ^1P^o Transition in O^4+

    NASA Astrophysics Data System (ADS)

    Smith, Steven J.; Berrington, K. A.

    2005-05-01

    Experimental electron excitation cross sections are reported for the 2s^2 1S - 2s2p^ 1P^o transitions in O^4+ located at 19.689 eV. The JPL electron-cyclotron resonance ion source is utilized [1], along with the electron energy loss method, in a merged electron-ion beams geometry[2]. The center-of-mass interaction energies for the measurements are in the range 18 eV (below threshold) to 30 eV. Data are compared with results of a 26-term R-matrix calculation that includes fine structure explicitly via the Breit-Pauli Hamiltonian [3]. There is good agreement with theoretical results and with previous electron energy-loss measurements [3]. Clear resonance enhancement is observed in both experiment and theoretical results near threshold for this ^1S - ^1P^o transition. J. Lozano and N. Djuric acknowledge support through the NASA-NRC program. This work was carried out at JPL/Caltech and was supported by NASA. [1] J. B. Greenwood, S. J. Smith, A.Chutjian, and E. Pollack, Phys. Rev. A 59 1348, (1999). [2] A. Chutjian, Physica Scripta T110, 203 (2004). [3] M. Bannister et al., Int.J. Mass Spectrometry 192, 39 (1999).

  17. Transitions of the type 2s-2p in highly ionized Cu, Zn, Ga, and Ge

    NASA Technical Reports Server (NTRS)

    Behring, W. E.; Cohen, L.; Seely, J. F.; Feldman, U.; Goldsmith, S.; Richardson, M.

    1985-01-01

    Transitions of the type 2s-2p in the F I, O I, N I, and C I isoelectronic sequences of copper, zinc, gallium, and germanium have been identified in the spectra from plasmas produced by the Omega laser system at the University of Rochester. The wavelengths are in the range 50 to 112 A and are measured using silicon and oxygen lines as wavelength standards for gallium and using several lines from the F I, O I, and Na I isoelectronic sequences as wavelength standards for copper, zinc, and germanium. The energy levels that are determined from the measured wavelengths are also presented. Based on these measurements, the wavelengths for a number of magnetic-dipole transitions within the ground configurations of the F I, O I, and N I isoelectronic sequences are predicted.

  18. VizieR Online Data Catalog: Transition rates on 2s2p3 configurations in N+ (Shen+, 2016)

    NASA Astrophysics Data System (ADS)

    Shen, X.; Liu, J.; Zhou, F.

    2016-07-01

    Wavefunctions were determined using the Multi-Configuration Dirac-Hartree-Fock (MCDHF) method. The core-core, core-valence, valence correlation, Breit interaction and quantum electrodynamics (QED) effects, as well as some higher order correlation effects, were considered to obtain accurate wavelengths (lambda), oscillator strengths (gf) and transition rates (A) of 2s22p2-2s2p3, 2s2p3-2s22pnl (n>=3) and 2s2p3-2s2p23s E1 transitions. (2 data files).

  19. Absolute frequency measurement of the 115In + 5s 2 1S 0-5s5p 3P 0 transition

    NASA Astrophysics Data System (ADS)

    von Zanthier, J.; Abel, J.; Becker, Th.; Fries, M.; Peik, E.; Walther, H.; Holzwarth, R.; Reichert, J.; Udem, Th.; Hänsch, T. W.; Nevsky, A. Yu.; Skvortsov, M. N.; Bagayev, S. N.

    1999-08-01

    We have measured the absolute frequency of the 115In + 5s 2 1S 0-5s5p 3P 0 clock transition at 236.5 nm with an accuracy of 3.3 parts in 10 11. For this measurement, a frequency synthesis chain was used which links the indium clock transition to a methane-stabilized He-Ne laser at 3.39 μm and a Nd:YAG laser at 1064 nm whose second harmonic was locked to a hyperfine component in molecular iodine. A frequency gap in the chain of 1.43 THz at 850 nm was bridged with the help of an optical frequency comb generator. The frequency of the 115In + clock transition was determined to 1 267 402 452 914 (41) kHz, where the accuracy is limited by the uncertainty of the iodine reference. This measurement represents an improvement of more than three orders of magnitude in accuracy compared to previous measurements of the line.

  20. Transitions of the type 2s-2p in fluorinelike and oxygenlike As, Se, Br, and Rb

    NASA Technical Reports Server (NTRS)

    Feldman, U.; Seely, J. F.; Behring, W. E.; Richardson, M. C.; Goldsmith, S.

    1985-01-01

    Transitions of the type 2s-2p in the F I and O I isoelectronic sequences of arsenic, selenium, bromine, and rubidium have been identified in spectra from laser-produced plasmas. Wavelengths in the range 50 to 90 A were measured to an accuracy of 0.01 A or better. The wavelengths of the magnetic-dipole transitions within the ground configurations are predicted.

  1. Transitions of the type 2s-2p in fluorinelike and oxygenlike As, Se, Br, and Rb

    NASA Technical Reports Server (NTRS)

    Feldman, U.; Seely, J. F.; Behring, W. E.; Richardson, M. C.; Goldsmith, S.

    1985-01-01

    Transitions of the type 2s-2p in the F I and O I isoelectronic sequences of arsenic, selenium, bromine, and rubidium have been identified in spectra from laser-produced plasmas. Wavelengths in the range 50 to 90 A were measured to an accuracy of 0.01 A or better. The wavelengths of the magnetic-dipole transitions within the ground configurations are predicted.

  2. Impact of buffer gas quenching on the 1S0 → 1P1 ground-state atomic transition in nobelium

    NASA Astrophysics Data System (ADS)

    Chhetri, Premaditya; Ackermann, Dieter; Backe, Hartmut; Block, Michael; Cheal, Bradley; Düllmann, Christoph Emanuel; Even, Julia; Ferrer, Rafael; Giacoppo, Francesca; Götz, Stefan; Heßberger, Fritz Peter; Kaleja, Oliver; Khuyagbaatar, Jadambaa; Kunz, Peter; Laatiaoui, Mustapha; Lautenschläger, Felix; Lauth, Werner; Ramirez, Enrique Minaya; Mistry, Andrew Kishor; Raeder, Sebastian; Wraith, Calvin; Walther, Thomas; Yakushev, Alexander

    2017-07-01

    Using the sensitive Radiation Detected Resonance Ionization Spectroscopy (RADRIS) technique an optical transition in neutral nobelium (No, Z = 102) was identified. A remnant signal when delaying the ionizing laser indicated the influence of a strong buffer gas induced de-excitation of the optically populated level. A subsequent investigation of the chemical homologue, ytterbium (Yb, Z = 70), enabled a detailed study of the atomic levels involved in this process, leading to the development of a rate equation model. This paves the way for characterizing resonance ionization spectroscopy (RIS) schemes used in the study of nobelium and beyond, where atomic properties are currently unknown.

  3. Absolute cross sections for excitation of the 2s 2S-->2p 2P transition in B2+ and for electron-impact single ionization of B2+

    NASA Astrophysics Data System (ADS)

    Woitke, O.; Djurić, N.; Dunn, G. H.; Bannister, M. E.; Smith, A. C.; Wallbank, B.; Badnell, N. R.; Pindzola, M. S.

    1998-12-01

    Absolute cross sections for electron-impact excitation of the 2s 2S-->2p 2P transition of B2+ measured between 5.4 and 7.0 eV are presented. The results are in good agreement with the R-matrix-with-pseudostates (RMPS) calculation of Marchalant et al. [J. Phys. B 30, L435 (1997)]. Also presented are cross sections for electron-impact single ionization of B2+, including measurements between 25 and 200 eV and calculations using the RMPS and time-dependent close-coupling methods. The measured ionization cross sections are about 14% higher near the peak than previous measurements by Crandall et al. [Phys. Rev. A 34, 1757 (1986)], but agree well with experimental data of Hofmann et al. [Z. Phys. D 16, 113 (1990)] and with the present and other theoretical predictions.

  4. Absolute measurement of the 1S0 − 3P0 clock transition in neutral 88Sr over the 330 km-long stabilized fibre optic link

    PubMed Central

    Morzyński, Piotr; Bober, Marcin; Bartoszek-Bober, Dobrosława; Nawrocki, Jerzy; Krehlik, Przemysław; Śliwczyński, Łukasz; Lipiński, Marcin; Masłowski, Piotr; Cygan, Agata; Dunst, Piotr; Garus, Michał; Lisak, Daniel; Zachorowski, Jerzy; Gawlik, Wojciech; Radzewicz, Czesław; Ciuryło, Roman; Zawada, Michał

    2015-01-01

    We report a stability below 7 × 10−17 of two independent optical lattice clocks operating with bosonic 88Sr isotope. The value (429 228 066 418 008.3(1.9)syst (0.9)stat Hz) of the absolute frequency of the 1S0 – 3P0 transition was measured with an optical frequency comb referenced to the local representation of the UTC by the 330 km-long stabilized fibre optical link. The result was verified by series of measurements on two independent optical lattice clocks and agrees with recommendation of Bureau International des Poids et Mesures. PMID:26639347

  5. Absolute measurement of the 1S0 - 3P0 clock transition in neutral 88Sr over the 330 km-long stabilized fibre optic link.

    PubMed

    Morzyński, Piotr; Bober, Marcin; Bartoszek-Bober, Dobrosława; Nawrocki, Jerzy; Krehlik, Przemysław; Śliwczyński, Łukasz; Lipiński, Marcin; Masłowski, Piotr; Cygan, Agata; Dunst, Piotr; Garus, Michał; Lisak, Daniel; Zachorowski, Jerzy; Gawlik, Wojciech; Radzewicz, Czesław; Ciuryło, Roman; Zawada, Michał

    2015-12-07

    We report a stability below 7 × 10(-17) of two independent optical lattice clocks operating with bosonic (88)Sr isotope. The value (429 228 066 418 008.3(1.9)(syst) (0.9)(stat) Hz) of the absolute frequency of the (1)S(0) - (3)P(0) transition was measured with an optical frequency comb referenced to the local representation of the UTC by the 330 km-long stabilized fibre optical link. The result was verified by series of measurements on two independent optical lattice clocks and agrees with recommendation of Bureau International des Poids et Mesures.

  6. Successive superconducting transitions in Ta2S2C studied by electrical resistivity and nonlinear ac magnetic susceptibility

    NASA Astrophysics Data System (ADS)

    Suzuki, Masatsugu; Suzuki, Itsuko S.; Noji, Takashi; Koike, Yoji; Walter, Jürgen

    2007-05-01

    Ta2S2C compound undergoes superconducting transitions at Tcl=3.60±0.02K and Tcu=9.0±0.2K . The nature of successive superconducting transitions has been studied from electrical resistivity and linear and nonlinear ac magnetic susceptibilities. The resistivity ρ at H=0 shows a local maximum near Tcu , a kinklike behavior around Tcl , and reduces to zero at below T0=2.1K . The lnT dependence of ρ is observed at H=50kOe at low temperatures, which is due to a two-dimensional weak-localization effect. Below Tcu , a two-dimensional superconducting phase occurs in each TaC layer. The linear and nonlinear susceptibilities χ1″ , χ3' , χ5' , and χ7' as well as the difference δχ (=χFC-χZFC) between the field-cooled (FC) and zero-field-cooled (ZFC) susceptibilities start to appear below 6.0K , the onset temperature of irreversibility. A drastic growth of the in-plane superconducting coherence length below 6.0K gives rise to a three-dimensional superconducting phase below Tcl through interplanar Josephson couplings between adjacent TaC layers. The oscillatory behavior of χ3″ , χ5″ , and χ7″ below Tcl is related to the nonlinear behavior arising from the thermally activated flux flow.

  7. Oscillator strengths for 1s2 1S0-1s2p 3P1,2 transitions in helium-like carbon, nitrogen and oxygen including the effects of a finite nuclear mass

    NASA Astrophysics Data System (ADS)

    Morton, Donald C.; Drake, G. W. F.

    2016-12-01

    We have calculated the electric dipole (E1) and magnetic quadrupole (M2) oscillator strengths and spontaneous decay rates for the 1{{{s}}}2{}1{{{S}}}0{--}1{{s}}2{{p}}{}3{{{P}}}{1,2} spin-changing transitions of helium-like C v, N vi and O vii. We added the effects of the finite nuclear mass and the anomalous magnetic moment of the electron including an extra term derived by Pachucki. For the E1 calculations we used the Breit approximation and pseudostate expansions to perform the perturbation sums over intermediate states in both the length and velocity gauge as a check on numerical accuracy and the validity of the transition operators. There is some cancellation in the corrections for the nuclear mass and the electron anomaly so that if one is included the other should not be ignored

  8. Multi-configuration Dirac-Hartree-Fock calculations of the transition rates of 2s22p2 - 2s2p3 and 2s2p3 - 2s22pnl (n ≥ 3) E1 transitions of N+

    NASA Astrophysics Data System (ADS)

    Shen, Xiaozhi; Liu, Juan; Zhou, Fuyang

    2016-10-01

    Wavefunctions were determined using the multi-configuration Dirac-Hartree-Fock method. The core-core, core-valence, valence correlation, Breit interaction and quantum electrodynamics effects, as well as some higher-order correlation effects, were considered to obtain accurate wavelengths (λ), oscillator strengths (gf) and transition rates (A) of 2s22p2 - 2s2p3, 2s2p3 - 2s22pnl (n ≥ 3) and 2s2p3 - 2s2p23s E1 transitions. The branching ratio of 2s2p3 5S^o_2 (namely Aλ2143.45/Aλ2139.68) based on the latest calculation of 2.462 ± 0.119 is recommended for the determination of a nebula's electron temperature and electron density. The largest calculated gf value of 2s2p3 - 2s22p4p is λ630.65, differing from that of λ1060.2 (i.e. 2s2p3 3P^o_2 - 2s22p4p 3S1) that was observed with the largest intensities in the Orion Nebula spectrum. In addition, the energy levels and the splittings of 2s2p3, the extremely difficult calculations of the rates of two-electron one-photon transitions as well as those of the very small intercombination A of 2s2p3 5S^o_2 were studied in detail. Because of the weak spin-orbit interaction, accurately calculating the levels 3P^o_{1,2,0} (or 3D^o_{3,2,1}) and their transition matrix elements is very sensitive to relativistic and electron correlation effects. A special case for this is when the transition operators synchronously applied to wavefunctions with regard to 2s2p3 3Po and 2s22pnl (n = 4) become extremely sensitive to some higher-order correlation effects.

  9. Transition probabilities for the Au ((2)S, (2)D, and (2)P) with SiH(4) reaction.

    PubMed

    Pacheco-Sánchez, J H; Luna-García, H M; García-Cruz, L M; Novaro, O

    2010-01-28

    Transition probabilities on the interaction of the ground and the lowest excited states of gold Au ((2)S:5d(10)6s(1), (2)D:5d(9)6s(2), and (2)P:5d(10)6p(1)) with silane (SiH(4)) are studied through ab initio Hartree-Fock self-consistent field calculations, where the atom's core is represented by relativistic effective core potentials. These calculations are followed by a multiconfigurational self-consistent field study. The correlation energy is accounted for through extensive variational and perturbative second order multireference Moller-Plesset configuration interaction analysis of selected perturbations obtained by iterative process calculations using the CIPSI program package. It is found that the Au atom in the ((2)P:5d(10)6p(1)) state inserts in the Si-H bond. In this interaction its corresponding D (2)A(') potential energy surface is initially attractive and only becomes repulsive after encountering an avoided crossing with the initially repulsive C (2)A(') surface linked to the Au((2)D:5d(9)6s(2))-SiH(4) fragments. The A, B, and C (2)A(') curves derived from the Au((2)D:5d(9)6s(2)) atom interaction with silane are initially repulsive, each one of them showing two avoided crossings, while the A (2)A(') curve goes sharply downwards until it meets the X (2)A(') curve interacting adiabatically, which is linked with the Au((2)S:5d(10)6s(1))-SiH(4) moieties. The A (2)A(') curve becomes repulsive after the avoided crossing with the X (2)A('), curve. The lowest-lying X (2)A(') potential leads to the HAuSiH(3) X (2)A(') intermediate molecule. This intermediate molecule, diabatically correlated with the Au((2)P:5d(10)6p(1))+SiH(4) system which lies 3.34 kcal/mol above the ground state reactants, has been carefully characterized as have the dissociation channels leading to the AuH+SiH(3) and H+AuSiH(3) products. These products are reached from the HAuSiH(3) intermediate without any activation barrier. The Au-SiH(4) calculation results are successfully compared to

  10. Measurements of radiative-decay rates of the 2s22p(2P°)-2s2p2(4P) intersystem transitions of C+

    NASA Astrophysics Data System (ADS)

    Fang, Z.; Kwong, Victor H. S.; Wang, Jiebing; Parkinson, W. H.

    1993-08-01

    The radiative-decay rates of the 2s22p(2P0)-2s2p2(4P) intersystem transitions of C+ ions have been measured by recording the time dependence of the ~233-nm emission. A cylindrical radio-frequency ion trap was used to store electron-impact-produced C+ ions. The time-dependent signals were analyzed by multiexponential least-squares fits to the data. The measured radiative-decay rates to the ground term are 146.4(+8.3,-9.2) s-1 for 4P1/2, 11.6(+0.8,-1.7) s-1 for 4P3/2, and 51.2(+2.6,-3.5) s-1 for 4P5/2. Comparison of the measured values with theoretical values is presented.

  11. Ab initio oscillator strengths and transition probabilities of transitions from 2s{sup 2}2p{sup 2}3l and 2s2p{sup 3}3l in S X

    SciTech Connect

    Karpuskiene, R. . E-mail: karra@itpa.lt; Bogdanovich, P.; Udris, A.

    2005-01-01

    Ab initio energy spectra of the ground configuration 2s{sup 2}2p{sup 3} and the excited configurations 2s2p{sup 4}, 2p{sup 5}, 2s{sup 2}2p{sup 2}3s, 2s{sup 2}2p{sup 2}3p, 2s{sup 2}2p{sup 2}3d, 2s2p{sup 3}3s, 2s2p{sup 3}3p, and 2s2p{sup 3}3d of nitrogen-like sulphur S X have been calculated using the configuration interaction method. The wavelengths, oscillator strengths, and the emission transition probabilities from configurations 2s{sup 2}2p{sup 2}3l and 2s2p{sup 3}3l are obtained. The calculated results are compared with the recent experimental data.

  12. Synthesis and spectroscopic characterization of some transition metal complexes of a new hexadentate N(2)S(2)O(2) Schiff base ligand.

    PubMed

    Sarkar, Saikat; Dey, Kamalendu

    2005-11-01

    A novel interesting hexadentate dibasic N(2)S(2)O(2) donor Schiff base ligand, H(4)dcsalpte, was synthesized by the condensation of 3-formylsalicylic acid and 1,2-di(o-aminophenylthio)ethane and characterized. The reactions of the ligand with different metal(II/III)salts under varied reaction conditions afforded a series of metal complexes. The ligand, H(4)dcsalpte, behaves either as a dibasic or neutral hexadentate one, depending on the reaction conditions. Structural investigations on the ligand and their complexes have been made based on elemental analyses, molar conductance values, magnetic moment values, cryomagnetic and spectral (UV-vis, IR, (1)H NMR, and Mössbauer) data. Based on magnetic susceptibility, Mössbauer and electronic spectral data the iron(III) complex [Fe(III)(H(2)dcsalpte)]ClO(4) (8), isolated in the present investigation, it is inferred that the spin states 5/2 and 1/2 are in equilibrium. Similarly a tri-iron(III) complex [Fe(III)(3)(H(2)dcsalpte)(H(3)dcsalpte)Cl(3)]Cl(3) (7), isolated in this study, has been inferred to contain two iron(III) sites in tetrahedral environment and one in the octahedral environment. The aerial oxidation of an equimolar mixture of H(4)dcsalpte and Co(CH(3)COO)(2).4H(2)O in ethanol under reflux gave two products, [Co(H(2)dcsalpte)]CH(3)COO (10) and [(Hbtcsaldm)Co(Hbvcsaldm)] (11), a cobalt(III) complex bound to two dissimilar tridentate NSO donor ligands formed as a result of the oxidative cleavage of the CS bond. In the complex 11, Hbtcsaldm stands for the dianion of the tridentate Schiff base ligand N-(2'-benzenethiol)-3-carboxysalicylaldimine and Hbvcsaldm stands for the mono anion of the tridentate Schiff base ligand N-(benzene-2'-S-vinyl)-3-carboxysalicylaldimine, both being formed as a result of the oxidative cleavage of H(4)dcsalpte.

  13. The Moment Analysis Method as Applied to the 2S-2P Transition in Cryogenic Alkali Metal/Rare Gas Matrices (PREPRINT)

    DTIC Science & Technology

    2005-12-05

    spectroscopy of alkali metal atoms trapped in cryogenic noble gas matrices. Master’s thesis, Eastern New Mexico University, 1993. [31] J. W...Cryogenic Alkali Metal/Rare Gas Matrices (PREPRINT) 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Heidi A. Terrill Vosbein (Stennis...the case of 2 S→2P ([core]ns1→[core]np1) transitions of alkali metal atoms (M) doped into cryogenic rare gas (Rg) matrices using theoretically

  14. Breit-Pauli energy levels belonging to 2p 4, 2s2p 5, 2p 6, 2p 33ℓ configurations and all E1 transitions among these levels in Mg V

    NASA Astrophysics Data System (ADS)

    Deb, N. C.; Hibbert, A.

    2007-07-01

    We present accurate oscillator strengths, line strengths and radiative rates for 1073 E1 transitions among the 86 levels belonging to 2s 22p 4, 2s2p 5, 2p 6, and 2s 22p 3( 4S o, 2D o, 2P o)3ℓ configurations in Mg V. We have used 1s and 2s Hartree-Fock orbitals, re-optimized 2p on 2p 3( 2D o)3s 3D o and optimized 3s,3p,3d orbitals on real states. Sixteen additional orbitals up to 8d are optimized either as a correction to n = 3 physical orbitals or as a correlation orbital. A very large set of configurations including up to three electron promotions are used to account for all important correlation effects. All of the main five terms in the Breit-Pauli operator (except the orbit-orbit interaction) are included in order to account for the relativistic effects. Small adjustments to the diagonal elements of the Hamiltonian matrix are made to bring the calculated energies within a few cm -1 of the corresponding NIST recommended data wherever available. The calculated oscillator strengths, line strengths, and radiative rates for almost all of the E1 transitions show excellent agreement with the corresponding MCDF results of Fischer. The recent results of Bhatia et al. are found to be consistently higher by 20-45%. The accuracy of the present calculation is considered to be better than the NIST accuracy ratings for various transitions.

  15. Precision frequency measurement of 1S0-3P1 intercombination lines of Sr isotopes

    NASA Astrophysics Data System (ADS)

    Liu, Hui; Gao, Feng; Ye-Bing, Wang; Xiao, Tian; Jie, Ren; Ben-Quan, Lu; Qin-Fang, Xu; Yu-Lin, Xie; Hong, Chang

    2015-01-01

    We report on frequency measurement of the intercombination (5s2)1S0-(5s5p)3P1 transition of the four natural isotopes of strontium, including 88Sr (82.58%), 87Sr (7.0%), 86Sr (9.86%), and 84Sr (0.56%). A narrow-linewidth laser that is locked to an ultra-low expansion (ULE) optical cavity with a finesse of 12000 is evaluated at a linewidth of 200 Hz with a fractional frequency drift of 2.8×10-13 at an integration time of 1 s. The fluorescence collector and detector are specially designed, based on a thermal atomic beam. Using a double-pass acousto-optic modulator (AOM) combined with a fiber and laser power stabilization configuration to detune the laser frequency enables high signal-to-noise ratios and precision saturated spectra to be obtained for the six transition lines, which allows us to determine the transition frequency precisely. The optical frequency is measured using an optical frequency synthesizer referenced to an H maser. Both the statistical values and the final values, including the corrections and uncertainties, are derived for a comparison with the values given in other works. Project supported by the National Natural Science Foundation of China (Grant No. 61127901) and the Key Project of the Chinese Academy of Sciences (Grant No. KJZD-EW-W02).

  16. The splitting and oscillator strengths for the 2S/2/S-2p/2/P/0/ doublet in lithium-like sulfur. [during Skylab observed solar flares

    NASA Technical Reports Server (NTRS)

    Pegg, D. J.; Forester, J. P.; Elston, S. B.; Griffin, P. M.; Peterson, R. S.; Thoe, R. S.; Vane, C. R.; Sellin, I. A.; Groeneveld, K.-O.

    1977-01-01

    The beam-foil technique has been used to study the 2S(2)S-2p(2)P(0) doublet in S XIV. The results confirm the doublet splitting measured aboard Skylab during solar flare events. In addition, the oscillator strengths for the resonance transitions comprising this doublet have been measured and found to agree well with recent relativistic f-value calculations.

  17. Microscopic study of 1S0 superfluidity in dilute neutron matter

    NASA Astrophysics Data System (ADS)

    Pavlou, G. E.; Mavrommatis, E.; Moustakidis, Ch.; Clark, J. W.

    2017-05-01

    Singlet S -wave superfluidity of dilute neutron matter is studied within the correlated BCS method, which takes into account both pairing and short-range correlations. First, the equation of state (EOS) of normal neutron matter is calculated within the Correlated Basis Function (CBF) method in the lowest cluster order using the 1 S 0 and 3 P components of the Argonne V_{18} potential, assuming trial Jastrow-type correlation functions. The 1 S 0 superfluid gap is then calculated with the corresponding component of the Argonne V_{18} potential and the optimally determined correlation functions. The dependence of our results on the chosen forms for the correlation functions is studied, and the role of the P -wave channel is investigated. Where comparison is meaningful, the values obtained for the 1 S 0 gap within this simplified scheme are consistent with the results of similar and more elaborate microscopic methods.

  18. Energies, E1, M1, and E2 transition rates, hyperfine structures, and Lande g{sub J} factors for states of the 2s{sup 2}2p{sup 2}, 2s2p{sup 3}, and 2p{sup 4} configurations in carbon-like ions between F IV and Ni XXIII

    SciTech Connect

    Joensson, P.; Rynkun, P.; Gaigalas, G.

    2011-11-15

    Energies, electric dipole, magnetic dipole, and electric quadrupole transition rates, hyperfine structures, and Lande g{sub J} factors from relativistic configuration interaction calculations are reported for the states of the (1s{sup 2})2s{sup 2}2p{sup 2}, 2s2p{sup 3}, and 2p{sup 4} configurations in all carbon-like ions between F IV and Ni XXIII. Valence, core-valence, and core-core correlation effects were accounted for through single/double-excitation-multireference expansions to increasing sets of active orbitals. The calculated energy levels generally agree within a few hundred cm{sup -1} with the experimentally compiled results, and the Babushkin (length), and Coulomb (velocity) forms of transition rates agree within less than 1% for a majority of the allowed transitions.

  19. Energies and E1, M1, E2, M2 transition rates for states of the 2s{sup 2}2p, 2s2p{sup 2}, and 2p{sup 3} configurations in boron-like ions between N III and Zn XXVI

    SciTech Connect

    Rynkun, P.; Joensson, P.; Gaigalas, G.; Froese Fischer, C.

    2012-07-15

    Energies, E1, M1, E2, M2 transition rates, line strengths, oscillator strengths, and lifetimes from relativistic configuration interaction calculations are reported for the states of the (1s{sup 2})2s{sup 2}2p, 2s2p{sup 2}, and 2p{sup 3} configurations in all boron-like ions between N III and Zn XXVI. Valence, core-valence, and core-core correlation effects were accounted for through single-double multireference (SD-MR) expansions to increasing sets of active orbitals.

  20. Nucleon-nucleon scattering in the 1S0 partial wave in the modified Weinberg approach

    NASA Astrophysics Data System (ADS)

    Gasparyan, A. M.; Epelbaum, E.; Gegelia, J.; Krebs, H.

    2016-03-01

    Nucleon-nucleon scattering in the 1S0 partial wave is considered in chiral effective field theory within the recently suggested renormalizable formulation based on the Kadyshevsky equation. Contact interactions are taken into account beyond the leading-order approximation. The subleading contact terms are included non-perturbatively by means of subtractive renormalization. The dependence of the phase shifts on the choice of the renormalization condition is discussed. Perturbative inclusion of the subleading contact interaction is found to be justified only very close to threshold. The low-energy theorems are reproduced significantly better compared with the leading order results.

  1. Energies and E1, M1, E2, and M2 transition rates for states of the 2s22p3, 2s2p4, and 2p5 configurations in nitrogen-like ions between F III and Kr XXX

    NASA Astrophysics Data System (ADS)

    Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.

    2014-03-01

    Based on relativistic wavefunctions from multiconfiguration Dirac-Hartree-Fock and configuration interaction calculations, E1, M1, E2, and M2 transition rates, weighted oscillator strengths, and lifetimes are evaluated for the states of the (1s2)2s22p3,2s2p4, and 2p5 configurations in all nitrogen-like ions between F III and Kr XXX. The wavefunction expansions include valence, core-valence, and core-core correlation effects through single-double multireference expansions to increasing sets of active orbitals. The computed energies agree very well with experimental values, with differences of only 300-600 cm-1 for the majority of the levels and ions in the sequence. Computed transitions rates are in close agreement with available data from MCHF-BP calculations by Tachiev and Froese Fischer [G.I. Tachiev, C. Froese Fischer, A&A 385 (2002) 716].

  2. A global picture of the S 1/S 0 conical intersection seam of benzene

    NASA Astrophysics Data System (ADS)

    Li, Quansong; Mendive-Tapia, David; Paterson, Martin J.; Migani, Annapaola; Bearpark, Michael J.; Robb, Michael A.; Blancafort, Lluís

    2010-11-01

    A global picture of the S 1/S 0 intersection seam of benzene is presented. Eleven new conical intersection critical points were located at the CASSCF level, the connectivity was mapped and the energies refined with CASPT 2. There are two seam branches related with pairs of degenerate A1g/ B2u and E g states at D6h symmetry, respectively, and the two branches are connected by a seam segment of C s symmetry. The global energy minimum of the seam is the half-boat shaped intersection that leads to a pre-fulvenic intermediate [I.J. Palmer, I.N. Ragazos, F. Bernardi, M. Olivucci, M.A. Robb, J. Am. Chem. Soc. 115 (1993) 673]. Several other intersections that can lead to the same intermediate or vibrationally hot benzene lie in a range of 3.7 eV above the global seam minimum. There is a recurrent connectivity pattern where permutationally isomeric seam segments are connected by intersections of a higher symmetry point group.

  3. Rotationally resolved S1<-- S0 electronic spectra of fluorene, carbazole, and dibenzofuran: evidence for Herzberg-Teller coupling with the S2 state.

    PubMed

    Yi, John T; Alvarez-Valtierra, Leonardo; Pratt, David W

    2006-06-28

    Rotationally resolved fluorescence excitation spectra of the S1 <-- S0 origin bands and higher vibronic bands of fluorene (FLU), carbazole (CAR), and dibenzofuran (DBF) have been observed and assigned. Analyses of these data show that replacement of the CH2 group in FLU with a NH group in CAR and an O atom in DBF produces only localized changes in structure, in the ground state. But the three molecules exhibit different changes in geometry when they are excited by light. The S1 states of the three molecules also are electronically very different. The S1 <-- S0 transition moments of CAR and DBF are parallel to the C2 symmetry axis whereas the corresponding transition moment in FLU is perpendicular to this axis. Herzberg-Teller coupling involving the S2 state also has been observed in the spectra of higher vibronic bands of CAR and DBF. Possible reasons for these behaviors are discussed.

  4. Energies and E1, M1, E2, and M2 transition rates for states of the 2s{sup 2}2p{sup 3}, 2s2p{sup 4}, and 2p{sup 5} configurations in nitrogen-like ions between F III and Kr XXX

    SciTech Connect

    Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.

    2014-03-15

    Based on relativistic wavefunctions from multiconfiguration Dirac–Hartree–Fock and configuration interaction calculations, E1, M1, E2, and M2 transition rates, weighted oscillator strengths, and lifetimes are evaluated for the states of the (1s{sup 2})2s{sup 2}2p{sup 3},2s2p{sup 4}, and 2p{sup 5} configurations in all nitrogen-like ions between F III and Kr XXX. The wavefunction expansions include valence, core–valence, and core–core correlation effects through single–double multireference expansions to increasing sets of active orbitals. The computed energies agree very well with experimental values, with differences of only 300–600 cm{sup −1} for the majority of the levels and ions in the sequence. Computed transitions rates are in close agreement with available data from MCHF-BP calculations by Tachiev and Froese Fischer [G.I. Tachiev, C. Froese Fischer, A and A 385 (2002) 716].

  5. Effects of tensor couplings of ω and ρ mesons on 1S0 nucleon superfluidity in neutron star matter

    NASA Astrophysics Data System (ADS)

    Huang, Xiu-Lin; Xu, Yan; Liu, Cheng-Zhi; Liu, Guang-Zhou

    2016-03-01

    The 1S 0 nucleon superfluidity in neutron star matter was investigated in the framework of relativistic σ-ω-π-ρ model with the tensor couplings of ω and ρ mesons using the relativistic Hartree-Fock (RHF) approximation. It was found that the tensor couplings of ω and ρ mesons lead to a clear growth of the 1S 0 neutron pairing gap in the density range where there exists 1S 0 neutron superfluidity. The 1S 0 pairing gap of proton with the tensor couplings of ω and ρ mesons in the density range of ρB = 0.0-0.079fm-3 is lower and then in the density range of ρB = 0.079-0.383fm-3 higher than the corresponding value without the tensor couplings of ω and ρ mesons. Our results provide a basic to understand the influence of the tensor couplings of ω and ρ mesons on the cooling properties of neutron star.

  6. Binding H2, N2, H-, and BH3 to transition-metal sulfur sites: synthesis and properties of [RuL(PR3)(N2Me2S2)] Complexes (L=eta2-H2, H-, BH3; R=Cy, iPr).

    PubMed

    Sellmann, D; Hille, A; Heinemann, F W; Moll, M; Reiher, M; Hess, B A; Bauer, W

    2004-09-06

    The reactions of [Ru(N(2))(PR(3))('N(2)Me(2)S(2)')] ['N(2)Me(2)S(2)'=1,2-ethanediamine-N,N'-dimethyl-N,N'-bis(2-benzenethiolate)(2-)] [1 a (R=iPr), 1 b (R=Cy)] and [micro-N(2)[Ru(N(2))(PiPr(3))('N(2)Me(2)S(2)')](2)] (1 c) with H(2), NaBH(4), and NBu(4)BH(4), intended to reduce the N(2) ligands, led to substitution of N(2) and formation of the new complexes [Ru(H(2))(PR(3))('N(2)Me(2)S(2)')] [2 a (R=iPr), 2 b (R=Cy)], [Ru(BH(3))(PR(3))('N(2)Me(2)S(2)')] [3 a (R=iPr), 3 b (R=Cy)], and [Ru(H)(PR(3))('N(2)Me(2)S(2)')](-) [4 a (R=iPr), 4 b (R=Cy)]. The BH(3) and hydride complexes 3 a, 3 b, 4 a, and 4 b were obtained subsequently by rational synthesis from 1 a or 1 b and BH(3).THF or LiBEt(3)H. The primary step in all reactions probably is the dissociation of N(2) from the N(2) complexes to give coordinatively unsaturated [Ru(PR(3))('N(2)Me(2)S(2)')] fragments that add H(2), BH(4) (-), BH(3), or H(-). All complexes were completely characterized by elemental analysis and common spectroscopic methods. The molecular structures of [Ru(H(2))(PR(3))('N(2)Me(2)S(2)')] [2 a (R=iPr), 2 b (R=Cy)], [Ru(BH(3))(PiPr(3))('N(2)Me(2)S(2)')] (3 a), [Li(THF)(2)][Ru(H)(PiPr(3))('N(2)Me(2)S(2)')] ([Li(THF)(2)]-4 a), and NBu(4)[Ru(H)(PCy(3))('N(2)Me(2)S(2)')] (NBu(4)-4 b) were determined by X-ray crystal structure analysis. Measurements of the NMR relaxation time T(1) corroborated the eta(2) bonding mode of the H(2) ligands in 2 a (T(1)=35 ms) and 2 b (T(1)=21 ms). The H,D coupling constants of the analogous HD complexes HD-2 a ((1)J(H,D)=26.0 Hz) and HD-2 b ((1)J(H,D)=25.9 Hz) enabled calculation of the H--D distances, which agreed with the values found by X-ray crystal structure analysis (2 a: 92 pm (X-ray) versus 98 pm (calculated), 2 b: 99 versus 98 pm). The BH(3) entities in 3 a and 3 b bind to one thiolate donor of the [Ru(PR(3))('N(2)Me(2)S(2)')] fragment and through a B-H-Ru bond to the Ru center. The hydride complex anions 4 a and 4 b are extremely Brønsted basic and are

  7. The 2S(+) - 2P separation in KO

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Partridge, Harry; Dyall, Kenneth G.

    1991-01-01

    The 2S(+) - 2P separation in KO is investigated using large basis sets and high levels of correlation treatment. Relativistic effects are included at the Dirac-Fock level and reduce the separation only slightly. The basis set superposition error is considered in detail. On the basis of these calculations, our best estimate places the 2p sub 3/2 state about 200 cm(exp -1) above the ground 2 sigma(+) state in agreement with our previous estimate.

  8. N-[(2S)-2-Chloro-propano-yl]glycine.

    PubMed

    Sun, Hong-Shun; Tang, Yi; Li, Yu-Long; Xu, Ning; Xu, Hong

    2012-09-01

    The title compound, C(5)H(8)ClNO(3), was prepared by the nucleophilic substitution reaction of (2S)-2-chloro-propanoyl chloride with glycine. The acetate group forms a dihedral angle of 84.6 (1)° with the mean plane of the C-NH-C=O fragment. In the crystal, the molecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating a three-dimensional network, which consolidates the crystal packing.

  9. Interruption of electronically excited Xe dimer formation by the photoassociation of Xe(6s[3/2]2)-Xe(5p(6) (1)S0) thermal collision pairs.

    PubMed

    Galvin, T C; Wagner, C J; Eden, J G

    2016-06-28

    The diatomic collisional intermediate responsible for the formation of an electronically excited molecule by teratomic recombination has been observed in both the spectral and temporal domains by laser spectroscopy. We report experiments demonstrating thermal Xe(6s[3/2]2)-Xe(5p(6) (1)S0) atomic collision pairs to be the immediate precursor to the formation of Xe2 (∗)(a(3)Σu (+),A(1)Σu (+)) by the three body process: Xe(∗)(6s) + 2Xe ⟶ Xe2 (∗) + Xe, where the asterisk denotes an excited electronic state. Photoassociating Xe(6s)-Xe atomic pairs by free ⟵ free transitions of the collision complex interrupts the production of the electronically excited Xe dimer, thereby suppressing Xe2 spontaneous emission in the vacuum ultraviolet (VUV, λ ∼ 172 nm, A(1)Σu (+)→X(1)Σg (+)). Intercepting Xe(6s)-Xe pairs before the complex is stabilized by the arrival of the third atom in the teratomic collision process selectively depletes the pair population in a specific Franck-Condon region determined by the probe laser wavelength (λ). Measurements of the variation of VUV emission suppression with λ provide a spectral signature of the [Xe(6s[3/2]2) - Xe((1)S0)](∗) complex and map the probe laser wavelength onto the thermal energy (ϵ″) of the incoming collision pairs.

  10. Interruption of electronically excited Xe dimer formation by the photoassociation of Xe(6s[3/2]2)-Xe(5p6 1S0) thermal collision pairs

    NASA Astrophysics Data System (ADS)

    Galvin, T. C.; Wagner, C. J.; Eden, J. G.

    2016-06-01

    The diatomic collisional intermediate responsible for the formation of an electronically excited molecule by teratomic recombination has been observed in both the spectral and temporal domains by laser spectroscopy. We report experiments demonstrating thermal Xe(6s[3/2]2)-Xe(5p6 1S0) atomic collision pairs to be the immediate precursor to the formation of Xe 2∗ ( a 3 Σu + , A 1 Σu +) by the three body process: Xe∗(6s) + 2Xe ⟶ Xe 2∗ + Xe, where the asterisk denotes an excited electronic state. Photoassociating Xe(6s)-Xe atomic pairs by free ⟵ free transitions of the collision complex interrupts the production of the electronically excited Xe dimer, thereby suppressing Xe2 spontaneous emission in the vacuum ultraviolet (VUV, λ ˜ 172 nm, A 1 Σu + → X 1 Σg +). Intercepting Xe(6s)-Xe pairs before the complex is stabilized by the arrival of the third atom in the teratomic collision process selectively depletes the pair population in a specific Franck-Condon region determined by the probe laser wavelength (λ). Measurements of the variation of VUV emission suppression with λ provide a spectral signature of the [Xe(6s[3/2]2) - Xe(1S0)]∗ complex and map the probe laser wavelength onto the thermal energy (ɛ″) of the incoming collision pairs.

  11. Evidence for the existence of Li2S2 clusters in lithium-sulfur batteries: ab initio Raman spectroscopy simulation.

    PubMed

    Partovi-Azar, Pouya; Kühne, Thomas D; Kaghazchi, Payam

    2015-09-14

    Using density functional theory calculations and ab initio molecular dynamics simulations we have studied the structures and the Raman spectra of Li2S4 clusters, which are believed to be the last polysulfide intermediates before the formation of Li2S2/Li2S during the discharge process in Li-S batteries. Raman spectra have been obtained using a new technique to estimate polarizabilities using Wannier functions. We have observed clear evidence of Li2S4→ Li2S2 transition by studying systematic changes in the simulated Raman spectra of (Li2S4)n, n = 1, 4, and 8 towards that of (Li2S2)8. Furthermore, we have shown that the dominant Raman peak of the Li2S2 cluster at ∼440 cm(-1) arises from sulfur-sulfur stretching mode. This peak has been experimentally observed in the discharged state of Li-S batteries and has also been attributed to the formation of Li2S2. We have also demonstrated that the transition is mainly due to the strong electrostatic interactions between Li2S4 monomers, which results in energy lowering by arranging the local Li(+δ)-S(-δ) dipole moments in an anti-parallel fashion.

  12. Quasi-classical trajectory study of the reaction dynamics of Ca( 1S 0, 3P) atoms with CHCl 3

    NASA Astrophysics Data System (ADS)

    Yao, Li; Zhong, Haiyang; Liu, Yonglu; Xia, Wenwen

    2009-05-01

    The reaction dynamics of the Ca( 1S 0, 3P) + CHCl 3 → CaCl + CHCl 2 has been studied by means of quasi-classical trajectory (QCT) calculation based on a constructed extended London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES). The vibrational distribution, reaction cross-section and rotational alignment are all obtained, which are under detailed discussion for product CaCl. The calculated results show that the product CaCl vibrational population peaks are located at ν = 13 (for the ground state) and ν = 12 (for the excited states) at collision energy 2.302 kcal/mol. This product vibrational distribution agrees well with the experimental one in Ref. [K.L. Han, G.Z. He, N.Q. Lou, Chem. Phys. Lett. 178 (1991) 528]. The cross-section decreases thoroughly with the increasing of the collision energy at the range from 1.5 kcal/mol to 20.6 kcal/mol. We have obtained values deviating much from -0.5 and changing interestingly with collision energies.

  13. Electron Excitation Cross Sections for the 2s(sup 2)2p(sup 3) (sup 4)S -> 2s(sup 2)2p(sup 3) (sup 2d) ->2s2p(sup 4) (sup 4p) (Resonance) Transitions in Oil

    NASA Technical Reports Server (NTRS)

    Zuo, M.; Smith, S.; Chutjian, A.; Williams, I.; Tayal, S.; McLaughlin, B.

    1994-01-01

    Experimental and theoretical excitation cross sections are reported for the first forbidden transition xxx and the first allowed (resonance) transition xxx in OII. Use is made of electron-energy loss and merged beams methods. The electron energy range covered is 3.33 eV (threshold) to 15 eV for the S->D transition, and 14.9 eV (threshold) to 40 eV for the S->P transition. Care was taken to assess and minimize the metastable fraction of the OII beam. An electron mirror was designed and tested to reflect inelastically back-scattered electrons into the forward direction to account for the full range of polar scattering angles. Comparisons are made between present experiments and 11-state R-Matrix calculations. Calculations are also presented for the xxx transition.

  14. Electron Excitation Cross Sections for the 2s(sup 2)2p(sup 3) (sup 4)S -> 2s(sup 2)2p(sup 3) (sup 2d) ->2s2p(sup 4) (sup 4p) (Resonance) Transitions in Oil

    NASA Technical Reports Server (NTRS)

    Zuo, M.; Smith, S.; Chutjian, A.; Williams, I.; Tayal, S.; McLaughlin, B.

    1994-01-01

    Experimental and theoretical excitation cross sections are reported for the first forbidden transition xxx and the first allowed (resonance) transition xxx in OII. Use is made of electron-energy loss and merged beams methods. The electron energy range covered is 3.33 eV (threshold) to 15 eV for the S->D transition, and 14.9 eV (threshold) to 40 eV for the S->P transition. Care was taken to assess and minimize the metastable fraction of the OII beam. An electron mirror was designed and tested to reflect inelastically back-scattered electrons into the forward direction to account for the full range of polar scattering angles. Comparisons are made between present experiments and 11-state R-Matrix calculations. Calculations are also presented for the xxx transition.

  15. Hyperfine Quenching of the 2s2p 3P0 State of Berylliumlike Ions

    SciTech Connect

    Cheng, K T; Chen, M H; Johnson, W R

    2008-03-13

    The hyperfine-induced 2s2p {sup 3}P{sub 0}-2s{sup 2} {sup 1}S{sub 0} transition rate for Be-like {sup 47}Ti{sup 18+} was recently measured in a storage-ring experiment by Schippers et al. [Phys. Rev. Lett. 98, 033001 (2007)]. The measured value of 0.56(3) s{sup -1} is almost 60% larger than the theoretical value of 0.356 s{sup -1} from a multiconfiguration Dirac-Fock calculation by Marques et al. [Phys. Rev. A 47, 929 (1993)]. In this work, we use a large-scale relativistic configuration-interaction method to calculate these hyperfine-induced rates for ions with Z = 6-92. Coherent hyperfine-quenching effects between the 2s2p {sup 1,3}P{sub 1} states are included in a perturbative as well as a radiation damping approach. Contrary to the claims of Marques et al., contributions from the {sup 1}P{sub 1} state are substantial and lead to a hyperfine-induced rate of 0.67 s{sup -1}, in better agreement with, though larger than, the measured value.

  16. Measurement of the He 1s2s (1)S(0) isotopic shift using a tunable VUV anti-Stokes light source.

    PubMed

    Falcone, R W; Willison, J R; Young, J F; Harris, S E

    1978-11-01

    We describe a high-resolution, vacuum-ultraviolet spectroscopic technique based on a tunable, narrow-band, VUV, spontaneous anti-Stokes light source. The technique was used to measure the absolute energies of the 1s2s (1)S(0) states of (3)He and (4)He; the 1s2s (1)S(0) level of (3)He is 7.8 +/- 0.5 cm(-1) below that of (4)He.

  17. Spectroscopic and Redox Studies of Valence-Delocalized [Fe2S2]+ Centers in Thioredoxin-Like Ferredoxins

    PubMed Central

    Subramanian, Sowmya; Duin, Evert C.; Fawcett, Sarah E. J.; Armstrong, Fraser A.; Meyer, Jacques; Johnson, Michael K.

    2015-01-01

    Reduced forms of the C56S and C60S variants of the thioredoxin-like Clostridium pasteurianum [Fe2S2] ferredoxin (CpFd) provide the only known examples of valence-delocalized [Fe2S2]+ clusters, which constitute a fundamental building block of all higher nuclearity Fe-S clusters. In this work, we have revisited earlier work on the CpFd variants and carried out redox and spectroscopic studies on the [Fe2S2]2+,+ centers in wild-type and equivalent variants of the highly homologous and structurally characterized Aquifex aeolicus ferredoxin 4 (AaeFd4) using EPR, UV-visible-NIR absorption, CD and variable-temperature MCD, and protein-film electrochemistry. The results indicate that the [Fe2S2]+ centers in the equivalent AaeFd4 and CpFd variants reversibly interconvert between similar valence-localized S = 1/2 and valence-delocalized S = 9/2 forms as a function of pH, with pKa values in the range 8.3-9.0, due to protonation of the coordinated serinate residue. However, freezing high-pH samples results in partial or full conversion from valence-delocalized S = 9/2 to valence-localized S = 1/2 [Fe2S2]+ clusters. MCD saturation magnetization data for valence-delocalized S = 9/2 [Fe2S2]+ centers facilitated determination of transition polarizations and thereby assignments of low-energy MCD bands associated with the Fe−Fe interaction. The assignments provide experimental assessment of the double exchange parameter, B, for valence-delocalized [Fe2S2]+ centers and demonstrate that variable-temperature MCD spectroscopy provides a means of detecting and investigating the properties of valence-delocalized S = 9/2 [Fe2S2]+ fragments in higher nuclearity Fe-S clusters. The origin of valence delocalization in thioredoxin-like ferredoxin Cys-to-Ser variants and Fe-S clusters in general is discussed in light of these results. PMID:25790339

  18. Electron excitation cross sections for the 2s^2 2p ^2p^o-2s2p^2 ^4p and 2s2p^2 ^2D transitions in O^3+

    NASA Technical Reports Server (NTRS)

    Smith, S. J.; Lozano, J. A.; Tayal, S. S.; Chutjian, A.

    2003-01-01

    Comparison is made with results of new calculations in a 25-state R-matrix theory and with results in a previous eight-state R-matrix calculation. The presence of rich resonance structure is confirmed in both experiment and theory.

  19. First-principles study on the electronic properties of BaCu 2S 2

    NASA Astrophysics Data System (ADS)

    Liu, G. B.; Wang, X. Q.; Kuang, X. J.; L. He, A.

    2010-11-01

    Using the pseudopotential plane-wave method under the density functional theory (DFT), the electronic properties of BaCu 2S 2 in α and β phases are calculated. The result shows that the bottom conduction band is mainly made of Ba 5d state, while the upper valence band is formed by S 3p and Cu 4d states, but both of them for β-BaCu 2S 2 are wider than those for α-BaCu 2S 2. The electron and hole effective masses for BaCu 2S 2 are also analyzed in detail. It is found that β-BaCu 2S 2 has very small hole effective masses, which implies that β-BaCu 2S 2 may possess a high hole mobility. Moreover, its hole effective masses are extremely anisotropic along ab plane and c axis. These properties are helpful to enhance its Seebeck coefficient, and means that β-BaCu 2S 2 could be a good candidate of thermoelectric materials.

  20. Oxidation of atomic gold ions: thermochemistry for the activation of O(2) and N(2)O BY Au(+) ((1)S(0) and (3)D).

    PubMed

    Li, Feng-Xia; Gorham, Katrine; Armentrout, P B

    2010-10-28

    Reaction of Au(+) ((1)S(0) and (3)D) with O(2) and N(2)O is studied as a function of kinetic energy using guided ion beam tandem mass spectrometry. A flow tube ion source produces Au(+) primarily in its (1)S(0) (5d(10)) electronic ground state level but with some (3)D and perhaps higher lying excited states. The distribution of states can be altered by adding N(2)O, which completely quenches the excited states, or CH(4) to the flow gases. Cross sections as a function of kinetic energy are measured for both neutral reagents and both ground and excited states of Au(+). Formation of AuO(+) is common to both systems with the N(2)O system also exhibiting AuN(2)(+) and AuNO(+) formation. All reactions of Au(+) ((1)S(0)) are observed to be endothermic, whereas the excitation energy available to the (3)D state allows some reactions to be exothermic. Because of the closed shell character of ground state Au(+) ((1)S(0), 5d(10)), the reactivity of these systems is low and has cross sections with onsets and peaks at higher energies than expected from the known thermochemistry but lower than energies expected from impulsive processes. Analyses of the endothermic reaction cross sections yield the 0 K bond dissociation energy (BDE) in eV of D(0)(Au(+)-O) = 1.12 ± 0.08, D(0)(Au(+)-N(2)) ≥ 0.30 ± 0.04, and D(0)(Au(+)-NO) = 0.89 ± 0.17, values that are all speculative because of the unusual experimental behavior. Combining the AuO(+) BDE measured here with literature data also yields the ionization energy of AuO as 10.38 ± 0.23 eV. Quantum chemical calculations show reasonable agreement with the experimental bond energies and provide the electronic structures of these species.

  1. Measurement of the 1s2s 1S0-1s2p 3P1 intercombination interval in helium-like silicon.

    PubMed

    Redshaw, M; Myers, E G

    2002-01-14

    Using Doppler-tuned fast-beam laser spectroscopy the 1s2s 1S0-1s2p 3P1 intercombination interval in 28Si12+ has been measured to be 7230.5(2) cm(-1). The experiment made use of a single-frequency Nd:YAG (1.319 microm) laser and a high-finesse optical buildup cavity. The result provides a precision test of modern relativistic and QED atomic theory.

  2. Determination of hyperfine-induced transition rates from observations of a planetary nebula.

    PubMed

    Brage, Tomas; Judge, Philip G; Proffitt, Charles R

    2002-12-31

    Observations of the planetary nebula NGC3918 made with the STIS instrument on the Hubble Space Telescope reveal the first unambiguous detection of a hyperfine-induced transition 2s2p 3P(o)(0)-->2s2 1S0 in the berylliumlike emission line spectrum of N IV at 1487.89 A. A nebular model allows us to confirm a transition rate of 4x10(-4) sec(-1)+/-33% for this line. The measurement represents the first independent confirmation of the transition rate of hyperfine-induced lines in low ionization stages, and it provides support for the techniques used to compute these transitions for the determination of very low densities and isotope ratios.

  3. Experimental study on NO oxidation by K2S2O8 + Fe(II)EDTA

    NASA Astrophysics Data System (ADS)

    Hu, Hui; Huang, Hao; Tao, Gong-Kai; Xie, Jing; Yang, Cheng; Huang, Ting

    2017-06-01

    NO absorption and oxidation by K2S2O8 + Fe(II)EDTA system was studied in a lab-scale bubble reactor. The effects of different additives, reaction temperatures, pH values, K2S2O8 and Fe(II)EDTA concentrations on NO conversion were systematic investigated. Results indicated that NO conversion rate of K2S2O8 + Fe(II)EDTA system increased to 91.6% when concentrations of K2S2O8 and Fe(II)EDTA were both 30 mmol/L at 80 °C. NO conversion rate was positively correlated with the SO42- concentration in absorption solution, and it kept around 80% in a wide pH range, which made this technology to be a promising method for the denitrification of coal-fired flue gas.

  4. Transient existence of crystalline lithium disulfide Li2S2 in a lithium-sulfur battery

    NASA Astrophysics Data System (ADS)

    Paolella, Andrea; Zhu, Wen; Marceau, Hugues; Kim, Chi-su; Feng, Zimin; Liu, Dongqiang; Gagnon, Catherine; Trottier, Julie; Abdelbast, Guerfi; Hovington, Pierre; Vijh, Ashok; Demopoulos, George P.; Armand, Michel; Zaghib, Karim

    2016-09-01

    Crystalline lithium disulfide (Li2S2) is identified, for the first time, as a transient species in the lithium-sulfur cell, by using an operando X-ray diffraction (XRD) technique. The observed XRD pattern precisely matches with the predicted pattern based on the density function theory. The formation of Li2S2 crystals is repetitively found in the highly concentrated (7 M Li+) electrolyte at high voltage region (>2 V) near the end of the first charge cycle and before the end of the second discharge cycle. These conditions indicate that crystalline Li2S2 exists in the non-equilibrium regime. The formation of crystalline Li2S2 under only the specified conditions suggests that it is not formed as an intermediate discharge product, contrary to what is generally believed, but as a transient species by the disproportionation reaction from higher order polysulfides which is facilitated by the "solvent-in-salt" conditions.

  5. Electronic structures and edge effects of Ga2S2 nanoribbons

    NASA Astrophysics Data System (ADS)

    Wang, Bao-Ji; Li, Xiao-Hua; Zhang, Li-Wei; Wang, Guo-Dong; Ke, San-Hang

    2016-10-01

    Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the electronic properties of the nanoribbons are very sensitive to the edge structure. The zigzag nanoribbons (Ga2S2-ZNRs) are ferromagnetic (FM) metallic with spin-polarized edge states regardless of the H-passivation, whereas the bare armchair ones (Ga2S2-ANRs) are semiconducting with an indirect band gap. This band gap exhibits an oscillation behavior as the width increases and finally converges to a constant value. Similar behavior is also found in H-saturated Ga2S2-ANRs, although the band gap converges to a larger value. The relative stabilities of the bare ANRs and ZNRs are investigated by calculating their binding energies. It is found that for a similar width the ANRs are more stable than the ZNRs, and both are more stable than some Ga2S2 nanoclusters with stable configurations. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174220 and 11374226), the Key Scientific Research Project of the Henan Institutions of Higher Learning (Grant No. 16A140009), the Program for Innovative Research Team of Henan Polytechnic University (Grant Nos. T2015-3 and T2016-2), and the Doctoral Foundation of Henan Polytechnic University (Grant No. B2015-46).

  6. The effect of electron and hole doping on the thermoelectric properties of shandite-type Co3Sn2S2

    NASA Astrophysics Data System (ADS)

    Mangelis, Panagiotis; Vaqueiro, Paz; Jumas, Jean-Claude; da Silva, Ivan; Smith, Ronald I.; Powell, Anthony V.

    2017-07-01

    Electron and hole doping in Co3Sn2S2, through chemical substitution of cobalt by the neighbouring elements, nickel and iron, affects both the structure and thermoelectric properties. Electron doping to form Co3-xNixSn2S2 (0≤x≤3) results in an expansion of the kagome layer and materials become increasingly metallic as cobalt is substituted. Conversely, hole doping in Co3-xFexSn2S2 (0≤x≤0.6) leads to a transition from metallic to n-type semiconducting behaviour at x=0.5. Iron substitution induces a small increase in the separation between the kagome layers and improves the thermoelectric performance. Neutron diffraction data reveal that substitution occurs at the Co 9(d) site in a disordered fashion. Mössbauer spectroscopy reveals two iron environments with very different isomer shifts, which may be indicative of a mixed-valence state, while Sn exhibits an oxidation state close to zero in both series. Co2.6Fe0.4Sn2S2 exhibits a maximum figure-of-merit, ZT=0.2 at 523 K while Co2.4Fe0.6Sn2S2 reaches a power factor of 10.3 μW cm-1 K-2 close to room temperature.

  7. Quasimolecular emission near the Xe(5p 56s 1,3 P 1 - 5p 6 1 S 0) and Kr (4p 55s 1,3 P 1 - 4p 6 1 S 0) resonance lines induced by collisions with He atoms

    NASA Astrophysics Data System (ADS)

    Alekseeva, O. S.; Devdariani, A. Z.; Grigorian, G. M.; Lednev, M. G.; Zagrebin, A. L.

    2017-02-01

    This study is devoted to the theoretical investigation of the quasimolecular emission of Xe*-He and Kr*-He collision pairs near the Xe (5p 56s 1,3 P 1 - 5p 6 1 S 0) and Kr (4p 55s 1,3 P 1 - 4p 6 1 S 0) resonance atomic lines. The potential curves of the quasimolecules Xe(5p 56s) + He and Kr(4p 55s) + He have been obtained with the use of the effective Hamiltonian and pseudopotential methods. Based on these potential curves the processes of quasimolecular emission of Xe*+He and Kr*+He mixtures have been considered and the spectral distributions I(ħΔω) of photons emitted have been obtained in the framework of quasistatic approximation.

  8. Doppler-free two-photon excitation spectroscopy and the Zeeman effects of the S1 1B1u(v21=1) <-- S0 1Ag(v=0) band of naphthalene-d8.

    PubMed

    Okubo, Mitsushi; Wang, Jinguo; Baba, Masaaki; Misono, Masatoshi; Kasahara, Shunji; Katô, Hajime

    2005-04-08

    Doppler-free two-photon excitation spectrum and the Zeeman effect of the S1 1B1u(v21=1) <-- S0 1Ag(v=0) transition of naphthalene-d8 have been measured. 908 lines of Q(Ka)Q(J)KaKc transition of J=0-41, Ka=0-20 were assigned, and the molecular constants of the S1 1B1u(v21=1) state were determined. Perturbations were observed, and those were identified as originating from Coriolis interaction. No perturbation originating from an interaction with triplet state was observed. The Zeeman splittings from lines of a given J were observed to increase with Kc, and those of the Kc=J levels increased linearly with J. The Zeeman effects are shown to be originating from the magnetic moment of the S1 1B1u state, which is along the c axis and is induced by mixing of the S2 1B3u state to the S1 1B1u state by J-L coupling. Rotationally resolved levels were found not to be mixed with a triplet state from the Zeeman spectra. Accordingly, it is concluded that nonradiative decay of an isolated naphthalene excited to low rovibronic levels in the S1 1B1u state does not occur through the intersystem mixing. This is at variance with generally accepted understanding of the pathways of the nonradiative decay.

  9. Electron and phonon transport in shandite-structured Ni3Sn2S2

    NASA Astrophysics Data System (ADS)

    Aziz, Alex; Mangelis, Panagiotis; Vaqueiro, Paz; Powell, Anthony V.; Grau-Crespo, Ricardo

    2016-10-01

    The shandite family of solids, with hexagonal structure and composition A3M2X2 (A = Ni, Co, Rh, Pd; M = Pb, In, Sn, Tl; X = S, Se), has attracted recent research attention due to promising applications as thermoelectric materials. Herein we discuss the electron and phonon transport properties of shandite-structured Ni3Sn2S2 , based on a combination of density functional theory, Boltzmann transport theory, and experimental measurements. Ni3Sn2S2 exhibits a metallic and nonmagnetic ground state with Ni0 oxidation state and very low charge on Sn and S atoms. Seebeck coefficients obtained from theoretical calculations are in excellent agreement with those measured experimentally between 100 and 600 K. From the calculation of the ratio σ /τ between the electronic conductivity and relaxation time, and the experimental determination of electron conductivity, we extract the variation of the scattering rate (1 /τ ) with temperature between 300 and 600 K, which turns out to be almost linear, thus implying that the dominant electron-scattering mechanism in this temperature range is via phonons. The electronic thermal conductivity, which deviates only slightly from the Wiedemann-Franz law, provides the main contribution to thermal transport. The small lattice contribution to the thermal conductivity is calculated from the phonon structure and third-order force constants, and is only ˜2 W m-1K-1 at 300 K (less than 10% of the total thermal conductivity), which is confirmed by experimental measurements. Overall, Ni3Sn2S2 is a poor thermoelectric material (Z T ˜ 0.01 at 300 K), principally due to the low absolute value of the Seebeck coefficient. However, the understanding of its transport properties will be useful for the rationalization of the thermoelectric behavior of other, more promising members of the shandite family.

  10. 40 CFR 721.10252 - Thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Thiosulfuric acid (H2S2O3), manganese... New Uses for Specific Chemical Substances § 721.10252 Thiosulfuric acid (H2S2O3), manganese(2+) salt... substance identified as thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1) (PMN P-09-373; CAS No. 1033050...

  11. 40 CFR 721.10252 - Thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Thiosulfuric acid (H2S2O3), manganese... New Uses for Specific Chemical Substances § 721.10252 Thiosulfuric acid (H2S2O3), manganese(2+) salt... substance identified as thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1) (PMN P-09-373; CAS No. 1033050...

  12. 40 CFR 721.10252 - Thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Thiosulfuric acid (H2S2O3), manganese... New Uses for Specific Chemical Substances § 721.10252 Thiosulfuric acid (H2S2O3), manganese(2+) salt... substance identified as thiosulfuric acid (H2S2O3), manganese(2+) salt (1:1) (PMN P-09-373; CAS No. 1033050...

  13. Rotationally resolved S1<--S0 electronic spectra of fluorene, carbazole, and dibenzofuran: Evidence for Herzberg-Teller coupling with the S2 state

    NASA Astrophysics Data System (ADS)

    Yi, John T.; Alvarez-Valtierra, Leonardo; Pratt, David W.

    2006-06-01

    Rotationally resolved fluorescence excitation spectra of the S1←S0 origin bands and higher vibronic bands of fluorene (FLU), carbazole (CAR), and dibenzofuran (DBF) have been observed and assigned. Analyses of these data show that replacement of the CH2 group in FLU with a NH group in CAR and an O atom in DBF produces only localized changes in structure, in the ground state. But the three molecules exhibit different changes in geometry when they are excited by light. The S1 states of the three molecules also are electronically very different. The S1←S0 transition moments of CAR and DBF are parallel to the C2 symmetry axis whereas the corresponding transition moment in FLU is perpendicular to this axis. Herzberg-Teller coupling involving the S2 state also has been observed in the spectra of higher vibronic bands of CAR and DBF. Possible reasons for these behaviors are discussed.

  14. M2, S2, K1 models of the global ocean tide

    NASA Technical Reports Server (NTRS)

    Parke, M. E.; Hendershott, M. C.

    1979-01-01

    Ocean tidal signals appear in many geophysical measurements. Geophysicists need realistic tidal models to aid in interpretation of their data. Because of the closeness to resonance of dissipationless ocean tides, it is difficult for numerical models to correctly represent the actual open ocean tide. As an approximate solution to this problem, test functions derived by solving Laplace's Tidal Equations with ocean loading and self gravitation are used as a basis for least squares dynamic interpolation of coastal and island tidal data for the constituents M2, S2, and Kl. The resulting representations of the global tide are stable over at least a ?5% variation in the mean depth of the model basin, and they conserve mass. Maps of the geocentric tide, the induced free space potential, the induced vertical component of the solid earth tide, and the induced vertical component of the gravitational field for each contituent are presented.

  15. A Web-Based Climate Change Drought Decision Support System (C2D2S2)

    NASA Astrophysics Data System (ADS)

    Aggett, G. R.

    2008-12-01

    Water managers are increasingly recognizing climate change as a significant issue and are requesting detailed information about potential hydrologic impacts suitable for inclusion in planning. For operational forecasts of streamflow, physically-based hydrologic models that can integrate critical parameters from climate change forecasts are required, as they can be used to directly relate altered temperature regimes to changes in snowpack, streamflow timing, and other effects. Available studies, however, are most often academic in nature and have the added limitation of being incompatible with agency specific water management models or the streamflow period of interest. Commissioning of a study focused on a specific system is generally prohibitively expensive for most municipalities and agencies. This study thus focused on the design and development of a prototype web-based Climate Change Drought Decision Support System (C2D2S2) to enable water managers at various operational- and time-scales to rapidly assess the impact of predicted climate change on natural flows at critical nodes along a river network. Results presented here highlight development of the system, specifically determination of the full range of elements required to build and support C2D2S2 including data, methods, tools and infrastructure necessary to power a full system capable of providing widespread and low-cost access to tools that can be used to generate scenarios of future streamflow over the internet. Results also stress the need for close interaction with, and feedback from stakeholders during development. This participation is critical to ensure potential users can use the tool effectively, and that data products are understandable in the context of operational water management decisions.

  16. Measurement of the transition probability of the C III 190.9 nanometer intersystem line

    NASA Technical Reports Server (NTRS)

    Kwong, Victor H. S.; Fang, Z.; Gibbons, T. T.; Parkinson, W. H.; Smith, Peter L.

    1993-01-01

    A radio-frequency ion trap has been used to store C(2+) ions created by electron bombardment of CO. The transition probability for the 2s2p 3Po1-2s2 1S0 intersystem line of C m has been measured by recording the radiative decay at 190.9 nm. The measured A-value is 121 +/- 7/s and agrees, within mutual uncertainty limits, with that of Laughlin et al. (1978), but is 20 percent larger than that of Nussbaumer and Storey (1978). The effective collision mixing rate coefficient among the fine structure levels of 3Po and the combined quenching and charge transfer rate coefficients out of the 3Po1 level with the CO source gas have also been measured.

  17. Measurement of the transition probability of the C III 190.9 nanometer intersystem line

    NASA Technical Reports Server (NTRS)

    Kwong, Victor H. S.; Fang, Z.; Gibbons, T. T.; Parkinson, W. H.; Smith, Peter L.

    1993-01-01

    A radio-frequency ion trap has been used to store C(2+) ions created by electron bombardment of CO. The transition probability for the 2s2p 3Po1-2s2 1S0 intersystem line of C m has been measured by recording the radiative decay at 190.9 nm. The measured A-value is 121 +/- 7/s and agrees, within mutual uncertainty limits, with that of Laughlin et al. (1978), but is 20 percent larger than that of Nussbaumer and Storey (1978). The effective collision mixing rate coefficient among the fine structure levels of 3Po and the combined quenching and charge transfer rate coefficients out of the 3Po1 level with the CO source gas have also been measured.

  18. Shell-model Monte Carlo studies of neutron-rich nuclei in the 1s-0d-1p-0f shells

    NASA Astrophysics Data System (ADS)

    Dean, D. J.; Ressell, M. T.; Hjorth-Jensen, M.; Koonin, S. E.; Langanke, K.; Zuker, A. P.

    1999-05-01

    We demonstrate the feasibility of realistic shell-model Monte Carlo (SMMC) calculations spanning multiple major shells, using a realistic interaction whose bad saturation and shell properties have been corrected by a newly developed general prescription. Particular attention is paid to the approximate restoration of translational invariance. The model space consists of the full sd-pf shells. We include in the study some well-known T=0 nuclei and several unstable neutron-rich ones around N=20,28. The results indicate that SMMC calculations can reproduce binding energies, B(E2) transitions, and other observables with an interaction that is practically parameter free. Some interesting insight is gained into the nature of deep correlations. The validity of previous studies is confirmed.

  19. Redox-dependent conformational selection in a Cys4Fe2S2 ferredoxin.

    PubMed

    Pochapsky, T C; Kostic, M; Jain, N; Pejchal, R

    2001-05-15

    Putidaredoxin (Pdx), a Cys4Fe2S2 ferredoxin from Pseudomonas putida, exhibits redox-dependent binding to its physiological redox partner, cytochrome P450(cam) (CYP101), with the reduced form of Pdx (Pdx(r)) binding with greater affinity to oxidized camphor-bound CYP101 than the oxidized form, Pdx(o). It has been previously shown that Pdx(o) is more dynamic than Pdx(r) on all accessible time scales, and it has been proposed that Pdx(r) samples only a fraction of the conformational substates populated by Pdx(o) on a time average. It is postulated that the ensemble subset populated by Pdx(r) is the same subset that binds CYP101, providing a mechanism for coupling the Pdx oxidation state to binding affinity for CYP101. Evidence from a variety of sources, including redox-dependent shifts of 15N and 13C resonances, indicates that the metal cluster binding loop of Pdx is the primary determinant of redox-dependent conformational selection. Patterns of paramagnetic effects suggest that the metal cluster binding loop contracts around the metal cluster upon reduction, possibly due to the strengthening of hydrogen bonds between the sulfur atoms of the metal cluster and the surrounding polypeptide NH and OH groups. Effects of this perturbation are then transmitted mechanically to other affected regions of the protein. A specific mutation has been introduced into the metal binding loop of Pdx, G40N, that slows conformational exchange sufficiently that the ensemble of conformational substates in Pdx(o) are directly observable as severe broadenings or splittings in affected NMR resonances. Many of the residues most affected by the mutation also show significant exchange contributions to 15N T(2) relaxation in wild-type Pdx(o). As predicted, G40N Pdx(r) shows a collapse of many of these multiplets and broadened lines to form much sharper resonances that are essentially identical to those observed in wild-type Pdx(r), indicating that Pdx(r) occupies fewer conformational substates

  20. Isovector spin-singlet (T = 1, S = 0) and isoscalar spin-triplet (T = 0, S = 1) pairing interactions and spin-isospin response

    NASA Astrophysics Data System (ADS)

    Sagawa, H.; Bai, C. L.; Colò, G.

    2016-08-01

    We review several experimental and theoretical advances that emphasize common aspects of the study of spin-singlet, T = 1, and spin-triplet, T = 0, pairing correlations in nuclei. We first discuss various empirical evidence of the special role played by the T = 1 pairing interaction. In particular, we show the peculiar features of the nuclear pairing interaction in the low-density regime, and possible outcomes such as the BCS-BEC crossover in nuclear matter and, in an analogous way, in loosely bound nuclei. We then move to the competition between T = 1 and T = 0 pairing correlations. The effect of such competition on the low-lying spectra is studied in N = Z odd-odd nuclei by using a three-body model; in this case, it is shown that the inversion of the {J}π ={0}+ and {J}π ={1}+ states near the ground state, and the strong magnetic dipole transitions between them, can be considered as a clear manifestation of strong T = 0 pairing correlations in these nuclei. The effect of T = 0 pairing correlations is also quite evident if one studies charge-changing transitions. The Gamow-Teller (GT) states in N=Z+2 nuclei are studied here by using self-consistent Hartree-Fock-Bogoliubov (HFB) plus quasiparticle random-phase approximation calculations in which the T = 0 pairing interaction is taken into account. Strong GT states are found, near the ground state of daughter nuclei; these are compared with available experimental data from charge-exchange reactions, and such comparison can pinpoint the value of the strength of the T = 0 interaction. Pair transfer reactions are eventually discussed. While two-neutron transfer has long been proposed as a tool to measure the T = 1 superfluidity in the nuclear ground states, the study of deuteron transfer is still in its infancy, despite its potential interest for revealing effects coming from both T = 1 and T = 0 interactions. We also point out that the reaction mechanism may mask the strong pair transfer amplitudes predicted by the

  1. An unexpected oxidation: NaK5Cl2(S2O6)2 revisited

    PubMed Central

    Harrison, William T. A.; Plater, M. John

    2017-01-01

    The title compound, NaK5Cl2(S2O6)2 [systematic name: sodium penta­potassium dichloride bis­(di­thio­nate)], arose as an unexpected product from an organic synthesis that used di­thio­nite (S2O4 2−) ions as a reducing agent to destroy excess permanganate ions. Compared to the previous study [Stanley (1953 ▸). Acta Cryst. 6, 187–196], the present tetra­gonal structure exhibits a root 2a × root 2a × c super-cell due to subtle changes in the orientations of the di­thio­nate anions. The structure can be visualized as a three-dimensional framework of [001] columns of alternating trans-NaO4Cl2 and KO4Cl2 octa­hedra cross-linked by the di­thio­nate ions with the inter­stices occupied by KO6Cl2 polyhedra to generate a densely packed three-dimensional framework. The asymmetric unit comprises two sodium ions (site symmetries 4 and -4, four potassium ions (site symmetries = -4, 4, 1 and 1), three chloride ions (site symmetries = 4, 4 and 2) and two half-di­thio­nate ions (all atoms on general positions). Both di­thio­nate ions are completed by crystallographic inversion symmetry. The crystal chosen for data collection was found to be rotationally twinned by 180° about the [100] axis in reciprocal space with a 0.6298 (13):0.3702 (13) domain ratio. PMID:28217339

  2. Reaction of beta-diketiminate copper(II) complexes and Na2S2.

    PubMed

    Inosako, Masayuki; Kunishita, Atsushi; Shimokawa, Chizu; Teraoka, Junji; Kubo, Minoru; Ogura, Takashi; Sugimoto, Hideki; Itoh, Shinobu

    2008-11-28

    Reaction of beta-diketiminate copper(II) complexes and Na2S2 resulted in formation of (mu-eta2:eta2-disulfido)dicopper(II) complexes (adduct formation) or beta-diketiminate copper(I) complexes (reduction of copper(II)) depending on the substituents of the supporting ligands. In the case of sterically less demanding ligands, adduct formation occurred to provide the (mu-eta2:eta2-disulfido)dicopper(II) complexes, whereas reduction of copper(II) took place to give the corresponding copper(I) complexes with sterically more demanding beta-diketiminate ligands. Spectroscopic examinations of the reactions at low temperature using UV-vis and ESR as well as kinetic analysis have suggested that a 1 : 1 adduct LCuII-S-SNa with an end-on binding mode is initially formed as a common intermediate, from which different reaction pathways exist depending on the steric environment of the metal-coordination sphere provided by the ligands. Thus, with the sterically less demanding ligands, rearrangement of the disulfide adduct from end-on to side-on followed by self-dimerisation occurs to give the (mu-eta2:eta2-disulfido)dicopper(II) complexes, whereas such an intramolecular rearrangement of the disulfide co-ligand does not take place with the sterically more demanding ligands. In this case, homolytic cleavage of the CuII-S bond occurs to give the reduced copper(I) product. The steric effects of the supporting ligands have been discussed on the basis of detailed analysis of the crystal structures of the copper(II) starting materials.

  3. Kermesite, Sb2S2O: crystal structure revision and order-disorder interpretation.

    PubMed

    Hybler, Jiří; Durovič, Slavomil

    2013-12-01

    Kermesite, Sb2S2O, is a desymmetrized order-disorder (OD) structure of layers. Two data sets were recorded using twinned crystals from Pezinok, Slovakia (named as Pz21, Pz24). The primitive unit cell is triclinic, P1, Z = 4, cell parameters are a = 8.1416 (3), b = 10.6968 (3), c = 5.7835 (2) Å, α = 102.758 (3), β = 110.657 (3), γ = 101.020 (3)°, R(obs) = 0.0243 (Pz21), and a = 8.1372 (2), b = 10.6969 (2), c = 5.7840 (1) Å, α = 102.787 (2), β = 110.606 (2), γ = 100.983 (2)°, R(obs) = 0.0321 (Pz24). The structure can also be described in the non-standard pseudo-monoclinic octuple (Z = 32), F-centered (Kupčík) cell with extra points in 1/4,1/4,0; 1/4,3/4,1/2; 3/4,1/4,1/2; 3/4,3/4,0, with parameters a = 21.6466 (9), b = 8.1416 (3), c = 20.3824 (9) Å, α = 90.079 (4), β = 101.985 (5), γ = 89.948 (4)° (Pz21), and a = 21.6558 (5), b = 8.1372 (2), c = 20.3859 (8) Å, α = 90.028 (3), β = 101.994 (3), γ = 89.986 (2)° (Pz24). The structure is built of layers parallel to the bc plane, stacked along the a vector of the octuple cell, composed of ribbons parallel to the b vector: (i) ribbon of two strips of SbO5 flattened quadrangular pyramids, sharing apical edges; (ii) ribbon of edge-sharing corrugated lozenges SbO3S. Basal S atoms of pyramids share corners of lozenges. Sb atoms are displaced out of coordination polyhedra into the inter-layer space. The OD layer comprises adjacent halves of the structure building layers. The layer group is A(1)2/m1, the protocell is defined by b, c, (a/4)sin β. The MDO1 (4A) polytype is generated by repetition of the t(1,1/4,0) [or alternatively t(1,-1/4,0)] translation. The co-existence of two kinds of domains give rise to the twinning. The twin operation is 2[010], twin index 2. The total continuation of [. a2 .] generates the MDO2 (2M) polytype, space group A12/a1. Simulated and real diffraction patterns are presented. The important values (edges, angles) and

  4. Syntheses, characterizations and properties of [Mo2O2S2]-based oxothiomolybdenum wheels incorporating bisphosphonate ligands.

    PubMed

    El Moll, Hani; Kemmegne-Mbouguen, Justin Claude; Haouas, Mohamed; Taulelle, Francis; Marrot, Jérôme; Cadot, Emmanuel; Mialane, Pierre; Floquet, Sébastien; Dolbecq, Anne

    2012-09-07

    We report the syntheses and characterizations of the first polyoxothiometalate complexes isolated from the reaction of the oxothiocationic [Mo(V)(2)O(2)S(2)](2+) precursor and bisphosphonate ligands H(2)O(3)PCR(OH)PO(3)H(2) (R = C(4)H(5)N(2), zoledronic acid; R = C(3)H(6)NH(2), alendronic acid). [(Mo(2)O(2)S(2)(H(2)O))(4)(O(3)PC(O)(C(4)H(6)N(2))PO(3))(4)](8-) (Mo(8)S(8)(Zol)(4)) and [(Mo(2)O(2)S(2)(H(2)O))(4)(O(3)PC(O)(C(3)H(6)NH(3))PO(3))(4)](8-) (Mo(8)S(8)(Ale)(4)) contain four Mo(V) dimers connected via bisphosphonate ligands. These compounds offer a unique opportunity to compare the structures and properties of cyclic compounds obtained with [Mo(2)O(2)S(2)](2+) and with [Mo(2)O(4)](2+). The oxothio compounds appear less stable in solution than the oxo analogue, confirming the higher lability and versatility of [Mo(2)O(2)S(2)]-based compounds compared to [Mo(2)O(4)]-based POMs. Multinuclear and multidimensional solid-state NMR studies were carried out to complement X-ray diffraction analysis. Information on short-range interactions, dynamic behaviors, and local disorder within the crystalline materials are therefore reported. Furthermore, the electrocatalytic properties of Mo(8)S(8)(Ale)(4) and of the analogous [(Mo(2)O(4)(H(2)O))(4)(O(3)PC(O)(C(3)H(6)NH(3))PO(3))(4)](8-) (Mo(8)O(8)(Ale)(4)) immobilized onto the surface of a glassy carbon electrode were studied, thus evidencing the ability of [Mo(2)O(2)S(2)]-based cycles to promote the reduction of protons into hydrogen, whereas the oxo analogue appeared inactive.

  5. Structure and magnetic properties of flux grown single crystals of Co3-xFexSn2S2 shandites

    NASA Astrophysics Data System (ADS)

    Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

    2016-01-01

    We report a successful single crystal growth of the shandite-type half-metallic ferromagnet Co3Sn2S2, and its Fe-substituted compounds, Co3-xFexSn2S2, by employing the flux method. Although Fe3Sn2S2 is unstable phase, we found that using the self Sn flux enables us to obtain single phase crystals up to x=0.53. The chemical composition of the grown plate-shaped single crystals was examined using wavelength-dispersive X-ray spectroscopy. The shandite structure with R 3 ̅m symmetry was confirmed by powder X-ray diffraction and the crystal structure parameters were refined using the Rietveld method. Magnetization measurements show suppression of the ferromagnetic order upon Fe-substitution , as well as in other substituted systems such as In- and Ni-substituted Co3Sn2S2. The almost identical magnetic phase diagrams of the Fe- and In-substituted compounds indicate that the electron number is dominantly significant to the magnetism in the Co-based shandite.

  6. Experimental and theoretical investigation on conformational and spectroscopic properties of dimethyl dithiodiglycolate, [CH3OC(O)CH2S]2

    NASA Astrophysics Data System (ADS)

    Juncal, Luciana C.; Bava, Yanina B.; Tamone, Luciana M.; Seng, Samantha; Tobón, Yeny A.; Sobanska, Sophie; Picone, A. Lorena; Romano, Rosana M.

    2017-06-01

    Dimethyl dithiodiglycolate (DTG), [CH3OC(O)CH2S]2, was synthetized by complete oxidation of methyl thioglycolate (MTG) with I2, and characterized by gas chromatography coupled with electron-impact mass spectrometry. Fifteen stable conformers were found with the B3LYP/6-31 + G* approximation, with calculated populations at ambient temperature higher than 1%. The IR and Raman spectra of liquid DTG were interpreted for the first time, in terms of equilibrium between four conformers. The UV-visible spectra of DTG in solutions of ethanol, isopropanol and acetonitrile present a low-intensity band around 230 nm, interpreted mainly as arising from n → π* transitions localized at the Cdbnd O groups, according to the prediction of TD-DFT calculations.

  7. How Solids Can Be Obtained from the Molecular [Mo 2S 2O 2] 2+ Building Block

    NASA Astrophysics Data System (ADS)

    Sécheresse, Francis; Cadot, Emmanuel; Dolbecq, Anne

    2000-06-01

    Self-condensation of the [Mo2S2O2]2+ building unit under addition of OH- ions gave the neutral cyclic [Mo12S12O12 (OH)12(H2O)6] wheel. In the presence of assembling groups such as phosphates, arsenates, and oxalates, the Mo2-building unit led to anionic wheels differing by their nuclearity, shape, and charge. Solids were derived by tuning the type of associated cations ranging from isolated species to 3D arrangements and layered structures. By functionalization of the [Mo2S2O2]2+ precursor by oxalate, discrete compounds having open or cyclic structures as well as infinite solids were specifically designed.

  8. Transitions.

    ERIC Educational Resources Information Center

    Agnew, Jeanne L.; Choike, James R.

    1987-01-01

    Mathematical observations are made about some continuous curves, called transitions, encountered in well-known experiences. The transition parabola, the transition spiral, and the sidestep maneuver are presented. (MNS)

  9. Transitions.

    ERIC Educational Resources Information Center

    Nathanson, Jeanne H., Ed.

    1993-01-01

    This theme issue on transitions for individuals with disabilities contains nine papers discussing transition programs and issues. "Transition Issues for the 1990s," by Michael J. Ward and William D. Halloran, discusses self-determination, school responsibility for transition, continued educational engagement of at-risk students, and service…

  10. Formaldehyde and methanol formation from reaction of carbon monoxide and hydrogen on neutral Fe2S2 clusters in the gas phase.

    PubMed

    Yin, Shi; Wang, Zhechen; Bernstein, Elliot R

    2013-04-07

    Reaction of CO with H2 on neutral FemSn clusters in a fast flow reactor is investigated both experimentally and theoretically. Single photon ionization at 118 nm is used to detect neutral cluster distributions through time of flight mass spectrometry. FemSn clusters are generated through laser ablation of a mixed iron-sulfur target in the presence of a pure helium carrier gas. A strong size dependent reactivity of (FeS)m clusters toward CO is characterized. The reaction FeS + CO → Fe + OCS is found for the FeS cluster, and the association product Fe2S2CO is observed for the Fe2S2 cluster. Products Fe2S2(13)COH2 and Fe2S2(13)COH4 are identified for reactions of (13)CO and H2 on Fe2S2 clusters: this suggests that the Fe2S2 cluster has a high catalytic activity for hydrogenation reactions of CO to form formaldehyde and methanol. Density functional theory (DFT) calculations are performed to explore the potential energy surfaces for the two reactions: Fe2S2 + CO + 2H2 → Fe2S2 + CH3OH; and Fe2S2 + CO + H2 → Fe2S2 + CH2O. A barrierless, thermodynamically favorable pathway is obtained for both catalytic processes. Catalytic cycles for formaldehyde and methanol formation from CO and H2 on a Fe2S2 cluster are proposed based on our experimental and theoretical investigations. The various reaction mechanisms explored by DFT are in good agreement with the experimental results. Condensed phase iron sulfide, which contains exposed Fe2S2 units on its surface, is suggested to be a good catalyst for low temperature formaldehyde/methanol synthesis.

  11. Nbody Simulations and Weak Gravitational Lensing using new HPC-Grid resources: the PI2S2 project

    NASA Astrophysics Data System (ADS)

    Becciani, U.; Antonuccio-Delogu, V.; Costa, A.; Comparato, M.

    2008-08-01

    We present the main project of the new grid infrastructure and the researches, that have been already started in Sicily and will be completed by next year. The PI2S2 project of the COMETA consortium is funded by the Italian Ministry of University and Research and will be completed in 2009. Funds are from the European Union Structural Funds for Objective 1 regions. The project, together with a similar project called Trinacria GRID Virtual Laboratory (Trigrid VL), aims to create in Sicily a computational grid for e-science and e-commerce applications with the main goal of increasing the technological innovation of local enterprises and their competition on the global market. PI2S2 project aims to build and develop an e-Infrastructure in Sicily, based on the grid paradigm, mainly for research activity using the grid environment and High Performance Computer systems. As an example we present the first results of a new grid version of FLY a tree Nbody code developed by INAF Astrophysical Observatory of Catania, already published in the CPC program Library, that will be used in the Weak Gravitational Lensing field.

  12. A quantum chemical study of H2S2: Intramolecular torsional mode and intermolecular interactions with rare gases

    NASA Astrophysics Data System (ADS)

    Maciel, Glauciete S.; Barreto, Patricia R. P.; Palazzetti, Federico; Lombardi, Andrea; Aquilanti, Vincenzo

    2008-10-01

    The structural and energetic properties of the H2S2 molecule have been studied using density functional theory, second-order Møller-Plesset method, and coupled cluster theory with several basis sets. In order to extend previous work on intra- and intermolecular dynamics of the chirality changing modes for H2O2 and its derivatives, our focus has been on the torsion around the S-S bond, along with an extensive characterization of the intermolecular potentials of H2S2 with the rare gases (He, Ne, Ar, and Kr). Use is made of previously defined coordinates and expansion formulas for the potentials which allow for a faithful representation of geometrical and symmetry properties of these systems that involve the interaction of an atom with a floppy molecule. The potential energy surfaces obtained in this work are useful for classical and quantum mechanical simulations of molecular collisions responsible for chirality changing processes of possible interest in the modeling of prebiotic phenomena.

  13. Density functional theory calculations on the active site of biotin synthase: mechanism of S transfer from the Fe(2)S(2) cluster and the role of 1st and 2nd sphere residues.

    PubMed

    Rana, Atanu; Dey, Subal; Agrawal, Amita; Dey, Abhishek

    2015-10-01

    Density functional theory (DFT) calculations are performed on the active site of biotin synthase (BS) to investigate the sulfur transfer from the Fe(2)S(2) cluster to dethiobiotin (DTB). The active site is modeled to include both the 1st and 2nd sphere residues. Molecular orbital theory considerations and calculation on smaller models indicate that only an S atom (not S²⁻) transfer from an oxidized Fe(2)S(2) cluster leads to the formation of biotin from the DTB using two adenosyl radicals generated from S-adenosyl-L-methionine. The calculations on larger protein active site model indicate that a 9-monothiobiotin bound reduced cluster should be an intermediate during the S atom insertion from the Fe(2)S(2) cluster consistent with experimental data. The Arg260 bound to Fe1, being a weaker donor than cysteine bound to Fe(2), determines the geometry and the electronic structure of this intermediate. The formation of this intermediate containing the C9-S bond is estimated to have a ΔG(≠) of 17.1 kcal/mol while its decay by the formation of the 2nd C6-S bond is calculated to have a ΔG(≠) of 29.8 kcal/mol, i.e. the 2nd C-S bond formation is calculated to be the rate determining step in the cycle and it leads to the decay of the Fe(2)S(2) cluster. Significant configuration interaction (CI), present in these transition states, helps lower the barrier of these reactions by ~30-25 kcal/mol relative to a hypothetical outer-sphere reaction. The conserved Phe285 residue near the Fe(2)S(2) active site determines the stereo selectivity at the C6 center of this radical coupling reaction. Reaction mechanism of BS investigated using DFT calculations. Strong CI and the Phe285 residue control the kinetic rate and stereochemistry of the product.

  14. Photoionization of Cl+ from the 3s23p4 3P2,1,0 and the 3s23p4 1D2,1S0 states in the energy range 19-28 eV

    NASA Astrophysics Data System (ADS)

    McLaughlin, Brendan M.

    2017-01-01

    Absolute photoionization cross-sections for the Cl+ ion in its ground and the metastable states, 3s23p4 3P2,1,0 and 3s23p4 1D2,1S0, were measured recently at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged beams photon-ion technique at a photon energy resolution of 15 meV in the energy range 19-28 eV. These measurements are compared with large-scale Dirac-Coulomb R-matrix calculations in the same energy range. Photoionization of this sulphur-like chlorine ion is characterized by multiple Rydberg series of auto-ionizing resonances superimposed on a direct photoionization continuum. A wealth of resonance features observed in the experimental spectra is spectroscopically assigned, and their resonance parameters are tabulated and compared with the recent measurements. Metastable fractions in the parent ion beam are determined from this study. Theoretical resonance energies and quantum defects of the prominent Rydberg series 3s23p3nd, identified in the spectra as 3p → nd transitions, are compared with the available measurements made on this element. Weaker Rydberg series 3s23p3ns, identified as 3p → ns transitions and window resonances 3s3p4(4P)np features, due to 3s → np transitions, are also found in the spectra.

  15. Transitions.

    ERIC Educational Resources Information Center

    Field, David; And Others

    1992-01-01

    Includes four articles: "Career Aspirations" (Field); "Making the Transition to a New Curriculum" (Baker, Householder); "How about a 'Work to School' Transition?" (Glasberg); and "Technological Improvisation: Bringing CNC to Woodworking" (Charles, McDuffie). (SK)

  16. Asp1 from Schizosaccharomyces pombe binds a [2Fe-2S](2+) cluster which inhibits inositol pyrophosphate 1-phosphatase activity.

    PubMed

    Wang, Huanchen; Nair, Vasudha S; Holland, Ashley A; Capolicchio, Samanta; Jessen, Henning J; Johnson, Michael K; Shears, Stephen B

    2015-10-27

    Iron-sulfur (Fe-S) clusters are widely distributed protein cofactors that are vital to cellular biochemistry and the maintenance of bioenergetic homeostasis, but to our knowledge, they have never been identified in any phosphatase. Here, we describe an iron-sulfur cluster in Asp1, a dual-function kinase/phosphatase that regulates cell morphogenesis in Schizosaccharomyces pombe. Full-length Asp1, and its phosphatase domain (Asp1(371-920)), were each heterologously expressed in Escherichia coli. The phosphatase activity is exquisitely specific: it hydrolyzes the 1-diphosphate from just two members of the inositol pyrophosphate (PP-InsP) signaling family, namely, 1-InsP7 and 1,5-InsP8. We demonstrate that Asp1 does not hydrolyze either InsP6, 2-InsP7, 3-InsP7, 4-InsP7, 5-InsP7, 6-InsP7, or 3,5-InsP8. We also recorded 1-phosphatase activity in a human homologue of Asp1, hPPIP5K1, which was heterologously expressed in Drosophila S3 cells with a biotinylated N-terminal tag, and then isolated from cell lysates with avidin beads. Purified, recombinant Asp1(371-920) contained iron and acid-labile sulfide, but the stoichiometry (0.8 atoms of each per protein molecule) indicates incomplete iron-sulfur cluster assembly. We reconstituted the Fe-S cluster in vitro under anaerobic conditions, which increased the stoichiometry to approximately 2 atoms of iron and acid-labile sulfide per Asp1 molecule. The presence of a [2Fe-2S](2+) cluster in Asp1(371-920) was demonstrated by UV-visible absorption, resonance Raman spectroscopy, and electron paramagnetic resonance spectroscopy. We determined that this [2Fe-2S](2+) cluster is unlikely to participate in redox chemistry, since it rapidly degraded upon reduction by dithionite. Biochemical and mutagenic studies demonstrated that the [2Fe-2S](2+) cluster substantially inhibits the phosphatase activity of Asp1, thereby increasing its net kinase activity.

  17. Radiative lifetimes of the 2s2p2(4P) metastable levels of N III

    NASA Technical Reports Server (NTRS)

    Fang, Z.; Kwong, Victor H. S.; Parkinson, W. H.

    1993-01-01

    The radiative decay rates of N III 175 nm intersystem lines were measured in the laboratory by recording the time dependence of photon intensities emitted as the 2s2p2(4P) metastable term of N(2+) ions decay to the 2s22p(2P0) ground term. A cylindrical radio frequency ion trap was used to store the electron impact-produced N(2+) ions. The radiative decay signals were analyzed by multiexponential least-squares fits to the data. The measured radiative decay rates to the ground term are 1019(+/- 64)/s for 4P sub 1/2, 74.5(+/- 5.4)/s for 4P sub 3/2, and 308( +/- 22)/s for 4P sub 5/2. Comparisons of the measured values with theoretical values are presented.

  18. Radiative lifetimes of the 2s2p2(4P) metastable levels of N III

    NASA Technical Reports Server (NTRS)

    Fang, Z.; Kwong, Victor H. S.; Parkinson, W. H.

    1993-01-01

    The radiative decay rates of N III 175 nm intersystem lines were measured in the laboratory by recording the time dependence of photon intensities emitted as the 2s2p2(4P) metastable term of N(2+) ions decay to the 2s22p(2P0) ground term. A cylindrical radio frequency ion trap was used to store the electron impact-produced N(2+) ions. The radiative decay signals were analyzed by multiexponential least-squares fits to the data. The measured radiative decay rates to the ground term are 1019(+/- 64)/s for 4P sub 1/2, 74.5(+/- 5.4)/s for 4P sub 3/2, and 308( +/- 22)/s for 4P sub 5/2. Comparisons of the measured values with theoretical values are presented.

  19. Stabilization of telomeric i-motif structures by (2'S)-2'-deoxy-2'-C-methyl-cytidine residues.

    PubMed

    Aviñó, Anna; Dellafiore, Maria; Gargallo, Raimundo; González, Carlos; Iribarren, Adolfo M; Montserrat, Javier; Eritja, Ramon

    2017-04-13

    G-quadruplex and i-motif are tetraplex structures present in telomeres and promoter regions of oncogenes. The possibility of producing nanodevices with pH-sensitive functions has triggered the interest for modified oligonucleotides with improved structural properties. We synthesized C-rich oligonucleotides carrying conformationally restricted (2'S)-2'-deoxy-2'-C-methyl-cytidine units. The effect of this modified nucleoside on the stability of intramolecular i-motifs related to vertebrate telomere was investigated by means of spectroscopic methods (UV, CD and NMR). The replacement of selected positions of the C-core by the appropriate C-modified residues induces the formation of stable intercalated tetraplexes at pHs near neutrality. The study demonstrates the possibility of enhancing the stability of i-motif by chemical modifications.

  20. A model for climate change education in formal and informal settings--C2S2 Climate Change Student Summit

    NASA Astrophysics Data System (ADS)

    Huffman, L. T.; Lynds, S. E.; Rack, F. R.

    2012-12-01

    Through a NOAA Environmental Literacy grant, ANDRILL (ANtarctic geological DRILLing) created a unique opportunity for both formal and informal educators to engage their classrooms/audiences in understanding the complexities of climate change. The program, entitled C2S2: Climate Change Student Summits, included excellent geographical coverage through an exceptional two-workshop professional development series for teachers in each of nine different regions representing the U.S. National Climate Assessment regions defined by the U.S. Global Change Research Program. The program also included a creative, investigative science research and presentation experience for teams of students in each region, culminating in the Climate Change Student Summit, an on-site capstone event including a videoconference connecting all sites. The success of this program is based on combining multiple aspects, such as providing professional development for educators and encouraging the active involvement of research scientists, both in the professional development workshops and in the Student Summit. Another key factor is the close working relationships between informal and formal education entities, including the involvement of informal science learning facilities and informal science education leaders. The program includes the creation and use of cutting-edge curriculum materials available in the ELF, (Environmental Literacy Framework with a focus on climate change) and hands-on resources for teachers and students that provide an earth systems approach to climate change education, which have been successfully used in grades 5-12 as well as at numerous science museums. The C2S2 project has completed four years of activities with demonstrated positive impacts on both students and teachers. This presentation will share the lessons learned about implementing this climate change science education program and suggest that it is a successful model that can be used to scale up this project from

  1. Transition.

    ERIC Educational Resources Information Center

    Thompson, Sandy, Ed.; And Others

    1990-01-01

    This "feature issue" focuses on transition from school to adult life for persons with disabilities. Included are "success stories," brief program descriptions, and a list of resources. Individual articles include the following titles and authors: "Transition: An Energizing Concept" (Paul Bates); "Transition…

  2. Single step transformation of sulphur to Li2S2/Li2S in Li-S batteries

    NASA Astrophysics Data System (ADS)

    Helen, M.; Reddy, M. Anji; Diemant, Thomas; Golla-Schindler, Ute; Behm, R. Jürgen; Kaiser, Ute; Fichtner, Maximilian

    2015-07-01

    Lithium-sulphur batteries have generated tremendous research interest due to their high theoretical energy density and potential cost-effectiveness. The commercial realization of Li-S batteries is still hampered by reduced cycle life associated with the formation of electrolyte soluble higher-order polysulphide (Li2Sx, x = 4-8) intermediates, leading to capacity fading, self-discharge, and a multistep voltage profile. Herein, we have realized a practical approach towards a direct transformation of sulphur to Li2S2/Li2S in lithium-sulphur batteries by alteration of the reaction pathway. A coconut shell derived ultramicroporous carbon-sulphur composite cathode has been used as reaction directing template for the sulphur. The lithiation/delithiation and capacity fading mechanism of microporous carbon confined sulphur composite was revealed by analyzing the subsurface using X-ray photoelectron spectroscopy. No higher-order polysulphides were detected in the electrolyte, on the surface, and in the subsurface of the cathode composite. The altered reaction pathway is reflected by a single-step profile in the discharge/charge of a lithium-sulphur cell.

  3. Single step transformation of sulphur to Li2S2/Li2S in Li-S batteries

    PubMed Central

    Helen, M.; Reddy, M. Anji; Diemant, Thomas; Golla-Schindler, Ute; Behm, R. Jürgen; Kaiser, Ute; Fichtner, Maximilian

    2015-01-01

    Lithium-sulphur batteries have generated tremendous research interest due to their high theoretical energy density and potential cost-effectiveness. The commercial realization of Li-S batteries is still hampered by reduced cycle life associated with the formation of electrolyte soluble higher-order polysulphide (Li2Sx, x = 4–8) intermediates, leading to capacity fading, self-discharge, and a multistep voltage profile. Herein, we have realized a practical approach towards a direct transformation of sulphur to Li2S2/Li2S in lithium-sulphur batteries by alteration of the reaction pathway. A coconut shell derived ultramicroporous carbon-sulphur composite cathode has been used as reaction directing template for the sulphur. The lithiation/delithiation and capacity fading mechanism of microporous carbon confined sulphur composite was revealed by analyzing the subsurface using X-ray photoelectron spectroscopy. No higher-order polysulphides were detected in the electrolyte, on the surface, and in the subsurface of the cathode composite. The altered reaction pathway is reflected by a single-step profile in the discharge/charge of a lithium-sulphur cell. PMID:26173723

  4. A molecular dynamics study of Fe2S2 putidaredoxin: multiple conformations of the C-terminal region.

    PubMed Central

    Roitberg, A E

    1997-01-01

    Putidaredoxin (Pdx) plays an essential role as an electron donor and effector in the biochemical cycle involving cytochrome P450cam. Only recently has an NMR-derived structure for this protein been published, but because of the presence of a paramagnetic Fe2S2 center, the NMR assignment could not be completed for residues within a region of 8 A around the active site. That region was modeled by homology with a related protein. The structural refinement for those experiments was done in vacuum, without the use of electrostatic terms in the force field. The present manuscript will describe and discuss a series of long-time, unrestrained, solution molecular dynamic runs for this system. Results will be presented that construct a molecular-level picture that rationalizes experimental results concerning the conformation and mobility of the C-terminal residue Trp106. At least two different conformers are found for this residue during the simulations. The time scale for interconversion between them is found to be in the subnanosecond regime. The results presented here open the possibility for studying binding and electron transfer between Pdx and P450cam, in a framework that allows for dynamical information to be used during the computational process, instead of the single structures deposited on the protein data base. PMID:9336209

  5. Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity

    NASA Astrophysics Data System (ADS)

    Duan, Defang; Liu, Yunxian; Tian, Fubo; Li, Da; Huang, Xiaoli; Zhao, Zhonglong; Yu, Hongyu; Liu, Bingbing; Tian, Wenjing; Cui, Tian

    2014-11-01

    The high pressure structures, metallization, and superconductivity of recently synthesized H2-containing compounds (H2S)2H2 are elucidated by ab initio calculations. The ordered crystal structure with P1 symmetry is determined, supported by the good agreement between theoretical and experimental X-ray diffraction data, equation of states, and Raman spectra. The Cccm structure is favorable with partial hydrogen bond symmetrization above 37 GPa. Upon further compression, H2 molecules disappear and two intriguing metallic structures with R3m and Im-3m symmetries are reconstructive above 111 and 180 GPa, respectively. The predicted metallization pressure is 111 GPa, which is approximately one-third of the currently suggested metallization pressure of bulk molecular hydrogen. Application of the Allen-Dynes-modified McMillan equation for the Im-3m structure yields high Tc values of 191 K to 204 K at 200 GPa, which is among the highest values reported for H2-rich van der Waals compounds and MH3 type hydride thus far.

  6. Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity

    PubMed Central

    Duan, Defang; Liu, Yunxian; Tian, Fubo; Li, Da; Huang, Xiaoli; Zhao, Zhonglong; Yu, Hongyu; Liu, Bingbing; Tian, Wenjing; Cui, Tian

    2014-01-01

    The high pressure structures, metallization, and superconductivity of recently synthesized H2-containing compounds (H2S)2H2 are elucidated by ab initio calculations. The ordered crystal structure with P1 symmetry is determined, supported by the good agreement between theoretical and experimental X-ray diffraction data, equation of states, and Raman spectra. The Cccm structure is favorable with partial hydrogen bond symmetrization above 37 GPa. Upon further compression, H2 molecules disappear and two intriguing metallic structures with R3m and Im-3m symmetries are reconstructive above 111 and 180 GPa, respectively. The predicted metallization pressure is 111 GPa, which is approximately one-third of the currently suggested metallization pressure of bulk molecular hydrogen. Application of the Allen-Dynes-modified McMillan equation for the Im-3m structure yields high Tc values of 191 K to 204 K at 200 GPa, which is among the highest values reported for H2-rich van der Waals compounds and MH3 type hydride thus far. PMID:25382349

  7. Long-range interactions of hydrogen atoms in excited states. II. Hyperfine-resolved (2 S -2 S ) systems

    NASA Astrophysics Data System (ADS)

    Jentschura, U. D.; Debierre, V.; Adhikari, C. M.; Matveev, A.; Kolachevsky, N.

    2017-02-01

    The interaction of two excited hydrogen atoms in metastable states constitutes a theoretically interesting problem because of the quasidegenerate 2 P1 /2 levels that are removed from the 2 S states only by the Lamb shift. The total Hamiltonian of the system is composed of the van der Waals Hamiltonian, the Lamb shift, and the hyperfine effects. The van der Waals shift becomes commensurate with the 2 S -2 P3 /2 fine-structure splitting only for close approach (R <100 a0 , where a0 is the Bohr radius) and one may thus restrict the discussion to the levels with n =2 and J =1 /2 to a good approximation. Because each S or P state splits into an F =1 triplet and an F =0 hyperfine singlet (eight states for each atom), the Hamiltonian matrix a priori is of dimension 64. A careful analysis of the symmetries of the the problem allows one to reduce the dimensionality of the most involved irreducible submatrix to 12. We determine the Hamiltonian matrices and the leading-order van der Waals shifts for states that are degenerate under the action of the unperturbed Hamiltonian (Lamb shift plus hyperfine structure). The leading first- and second-order van der Waals shifts lead to interaction energies proportional to 1 /R3 and 1 /R6 and are evaluated within the hyperfine manifolds. When both atoms are metastable 2 S states, we find an interaction energy of order Ehχ (a0/R ) 6 , where Eh and L are the Hartree and Lamb shift energies, respectively, and χ =Eh/L ≈6.22 ×106 is their ratio.

  8. Accessing Ni(III)-thiolate versus Ni(II)-thiyl bonding in a family of Ni-N2S2 synthetic models of NiSOD.

    PubMed

    Broering, Ellen P; Dillon, Stephanie; Gale, Eric M; Steiner, Ramsey A; Telser, Joshua; Brunold, Thomas C; Harrop, Todd C

    2015-04-20

    Superoxide dismutase (SOD) catalyzes the disproportionation of superoxide (O2(• -)) into H2O2 and O2(g) by toggling through different oxidation states of a first-row transition metal ion at its active site. Ni-containing SODs (NiSODs) are a distinct class of this family of metalloenzymes due to the unusual coordination sphere that is comprised of mixed N/S-ligands from peptide-N and cysteine-S donor atoms. A central goal of our research is to understand the factors that govern reactive oxygen species (ROS) stability of the Ni-S(Cys) bond in NiSOD utilizing a synthetic model approach. In light of the reactivity of metal-coordinated thiolates to ROS, several hypotheses have been proffered and include the coordination of His1-Nδ to the Ni(II) and Ni(III) forms of NiSOD, as well as hydrogen bonding or full protonation of a coordinated S(Cys). In this work, we present NiSOD analogues of the general formula [Ni(N2S)(SR')](-), providing a variable location (SR' = aryl thiolate) in the N2S2 basal plane coordination sphere where we have introduced o-amino and/or electron-withdrawing groups to intercept an oxidized Ni species. The synthesis, structure, and properties of the NiSOD model complexes (Et4N)[Ni(nmp)(SPh-o-NH2)] (2), (Et4N)[Ni(nmp)(SPh-o-NH2-p-CF3)] (3), (Et4N)[Ni(nmp)(SPh-p-NH2)] (4), and (Et4N)[Ni(nmp)(SPh-p-CF3)] (5) (nmp(2-) = dianion of N-(2-mercaptoethyl)picolinamide) are reported. NiSOD model complexes with amino groups positioned ortho to the aryl-S in SR' (2 and 3) afford oxidized species (2(ox) and 3(ox)) that are best described as a resonance hybrid between Ni(III)-SR and Ni(II)-(•)SR based on ultraviolet-visible (UV-vis), magnetic circular dichroism (MCD), and electron paramagnetic resonance (EPR) spectroscopies, as well as density functional theory (DFT) calculations. The results presented here, demonstrating the high percentage of S(3p) character in the highest occupied molecular orbital (HOMO) of the four-coordinate reduced form of NiSOD (Ni

  9. Accessing Ni(III)-Thiolate Versus Ni(II)-Thiyl Bonding in a Family of Ni–N2S2 Synthetic Models of NiSOD

    PubMed Central

    Broering, Ellen P.; Dillon, Stephanie; Gale, Eric M.; Steiner, Ramsey A.; Telser, Joshua; Brunold, Thomas C.; Harrop, Todd C.

    2015-01-01

    Superoxide dismutase (SOD) catalyzes the disproportionation of superoxide (O2• −) into H2O2 and O2(g) by toggling through different oxidation states of a first-row transition metal ion at its active site. Ni-containing SODs (NiSODs) are a distinct class of this family of metalloenzymes due to the unusual coordination sphere that is comprised of mixed N/S-ligands from peptide-N and cysteine-S donor atoms. A central goal of our research is to understand the factors that govern reactive oxygen species (ROS) stability of the Ni–S(Cys) bond in NiSOD utilizing a synthetic model approach. In light of the reactivity of metal-coordinated thiolates to ROS, several hypotheses have been proffered and include the coordination of His1-Nδ to the Ni(II) and Ni(III) forms of NiSOD, as well as hydrogen bonding or full protonation of a coordinated S(Cys). In this work, we present NiSOD analogues of the general formula [Ni(N2S)(SR′)]−, providing a variable location (SR′ = aryl thiolate) in the N2S2 basal plane coordination sphere where we have introduced o-amino and/or electron-withdrawing groups to intercept an oxidized Ni species. The synthesis, structure, and properties of the NiSOD model complexes (Et4N)[Ni(nmp)(SPh-o-NH2)] (2), (Et4N)[Ni(nmp)(SPh-o-NH2-p-CF3)] (3), (Et4N)[Ni(nmp)(SPh-p-NH2)] (4), and (Et4N)[Ni(nmp)(SPh-p-CF3)] (5) (nmp2− = dianion of N-(2-mercaptoethyl)picolinamide) are reported. NiSOD model complexes with amino groups positioned ortho to the aryl-S in SR′ (2 and 3) afford oxidized species (2ox and 3ox) that are best described as a resonance hybrid between Ni(III)-SR and Ni(II)-•SR based on ultraviolet–visible (UV-vis), magnetic circular dichroism (MCD), and electron paramagnetic resonance (EPR) spectroscopies, as well as density functional theory (DFT) calculations. The results presented here, demonstrating the high percentage of S(3p) character in the highest occupied molecular orbital (HOMO) of the four-coordinate reduced form of NiSOD (Ni

  10. Crystal structure, Hirshfeld surface, physicochemical, thermal and DFT studies of (N1E, N2E)-N1,N2-bis((5-bromothiophen-2-yl)methylene)ethane-1,2-diamine N2S2 ligand and its [CuBr(N2S2)]Br complex

    NASA Astrophysics Data System (ADS)

    Warad, Ismail; Al-Demeri, Yasmin; Al-Nuri, Mohammed; Shahwan, Said; Abdoh, Muneer; Naveen, Shivalingegowda; Lokanath, Neartur Krishnappagowda; Mubarak, Mohammad S.; Ben Hadda, Taibi; Mabkhot, Yahia N.

    2017-08-01

    A new tetradentate N2S2 Schiff base ligand derived from 5-bromothiophene-2-carbaldehyde and its [CuBr(N2S2)]Br complex were synthesized in good yield. FT-IR was investigated to monitor the condensation reaction during the ligand synthesis process. The ligand, N2S2, and its complex, [CuBr(N2S2)]Br, complex have been characterized with the aid of several spectroscopic techniques such as UV-vis., MS, FT-IR, EA, EDS, NMR (for N2S2), as well as by thermal (TG/DTG) analysis. In addition, cyclic voltammetry has been employed to examine the redox behavior of [CuBr(N2S2)]Br complex in N,N'-dimethylformamide (DMF) containing 0.10 M tetra-n-butylammonium perchlorate (TBAP). The anti-conformation EE isomer of the ligand (N2S2) was confirmed by means of X-ray crystallography; ligand crystallizes in to the monoclinic P21/c space group. N2S2 ligand was subjected to DFT-theoretical calculations and results are consistent with the experimental chemical analysis.

  11. Evaluation of hydrogen-bonding and enantiomeric P2-S2 hydrophobic contacts in dynamic aspects of molecular recognition by papain.

    PubMed Central

    Patel, M; Kayani, I S; Templeton, W; Mellor, G W; Thomas, E W; Brocklehurst, K

    1992-01-01

    1. 2-(N'-Acetyl-D-phenylalanyl)hydroxyethyl 2'-pyridyl disulphide (compound IV) (m.p. 59 degrees C; [alpha]D20 -6.6 degrees (c 1.2 in methanol)) was synthesized. 2. The results of a study of the pH-dependence of the second-order rate constant (k) for its reaction with the catalytic-site thiol group (Cys-25) of papain (EC 3.4.22.2) together with analogous kinetic data for the reactions of related time-dependent inhibitors, notably the L-enantiomer of compound (IV) (compound III) and the L- and D-enantiomers of 2-(N'-acetylphenylalanylamino)ethyl 2'-pyridyl disulphide (compounds I and II respectively), were used to assess the contributions of the (P1)-NH ... O = C < (Asp-158) and (P2) > C = O ... H-N-(Gly-66) hydrogen bonds and enantiomeric P2-S2 hydrophobic contacts in two manifestations of dynamic molecular recognition in papain-ligand association: (a) signalling to the catalytic-site region to provide for a (His-159)-IM(+)-H-assisted transition state and (b) the dependence of P2-S2 stereoselectivity on hydrogen-bonding interactions outside the S2 subsite. The analysis involved determination of the reactivities of individual ionization states of the reactions (pH-independent rate constants, k) and associated macroscopic pKa values and difference kinetic specificity energies (delta delta GKS = -RT1n(k1/k2), where k1 is the pH-independent second-order rate constant for reaction with one inhibitor and k2 is the analogous rate constant in the same ionization state for reaction with another inhibitor so that, when the structural change provides that k2 > k1, delta delta GKS is positive. 3. The kinetic data further illuminate the nature of the interdependence of binding interactions in papain first noted by Kowlessur, Topham, Thomas, O'Driscoll, Templeton & Brocklehurst [(1989) Biochem. J. 258, 755-764] in the S2 subsite, S1-S2 intersubsite and catalytic-site regions. Of particular note is the apparent dependence of the binding of the N-Ac-D-Phe moiety on the binding of

  12. Density functional theory calculations on the Fe2S2(Arg)(SCys)(SSCys)2 cluster in HydE: unique electronic structure and redox properties.

    PubMed

    Dey, Abhishek

    2011-01-17

    A Fe2S2 cluster with unprecedented CysSS(-) (cysteinepersulfide) coordination has been observed crystallographically in the AdoMet-dependent hydrogenase maturase enzyme HydE. Geometry-optimized density functional theory calculations are used to develop an electronic structure description of this unusual cluster. The results indicate that the CysSS(-) ligand is unique because it can act as a donor as well as an acceptor ligand. This is due to the presence of S-S π* (occupied) and S-S σ* (unoccupied) orbitals in this ligand. Extensive back-bonding is observed between the cluster and the S-S σ* orbital. The back-bonding is significantly higher in the reduced state, which is calculated to shift the reduction potential of this Fe2S2 cluster by +400 mV in the gas phase relative to a CysS(-)-coordinated Fe2S2 cluster model of BioB.

  13. The promoter effect and a rate expression of the catalytic incineration of (CH3)2S2 over an improved CuO-MoO3/gamma-Al2O3 catalyst.

    PubMed

    Wang, Ching-Huei; Lin, Shiow-Shyung; Liou, Shen-Ben; Weng, Hung-Shan

    2002-10-01

    The CuO-MoO3/gamma-Al2O3 catalyst, confirmed previously as having good activity in the catalytic incineration of (CH3)2S2, was employed as the principal catalyst in this study. With the aim of improving catalyst activity and resistance to deactivation by sulfur compounds, a promoter was added either before adding the precursors of Cu and Mo or together with Cu and Mo onto the gamma-Al2O3. Promoters included transition metals and elements from groups IA-VIIA in the chemical periodic table. Experimental results reveal Cr2O3 as the most effective promoter, with an optimal composition of 5 wt.% Cu, 6 wt.% Mo and 4 wt.% Cr (designated as Cu(5)-Mo(6)-Cr(4)/gamma-Al2O3). Knowing that higher acidity can improve activity, we further investigated the effect of acid treatment on the performance of the Cu(5)-Mo(6)-Cr(4)/gamma-Al2O3 catalyst. Experimental results indicate the H2SO4-treated catalyst (Cu(5)-Mo(6)-Cr(4)/sulfated-gamma-Al2O3) has a better activity and durability. A study for finding an appropriate rate expression for the catalytic incineration of (CH3)2S2 by Cu(5)-Mo(6)-Cr(4)/sulfated-gamma-Al2O3 was carried out in a differential reactor. The results show that the Mars-Van Krevelen model is applicable to this destructive oxidation reaction. Results additionally reveal that competitive adsorption of CH4 reduces conversion of (CH3)2S2.

  14. Synthesis of (2S)-2-amino-7,8-epoxyoctanoic Acid and Structure of its Metal-Bridging Complex with Human Arginase I

    SciTech Connect

    Zakharian, T.; Di Costanzo, L; Christianson, D

    2008-01-01

    The synthesis of (2S)-2-amino-7,8-epoxyoctanoic acid is reported along with the X-ray crystal structure of its complex with human arginase I, revealing unique coordination interactions with two manganese ions in the enzyme active site.

  15. Bandgap narrowing in the layered oxysulfide semiconductor Ba3Fe2O5Cu2S2: Role of FeO2 layer

    NASA Astrophysics Data System (ADS)

    Han, Zhang; Shifeng, Jin; Liwei, Guo; Shijie, Shen; Zhiping, Lin; Xiaolong, Chen

    2016-02-01

    A new layered Cu-based oxychalcogenide Ba3Fe2O5Cu2S2 has been synthesized and its magnetic and electronic properties were revealed. Ba3Fe2O5Cu2S2 is built up by alternatively stacking [Cu2S2]2- layers and iron perovskite oxide [(FeO2)(BaO)(FeO2)]2- layers along the c axis that are separated by barium ions with Fe3+ fivefold coordinated by a square-pyramidal arrangement of oxygen. From the bond valence arguments, we inferred that in layered CuCh-based (Ch = S, Se, Te) compounds the +3 cation in perovskite oxide sheet prefers a square pyramidal site, while the lower valence cation prefers the square planar sites. The studies on susceptibility, transport, and optical reflectivity indicate that Ba3Fe2O5Cu2S2 is an antiferromagnetic semiconductor with a Néel temperature of 121 K and an optical bandgap of 1.03 eV. The measurement of heat capacity from 10 K to room temperature shows no anomaly at 121 K. The Debye temperature is determined to be 113 K. Theoretical calculations indicate that the conduction band minimum is predominantly contributed by O 2p and 3d states of Fe ions that antiferromagnetically arranged in FeO2 layers. The Fe 3d states are located at lower energy and result in a narrow bandgap in comparison with that of the isostructural Sr3Sc2O5Cu2S2. Project supported by the National Natural Science Foundation of China (Grant Nos. 51472266, 51202286, and 91422303), the Strategic Priority Research Program (B) of the Chinese Academy of Sciences (Grant No. XDB07020100) and the ICDD.

  16. Laboratory Measurements And Modeling Of Molecular Photoabsorption Cross Sections In The Ultraviolet: N2, So2, S2, Co2

    NASA Astrophysics Data System (ADS)

    Stark, Glenn; Smith, P. L.; Lewis, B. R.; Heays, A. N.; Blackie, D.; Pickering, J.

    2010-10-01

    Our research program comprises the measurement and modeling of ultraviolet molecular photoabsorption cross sections with the highest practical resolution. Measurement and modeling efforts on molecular nitrogen, sulfur dioxide, diatomic sulfur, and carbon dioxide are in progress. N2: We measure line f-values and widths within the complex spectrum between 80 and 100 nm. Our measurements are incorporated into a theoretical model of the absorption spectrum of N2 which has established the mechanisms responsible for predissociation and reproduces the observed features in all N2 isotopomers as a function of temperature. SO2: We provide astronomers with high-resolution cross section data for the complex ultraviolet SO2 absorption spectrum. Using the Imperial College VUV Fourier transform spectrometer, we have completed and published cross sections from 198 to 325 nm (295 K) and from 199 to 220 nm (160 K). We have completed work on further low-temperature measurements from 220 to 325 nm. S2: Interpretations of atmospheric (Io, Jupiter) S2 absorption features are hindered by a complete lack of laboratory cross sections in the ultraviolet. We have begun to quantify the photoabsorption spectrum of S2 from 200 to 300 nm. We have designed an experimental apparatus to produce a stable column of S2 vapor. Measurements of S2 absorption features at high resolution will be complemented by coupled-channel calculations of the relevant transitions. CO2: The photodissociation of CO2 is a fundamental photochemical process in the atmospheres of Mars and Venus. Our research centers on the measurement of high resolution cross sections from 87 to 120 nm. We have completed measurements at 295 K and 195 K over the 106 to 120 nm region. We have recently completed preliminary room temperature measurements in the 87 to 106 nm region. We acknowledge grant support from NASA (NNX08AE78G), STFC-PPARC, and ARC (DP0558962).

  17. (Ba1-xKx)(Cu2-xMnx)Se2: A copper-based bulk form diluted magnetic semiconductor with orthorhombic BaCu2S2-type structure

    NASA Astrophysics Data System (ADS)

    Guo, Shengli; Man, Huiyuan; Gong, Xin; Ding, Cui; Zhao, Yao; Chen, Bin; Guo, Yang; Wang, Hangdong; Ning, F. L.

    2016-02-01

    A new copper-based bulk form diluted magnetic semiconductor (DMS) (Ba1-xKx)(Cu2-xMnx)Se2 (x=0.075, 0.10, 0.125, and 0.15) with TC ∼18 K has been synthesized. K substitution for Ba introduces hole-type carriers, while Mn substitution for Cu provides local spins. Different from previous reported DMSs, this material crystallizes into orthorhombic BaCu2S2-type crystal structure. No ferromagnetism is observed when only doping Mn, and clear ferromagnetic transition and hysteresis loop have been observed as K and Mn are codoped into the parent compound BaCu2Se2.

  18. Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.

    PubMed

    Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y

    2017-02-08

    The control of aggregation at sulfur by metallodithiolates (MN2S2) has made them prime candidates as building blocks for the synthesis of biomimetics of various bimetallic enzyme active sites, with reactivity consequences implicating redox control by both metal centers. Recent studies of MN2S2 (M = Ni(2+), Fe(NO)(2+)) bound to [(η(5)-C5H5)Fe(CO)](+) as electrocatalysts for proton reduction, the hydrogen evolution reaction, demonstrated reduction-induced hemi-lability of the bridging cis-dithiolates as a key step in the electrochemical proton reduction process (Ding, et al., J. Am. Chem. Soc., 2016, 138, 12920-12927). The MN2S2·Fe(η(5)-C5R5)(CO) platform offers numerous possibilities for tuning the electronic character of the M(μ-S2)Fe core. As well as modifying M within the metallodithiolate ligand, replacing H by CH3 at the η(5)-C5R5 moiety increases the electron density at the Fe center, which might facilitate the reductive Fe-S bond cleavage. Although release of a free thiolate in these hemi-labile ligands creates a needed internal pendant base, this benefit might be countered by the increase in over-potential for addition of the first electron. Herein we report the preparation and characterization of four bimetallic aggregates with the (η(5)-C5R5)Fe(CO) (R = H, CH3; Fe' or Fe*', respectively) or the dicarbonyl (η(5)-C5R5)Fe(CO)2 scaffold (R = H, CH3; Fe'' or Fe*'', respectively) bound to redox active MN2S2 ligands (M = Ni(2+), Co(NO)(2+); N2S2 = bismercaptoethane diazacycloheptane) Co-Fe*', Ni-Fe*', Co-Fe' and Co-Fe*'' complexes. The bidentate complexes were found to be electrocatalysts for proton reduction, although at high over-potential, especially for the derivatives of the electron-rich (η(5)-C5(CH3)5)Fe(CO)(+). The turnover (TON) and turnover frequencies (TOF) were determined and found to be comparable to the previously reported MN2S2·Fe(η(5)-C5H5)(CO)(+) analogues.

  19. Escherichia coli biotin synthase produces selenobiotin. Further evidence of the involvement of the [2Fe-2S]2+ cluster in the sulfur insertion step.

    PubMed

    Tse Sum Bui, Bernadette; Mattioli, Tony A; Florentin, Dominique; Bolbach, Gérard; Marquet, Andrée

    2006-03-21

    Biotin synthase, a member of the "radical SAM" family, catalyzes the final step of the biotin biosynthetic pathway, namely, the insertion of a sulfur atom into dethiobiotin. The as-isolated enzyme contains a [2Fe-2S](2+) cluster, but the active enzyme requires an additional [4Fe-4S](2+) cluster, which is formed in the presence of Fe(NH(4))(2)(SO(4))(2) and Na(2)S in the in vitro assay. The role of the [4Fe-4S](2+) cluster is to mediate the electron transfer to SAM, while the [2Fe-2S](2+) cluster is involved in the sulfur insertion step. To investigate the selenium version of the reaction, we have depleted the enzyme of its iron and sulfur and reconstituted the resulting apoprotein with FeCl(3) and Na(2)Se to yield a [2Fe-2Se](2+) cluster. This enzyme was assayed in vitro with Na(2)Se in place of Na(2)S to enable the formation of a [4Fe-4Se](2+) cluster. Selenobiotin was produced, but the activity was lower than that of the as-isolated [2Fe-2S](2+) enzyme in the presence of Na(2)S. The [2Fe-2Se](2+) enzyme was additionally assayed with Na(2)S, to reconstitute a [4Fe-4S](2+) cluster, in case the latter was more efficient than a [4Fe-4Se](2+) cluster for the electron transfer. Indeed, the activity was improved, but in that case, a mixture of biotin and selenobiotin was produced. This was unexpected if one considers the [2Fe-2S](2+) center as the sulfur source (either as the ultimate donor or via another intermediate), unless some exchange of the chalcogenide has taken place in the cluster. This latter point was seen in the resonance Raman spectrum of the reacted enzyme which clearly indicated the presence of both the [2Fe-2Se](2+) and [2Fe-2S](2+) clusters. No exchange was observed in the absence of reaction. These observations bring supplementary proof that the [2Fe-2S](2+) cluster is implicated in the sulfur insertion step.

  20. Calculation of the Ti(C y N1- y )-Ti4C2S2-MnS-austenite equilibrium in Ti-bearing steels

    NASA Astrophysics Data System (ADS)

    Liu, W. J.; Jonas, J. J.

    1989-08-01

    A thermodynamic model is presented for the equilibria among various precipitates (Ti(C y N1- y ), Ti4C2S2, and MnS) and austenite containing six alloying elements (C, Mn, N, S, Si, and Ti). This model is applied to four microalloyed steels with Ti levels of 0.05, 0.11, 0.18, and 0.25 pct. The calculations show that the Ti in these steels cannot be completely dissolved over the austenite temperature range. However, the compositions of the undissolved Ti carbonitrides differ significantly from pure TiN, as 10 to 40 pct of the nitrogen is replaced by carbon. An expression for the Gibbs energy for the formation of Ti4C2S2 in austenite is estimated. The present predictions are compared with those of the Hudd, Jones, and Kale (HJK) model; considerable differences are observed at temperatures below 1250°C.

  1. Influence of Cd2+/S2- molar ratio and of different capping environments in the optical properties of CdS nanoparticles incorporated within a hybrid diureasil matrix

    NASA Astrophysics Data System (ADS)

    Gonçalves, Luis F. F. F.; Silva, Carlos J. R.; Kanodarwala, Fehmida K.; Stride, John A.; Pereira, Mario R.; Gomes, Maria J. M.

    2014-09-01

    The incorporation of CdS nanoparticles (NPs), as prepared through colloidal methods using reverse micelles, within diureasil hybrid organic-inorganic sol-gel matrices was investigated. Several experimental conditions, namely the influence of capping agent 3-mercaptopropyltrimethoxysilane (MPTMS) or the use of tetraethoxysilane (TEOS), were studied in order to assure the preservation of the original optical properties of colloidal CdS NPs after the incorporation of the NPs within the solid diureasil hybrid matrix. The diureasil matrix is based on a siliceous network cross linked through urea bonds to poly(oxyethylene)/poly(oxypropylene) (PEO/PPO) chains. The influence of the Cd2+/S2- molar ratio of the NPs in the stability and dispersion of the NPs within the diureasil matrix was also investigated. The obtained CdS doped hybrid matrix was characterized by absorption, steady-state and time-resolved photoluminescence (PL) spectroscopy and by transmission electron microscopy (TEM). The stability of the CdS NPs within the hybrid matrix showed to be dependent on the Cd2+/S2- molar ratio used in the synthesis of the NPs. The use of MPTMS proved to be crucial in the preservation of the original optical properties of the colloidal CdS NPs after the incorporation of the NPs within the hybrid matrix. The effect of MPTMS was in turn influenced by the Cd2+/S2- molar ratio employed in the synthesis of the CdS NPs. The use of MPTMS was less effective when Cd2+/S2- molar ratio equal to 0.5 was used. In the absence of MPTMS or TEOS larger NPs size distribution and clustering of the CdS NPs were obtained after the transfer of the NPs into the hybrid matrix.

  2. 10-23 DNAzyme modified with (2'R)- and (2'S)-2'-deoxy-2'-C-methyluridine in the catalytic core.

    PubMed

    Robaldo, Laura; Montserrat, Javier M; Iribarren, Adolfo M

    2010-08-01

    The catalytic core of a 10-23 DNAzyme was modified using (2'R), (2'S)-2'-deoxy-2'-C-methyluridine and LNA-T. Catalytic activities under pseudo first order conditions were compared at different Mg(2+) concentrations, indicating that certain 2'-C-methyl modified DNAzymes have significant activities. Resistance against MCF-7 cell lysate and endonuclease RQ1 was also measured, showing that the introduction of 2'-C-methyl-2'-deoxynucleosides increased the stability.

  3. Monooxorhenium(V) complexes with 222-N2S2 MAMA ligands for bifunctional chelator agents: Syntheses and preliminary in vivo evaluation.

    PubMed

    Demoin, Dustin Wayne; Dame, Ashley N; Minard, William D; Gallazzi, Fabio; Seickman, Gary L; Rold, Tammy L; Bernskoetter, Nicole; Fassbender, Michael E; Hoffman, Timothy J; Deakyne, Carol A; Jurisson, Silvia S

    2016-12-01

    Targeted radiotherapy using the bifunctional chelate approach with (186/188)Re(V) is challenging because of the susceptibility of monooxorhenium(V)-based complexes to oxidize in vivo at high dilution. A monoamine-monoamide dithiol (MAMA)-based bifunctional chelating agent was evaluated with both rhenium and technetium to determine its utility for in vivo applications. A 222-MAMA chelator, 222-MAMA(N-6-Ahx-OEt) bifunctional chelator, and 222-MAMA(N-6-Ahx-BBN(7-14)NH2) were synthesized, complexed with rhenium, radiolabeled with (99m)Tc and (186)Re (carrier added and no carrier added), and evaluated in initial biological distribution studies. An IC50 value of 2.0±0.7nM for (nat)ReO-222-MAMA(N-6-Ahx-BBN(7-14)NH2) compared to [(125)I]-Tyr(4)-BBN(NH2) was determined through competitive cell binding assays with PC-3 tumor cells. In vivo evaluation of the no-carrier added (99m)Tc-222-N2S2(N-6-Ahx-BBN(7-14)NH2) complex showed little gastric uptake and blockable pancreatic uptake in normal mice. The (186)ReO-222-N2S2(N-6-Ahx-BBN(7-14)NH2) complex showed stability in biological media, which indicates that the 222-N2S2 chelator is appropriate for chelating (186/188)Re in radiopharmaceuticals involving peptides. Additionally, the in vitro cell studies showed that the ReO-222-N2S2(N-6-Ahx-BBN(7-14)NH2) complex (macroscopically) bound to PC3-tumor cell surface receptors with high affinity. The (99m)Tc analog was stable in vivo and exhibited pancreatic uptake in mice that was blockable, indicating BB2r targeting. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. Variation in the P2-S2 stereochemical selectivity towards the enantiomeric N-acetylphenylalanylglycine 4-nitroanilides among the cysteine proteinases papain, ficin and actinidin.

    PubMed

    Patel, M; Kayani, I S; Mellor, G W; Sreedharan, S; Templeton, W; Thomas, E W; Thomas, M; Brocklehurst, K

    1992-01-15

    1. Values of the kinetic specificity constant, kcat./Km, for the hydrolysis of N-acetyl-L-phenylalanylglycine 4-nitroanilide (I) and of its D-enantiomer (II) catalysed by ficin (EC 3.4.22.3) and by actinidin (EC 3.4.22.14) at pH 6.0, I 0.1 mol/l, 8.3% (v/v) NN-dimethylformamide and 25 degrees C were determined by using initial-rate data with [S] much less than Km and weighted nonlinear regression analysis as: for ficin, (kcat./Km)L = 271 +/- 6 M-1.s-1, (kcat./Km)D = 2.9 +/- 0.1 M-1.s-1, and for actinidin (kcat./Km)L = 13.3 +/- 0.7 M-1.s-1, (kcat/Km)D = 0.34 +/- 0.01 M-1.s-1.2. These data and analogous values for the corresponding reactions catalysed by papain (EC 3.4.22.2), (kcat./Km)L = 2064 +/- 31 M-1.s-1, (kcat./Km)D = 5.5 +/- 0.1 M-1.s-1, demonstrate marked variation in stereochemical selectivity for substrates (I) and (II) among the three cysteine proteinases with the following values for the index of stereochemical selectivity Iss = (kcat./Km)L/(kcat./Km)D: for papain, 375; for ficin 93; for actinidin 39. 3. Model building suggests ways in which, for the papain-catalysed reactions, binding interactions involving the extended acyl groups of the substrates may need to change as the reaction proceeds from adsorptive complex (ES) to tetrahedral intermediate (THI) before its rate-determining, general acid-catalysed collapse to acylenzyme intermediate. In particular, satisfactory alignment in the catalytic site at the THI stage of the acylation process appears to demand rotation of the substrate moiety about its long axis. 4. The different consequences of this rotation for the L- and D-enantiomers suggest that for closely related systems the greater the extent of this rotational adjustment the greater would be the value of Iss.5. For the actinidin-substrate combinations, model building suggests that even at the ES complex stage of catalysis it is not possible to approach optimized P2-S2 contacts and the three hydrogen-bonding interactions deduced for papain

  5. Molybdenum(VI) oxosulfato complexes in MoO3-K2S2O7-K2SO4 molten mixtures: stoichiometry, vibrational properties, and molecular structures.

    PubMed

    Kalampounias, Angelos G; Tsilomelekis, George; Berg, Rolf W; Boghosian, Soghomon

    2012-09-06

    The structural and vibrational properties of molybdenum(VI) oxosulfato complexes formed in MoO(3)–K(2)S(2)O(7) and MoO(3)–K(2)S(2)O(7)–K(2)SO(4) molten mixtures under an O(2) atmosphere and static equilibrium conditions were studied by Raman spectroscopy at temperatures of 400–640 °C. The corresponding composition effects were explored in the X(MoO)(3)(0) = 0–0.5 range. MoO(3) undergoes a dissolution reaction in molten K(2)S(2)O(7), and the Raman spectra point to the formation of molybdenum(VI) oxosulfato complexes. The Mo═O stretching region of the Raman spectrum provides sound evidence for the occurrence of a dioxo Mo(═O)(2) configuration as a core. The stoichiometry of the dissolution reaction MoO(3) + nS(2)O(7)(2–) → C(2n–) was inferred by exploiting the Raman band intensities, and it was found that n = 1. Therefore, depending on the MoO(3 content, monomeric MoO(2)(SO(4))(2)(2–) and/or associated [MoO(2)(SO(4))(2)](m)(2m–) complexes are formed in the binary MoO(3)–K(2)S(2)O(7) molten system, and pertinent structural models are proposed in full consistency with the Raman data. A 6-fold coordination around Mo is inferred. Adjacent MoO(2)(2+) cores are linked by bidentate bridging sulfates. With increasing temperature at concentrated melts (i.e., high X(MoO)(3)(0)), the observed spectral changes can be explained by partial dissociation of [MoO(2)(SO(4))(2)](m)(2m–) by detachment of S(2)O(7)(2–) and formation of a Mo—O—Mo bridge. Addition of K(2)SO(4) in MoO(3)–K(2)S(2)O(7) results in a “follow-up” reaction and formation of MoO(2)(SO(4))(3)(4–) and/or associated [MoO(2)(SO(4))(3)](m)(4m–) complexes in the ternary MoO(3)–K(2)S(2)O(7)–K(2)SO(4) molten system. The 6-fold Mo coordination comprises two oxide ligands and four O atoms linking to coordinated sulfate groups in various environments of reduced symmetry. The most characteristic Raman bands for the molybdenum(VI) oxosulfato complexes pertain to the Mo(═O)(2

  6. IscS from Archaeoglobus fulgidus has no desulfurase activity but may provide a cysteine ligand for [Fe2S2] cluster assembly.

    PubMed

    Pagnier, Adrien; Nicolet, Yvain; Fontecilla-Camps, Juan C

    2015-06-01

    Iron sulfur ([Fe-S]) clusters are essential prosthetic groups involved in fundamental cell processes such as gene expression regulation, electron transfer and Lewis acid base chemistry. Central components of their biogenesis are pyridoxal-5'-phosphate (PLP) dependent l-cysteine desulfurases, which provide the necessary S atoms for [Fe-S] cluster assembly. The archaeon Archaeoglobus fulgidus (Af) has two ORFs, which although annotated as l-cysteine desulfurases of the ISC type (IscS), lack the essential Lys residue (K199 in Af) that forms a Schiff base with PLP. We have previously determined the structure of an Af(IscU-D35A-IscS)2 complex heterologously expressed in Escherichia coli and found it to contain a [Fe2S2] cluster. In order to understand the origin of sulfide in that structure we have performed a series of functional tests using wild type and mutated forms of AfIscS. In addition, we have determined the crystal structure of an AfIscS-D199K mutant. From these studies we conclude that: i) AfIscS has no desulfurase activity; ii) in our in vitro [Fe2S2] cluster assembly experiments, sulfide ions are non-enzymatically generated by a mixture of iron, l-cysteine and PLP and iii) the physiological role of AfIscS may be to provide a cysteine ligand to the nascent cluster as observed in the [Fe2S2]-Af(IscU-D35A-IscS)2 complex. This article is part of a Special Issue entitled: Fe/S proteins: Analysis, structure, function, biogenesis and diseases.

  7. Theoretical investigation of Cu-containing materials with different valence structure types: BaCu2S2, Li2CuSb, and LiCuS

    NASA Astrophysics Data System (ADS)

    Soliman, S.

    2014-08-01

    Optoelectronics research requires cheap materials with a broad spectrum of optical, electronic, and structural properties. The class of Heusler compounds and ternary structures provide many possibilities for finding alternative group IV and III-V semiconductor compounds. This study introduces wider band gap materials for use in solar cells as an alternative to cadmium sulfide buffer layers. The buffer layer is inserted between the absorber layer (p-type) and the transparent window layer (n-type) to enhance the maximum amount of light transmission. Reasonable calculations are reported for the band gaps of copper-containing materials: LiCuS, BaCu2S2, and Li2CuSb. Previous optical analysis measurements of these films determined that the band gaps were 1.8 and 1.9 eV for BaCu2S2 and LiCuS, respectively. In general, semiconductor compounds have been studied theoretically, but there are major differences between the experimental and theoretically calculated band gaps. A suitable calculation method for semiconductor compounds is described in this study. For the first time, calculations based on the Engel and Vosko method are introduced for these semiconductor compounds. This method yields band gaps that are comparable to the experimental values, which facilitate the development of microscopic analyses of these compounds. Direct band gaps of 1.15 and 1.7 eV were obtained for BaCu2S2 and LiCuS, respectively, whereas the indirect band gap was 0.7 eV for Li2CuSb.

  8. Draft Genome Sequence of Aeromonas dhakensis Strain F2S2-1, Isolated from the Skin Surface of an Indian Oil Sardine (Sardinella longiceps)

    PubMed Central

    Nadiga, Mohan; Vaidyanathan, V. V.

    2016-01-01

    Draft genome sequencing of Aeromonas dhakensis strain F2S2-1, isolated from the skin surface of an Indian oil sardine (Sardinella longiceps), has been carried out. The draft genome was roughly 4.7 Mb in size with 61.7% G+C content. Annotation of the genome yielded 4,337 genes coding for proteins, tRNAs, and rRNAs. Annotation also revealed the presence of 52 genes linked to resistance to antibiotics/toxic compounds. Pathway analysis revealed the presence of novobiocin biosynthetic genes and genes for biosynthesis of a siderophore group on nonsynthetic peptides. PMID:27540048

  9. Draft Genome Sequence of Aeromonas dhakensis Strain F2S2-1, Isolated from the Skin Surface of an Indian Oil Sardine (Sardinella longiceps).

    PubMed

    Nadiga, Mohan; Vaidyanathan, V V; Thayumanavan, Thangavelu

    2016-08-18

    Draft genome sequencing of Aeromonas dhakensis strain F2S2-1, isolated from the skin surface of an Indian oil sardine (Sardinella longiceps), has been carried out. The draft genome was roughly 4.7 Mb in size with 61.7% G+C content. Annotation of the genome yielded 4,337 genes coding for proteins, tRNAs, and rRNAs. Annotation also revealed the presence of 52 genes linked to resistance to antibiotics/toxic compounds. Pathway analysis revealed the presence of novobiocin biosynthetic genes and genes for biosynthesis of a siderophore group on nonsynthetic peptides. Copyright © 2016 Nadiga et al.

  10. The kinetics of catalytic incineration of C2H5SH and (CH3)2S2 over a Pt/Al2O3 catalyst.

    PubMed

    Chu, H; Lee, W T; Chiou, Y Y; Tseng, T K

    2001-05-01

    Catalytic incineration is one of the cost-effective technologies to solve the troublesome VOCs. However, some sulfur containing VOCs, such as ethyl mercaptan and dimethyl disulfide, may deactivate the Pt catalyst that is commonly used in the catalytic incineration process. The catalytic incineration of these compounds over a Pt/Al2O3 catalyst was carried out in a bench scale catalytic incinerator. Three kinetic models, such as power-rate law, Mars and Van Krevelen model, and Langmuir-Hinshelwood model were used to analyze the results. A differential reactor design was used for best fit of kinetic models in this study. The results show that the Langmuir-Hinshelwood model is feasible to describe the catalytic incineration of both C2H5SH and (CH3)2S2. This suggests that the chemical adsorption of O2 molecule is important in the process of catalytic incineration of C2H5SH and (CH3)2S2.

  11. Organic-inorganic hybrid mesoporous polymers fabricated by using (CTA)2S2O8 as self-decomposed soft templates.

    PubMed

    Chen, Tianyou; Du, Binyang; Fan, Zhiqiang

    2012-10-23

    Organic-inorganic hybrid mesoporous polymers were successfully synthesized by using a template-directed free radical polymerization technique in aqueous solution at 0-5 °C with oxidative complexes as self-decomposed soft templates. The oxidative complexes ((CTA)(2)S(2)O(8)), which were formed between anionic oxidant (S(2)O(8)(2-)) and cationic surfactant (cetyltrimethylammonium bromide, CTAB) at 0-5 °C, can be automatically decomposed due to the reduction of S(2)O(8)(2-). No additional treatment was needed to remove the templates. The reactive functional monomer, 3-(trimethoxysilyl)propyl methacrylate (TMSPMA), was used as main monomer. Styrene was used as the comonomer. With simultaneous free radical copolymerization of TMSPMA and styrene, condensation of methoxysilyl groups, and the self-decomposition of (CTA)(2)S(2)O(8), organic-inorganic hybrid mesoporous polymers were successfully obtained. The mesoporous structures and morphologies of the resultant hybrid mesoporous polymers were found to be strongly dependent on the feed amounts of TMSPMA and styrene. In the absence of styrene, the hybrid polymer PTMSPMA exhibited mesh-like bicontinuous structures with mesopores and high surface area (335 m(2)/g). With the incorporation of styrene, mesoporous nanoparticles were obtained. The surface areas of the mesoporous nanoparticles decreased with the increase of styrene contents. The adsorption capabilities of such mesoporous polymers for organic dye (Congo red) and protein (bovine serum albumin) were also studied.

  12. Bonding and magnetic response properties of several toroid structures. Insights of the role of Ni2S2 as a building block from relativistic density functional theory calculations.

    PubMed

    Muñoz-Castro, Alvaro

    2011-10-06

    Relativistic density functional calculations were carried out on several nickel toroid mercaptides of the general formula [Ni(μ-SR)(2)](n), with the aim to characterize and analyze their stability and magnetic response properties, in order to gain more insights into their stabilization and size-dependent behavior. The Ni-ligand interaction has been studied by means projected density of states and energy decomposition analysis, which denotes its stabilizing character. The graphical representation of the response to an external magnetic field is applied for the very first time taking into account the spin-orbit term. This map allows one to clearly characterize the magnetic behavior inside and in the closeness of the toroid structure showing the prescence of paratropic ring currents inside the Ni(n) ring, and by contrast, diatropic currents confined in each Ni(2)S(2) motif denoting an aromatic behavior (in terms of magnetic criteria). The calculated data suggests that the Ni(2)S(2) moiety can be regarded as a stable constructing block, which can afford several toroid structures of different nuclearities in agreement with that reported in the experimental literature. In addition, the effects of the relativistic treatment over the magnetic response properties on these lighter compounds are denoted by comparing nonrelativistic, scalar relativistic, and scalar plus spin-orbit relativistic treatments, showing their acting, although nonpronunced, role.

  13. Site requirements for the reactions of CH 3SH and (CH 3) 2S 2 on ZnO( 1 0 1¯ 0)

    NASA Astrophysics Data System (ADS)

    Halevi, B.; Vohs, John M.

    Temperature programmed desorption (TPD) was used to investigate the adsorption and reaction of CH 3SH and (CH 3) 2S 2 on the nonpolar ( 1 0 1¯ 0) surface of ZnO. Methanethiol was found to dissociate on the ( 1 0 1¯ 0) surface to produce adsorbed methylthiolates. The primary reaction pathways for the methylthiolates were methyl group transfer between adjacent thiolates to produce (CH 3) 2S at 510 K, and transfer of methyl groups to surface lattice oxygen to produce adsorbed methoxides which were oxidized to CH 2O at 525 K and adsorbed formate. Dimethyldisulfide was found to dissociate via cleavage of the S-S bond to form adsorbed methylthiolates. The reaction pathways for thiolates produced in this manner were similar to those produced from CH 3SH except for an additional low-temperature pathway for the production of CH 2O. Comparison of the results obtained in this study to our previous study of the reaction of CH 3SH and (CH 3) 2S 2 on ZnO(0 0 0 1) and published STM studies of ZnO( 1 0 1¯ 0) and ZnO(0 0 0 1) indicates that step edges are the active sites for the reaction of thiols and disulfides on these surfaces.

  14. Solvatochromism, spectral properties and antimicrobial activities of new azo-azomethine dyes with N2S2O2 donor set of atoms

    NASA Astrophysics Data System (ADS)

    Khanmohammadi, Hamid; Pass, Maryam; Rezaeian, Khatereh; Talei, Gholamreza

    2014-08-01

    Six new azo-azomethine dyes, H2Ln (n = 1-6), with N2S2O2 donor set of atoms have been prepared via condensation reaction of 1,10-diaza-4,7-dithiadecane, I, with substituted azo-coupled salicylaldehyde. The dyes were characterized by IR, UV-Vis and 1H NMR spectroscopic methods as well as elemental analysis. The solvatochromic behavior of the dyes was also probed by studying their UV-Vis spectra in four pure organic solvents of different polarities and a meaningful correlation was observed. Furthermore, all prepared dyes were assayed for their antibacterial and antifungal activities by disc diffusion method. The results indicated that all prepared dyes show good inhibition against Staphylococcus epidermidis and Bacillus cereus and did not show any antibacterial activity against Escherichia coli as compared to standard drugs.

  15. A summary of the iodine supplementation study protocol (I2S2): a UK multicentre randomised controlled trial in preterm infants.

    PubMed

    Williams, Fiona; Hume, Robert; Ogston, Simon; Brocklehurst, Peter; Morgan, Kayleigh; Juszczak, Edmund

    2014-01-01

    This paper summarises the study protocol for the randomised controlled trial of iodine supplementation in preterm infants. Iodine is essential for the synthesis of thyroxine, and thyroxine is essential for normal brain development in utero and for the first 2-3 years of life. The recommended iodine intake in parenteral nutrition regimens is 1 μg/kg/day and commercially available parenteral solutions for infants reflect these recommendations. In the absence of other iodine sources, infants are vulnerable to negative iodine balance and insufficiency. As many preterm infants are fed parenterally for prolonged periods with solutions which have been shown to be iodine-deficient, the I2S2 Trial was designed to establish whether iodine supplementation of preterm infants benefits neurodevelopment.

  16. Single Use Letter Report for the Verification and Validation of the RADNUC-2A and ORIGEN2 S.2 Computer Codes

    SciTech Connect

    PACKER, M.J.

    2000-06-20

    This report documents the verification and validation (V&V) activities undertaken to support the use of the RADNUC2-A and ORIGEN2 S.2 computer codes for the specific application of calculating isotopic inventories and decay heat loadings for Spent Nuclear Fuel Project (SNFP) activities as described herein. Two recent applications include the reports HNF-SD-SNF-TI-009, 105-K Basin Material Design Basis Feed Description for Spent Nuclear Fuel Project Facilities, Volume 1, Fuel (Praga, 1998), and HNF-3035, Rev. 0B, MCO Gas Composition for Low Reactive Surface Areas (Packer, 1998). Representative calculations documented in these two reports were repeated using RADNUC2-A, and the results were identical to the documented results. This serves as verification that version 2A of Radnuc was used for the applications noted above; the same version was tested herein, and perfect agreement was shown. Comprehensive V&V is demonstrated for RADNUC2-A in Appendix A.

  17. Analysis of 1s(2s2p {sup 3}P)nl Rydberg states in the K-shell photoionization of the Be atom

    SciTech Connect

    Yoshida, Fumiko; Matsuoka, Leo; Takashima, Ryuta; Hasegawa, Shuichi; Nagata, Tetsuo; Azuma, Yoshiro; Obara, Satoshi; Koike, Fumihiro

    2006-06-15

    We have observed inner-shell photoionization of Be using synchrotron radiation in the energy region of the 1s(2s2p {sup 3}P)nl Rydberg states. We used a time-of-flight method to distinguish singly and doubly charged photoions and obtained the Be{sup +} [ns; n=5-12 ({sup 1}P)3s] and Be{sup 2+} [ns; n=5-8, nd=5,6 ({sup 1}P)3s] ion spectra with high resolution corresponding to an instrumental bandpass of 13 meV. Detailed analysis enabled the autoionization parameters, resonance energy position E{sub 0}, resonance width {gamma}, and Fano parameter q, to be obtained. From the resonance positions of the {sup 3}Pnl series members, the series limit was determined to be 127.97 eV, which is in good agreement with previous experiments.

  18. Fine structure and ionization energy of the 1s2s2p 4P state of the helium negative ion He-.

    PubMed

    Wang, Liming; Li, Chun; Yan, Zong-Chao; Drake, G W F

    2014-12-31

    The fine structure and ionization energy of the 1s2s2p (4)P state of the helium negative ion He(-) are calculated in Hylleraas coordinates, including relativistic and QED corrections up to O(α(4)mc(2)), O((μ/M)α(4)mc(2)), O(α(5)mc(2)), and O((μ/M)α(5)mc(2)). Higher order corrections are estimated for the ionization energy. A comparison is made with other calculations and experiments. We find that the present results for the fine structure splittings agree with experiment very well. However, the calculated ionization energy deviates from the experimental result by about 1 standard deviation. The estimated theoretical uncertainty in the ionization energy is much less than the experimental accuracy.

  19. Strong bonding strength between HA and (NH4)2S2O8-treated carbon/carbon composite by hydrothermal treatment and induction heating.

    PubMed

    Xiong, Xin-bo; Zeng, Xie-rong; Zou, Chun-li; Zhou, Ji-Zhao

    2009-06-01

    Carbon/carbon composite with hydroxyapatite (HA) coating is an attractive material in the dental and orthopedic fields, but the reported bonding strength between them was very poor. In this study, a compact crystalline HA coating on (NH(4))(2)S(2)O(8)-treated C/C substrate about 10 microm in width was obtained by hydrothermal treatment and induction heating. The microstructure, composition and morphologies of the as-prepared coatings were identified by X-ray diffraction, scanning electron microscopy and energy dispersive spectroscopy. A strong shear strength averaging 74.2 MPa between C/C substrate and HA was achieved and adhesion failures were observed more frequently than cohesion failures. The coating adhesion measured using a scratch test was 23 N and the reasons for this are discussed.

  20. Novel opioid peptide derived antagonists containing (2S)-2-methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid [(2S)-Mdcp].

    PubMed

    Ghosh, Animesh; Luo, Jie; Liu, Chen; Weltrowska, Grazyna; Lemieux, Carole; Chung, Nga N; Lu, Yixin; Schiller, Peter W

    2008-09-25

    A synthesis of the novel tyrosine analogue (2 S)-2-methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid [(2 S)-Mdcp] (15) was developed. In (2 S)-Mdcp, the amino and hydroxyl groups of 2',6'-dimethyltyrosine are replaced by a methyl and a carbamoyl group, respectively, and its substitution for Tyr (1) in opioid agonist peptides resulted in compounds showing antagonism at all three opioid receptors. The cyclic peptide (2 S)-Mdcp-c[D-Cys-Gly-Phe(pNO 2)-D-Cys]NH 2 (1) was a potent and selective mu antagonist, whereas (2 S)-Mdcp-c[D-Pen-Gly-Phe(pF)-Pen]-Phe-OH (3) showed subnanomolar delta antagonist activity and extraordinary delta selectivity.

  1. Degradations of acetaminophen via a K2S2O8-doped TiO2 photocatalyst under visible light irradiation.

    PubMed

    Lin, Justin Chun-Te; de Luna, Mark Daniel G; Aranzamendez, Graziel L; Lu, Ming-Chun

    2016-07-01

    Acetaminophen (ACT) is a mild analgesic commonly used for relief of fever, headache and some minor pains. It had been detected in both fixed factory-discharged wastewaters, and diverse sources, e.g. surface waters during festival events. Degradation of such trace emergent pollutants by titanium dioxide (TiO2) photocatalysts is a common approach; however, the band gap that can be utilized in the UV range is limited. In order to extend downward the energy required to excite the photocatalytic material, doping with potassium peroxodisulfate (K2S2O8) by a sol-gel method was done in this work. The visible-light active photocatalyst was tested on the degradation of ACT under four parameters including: initial ACT concentration, catalyst dose, initial pH, and system temperature. Optimal conditions, which achieved 100% ACT degradation, were obtained by using 0.1 mM ACT initial concentration, catalyst dose of 1 g L(-1), initial pH of 9.0 and system temperature of 22 °C at the end of 9-h irradiation. Meanwhile, three types of degradation kinetic models (i.e. zero, pseudo first and second order) were tested. The feasible model followed a pseudo-first order model with the computed constant (kapp) of 7.29 × 10(-3) min(-1). The present study provides a better photocatalytic degradation route by K2S2O8-modified TiO2 in comparison with pristine TiO2, in wastewater treatment dealing with ACT and other persistent organic pollutants.

  2. High-spin cobalt(II) ions in square planar coordination: structures and magnetism of the oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and their solid solution.

    PubMed

    Smura, Catherine F; Parker, Dinah R; Zbiri, Mohamed; Johnson, Mark R; Gál, Zoltán A; Clarke, Simon J

    2011-03-02

    The antiferromagnetic structures of the layered oxychalcogenides (Sr(1-x)Ba(x))(2)CoO(2)Cu(2)S(2) (0 ≤ x ≤ 1) have been determined by powder neutron diffraction. In these compounds Co(2+) is coordinated by four oxide ions in a square plane and two sulfide ions at the apexes of an extremely tetragonally elongated octahedron; the polyhedra share oxide vertexes. The magnetic reflections present in the diffraction patterns can in all cases be indexed using a √2a × √2a × c expansion of the nuclear cell, and nearest-neighbor Co(2+) moments couple antiferromagnetically within the CoO(2) planes. The ordered magnetic moment of Co(2+) in Sr(2)CoO(2)Cu(2)S(2) (x = 0) is 3.8(1) μ(B) at 5 K, consistent with high-spin Co(2+) ions carrying three unpaired electrons and with an additional significant unquenched orbital component. Exposure of this compound to moist air is shown to result in copper deficiency and a decrease in the size of the ordered moment to about 2.5 μ(B); there is a strong correlation between the size of the long-range ordered moment and the occupancy of the Cu site. Both the tetragonal elongation of the CoO(4)S(2) polyhedron and the ordered moment in (Sr(1-x)Ba(x))(2)CoO(2)Cu(2)S(2) increase with increasing Ba content, and in Ba(2)CoO(2)Cu(2)S(2), which has Co(2+) in an environment that is close to purely square planar, the ordered moment of 4.5(1) μ(B) at 5 K is over 0.7 μ(B) larger than that in Sr(2)CoO(2)Cu(2)S(2), so the unquenched orbital component in this case is even larger than that observed in octahedral Co(2+) systems such as CoO. The experimental observations of antiferromagnetic ground states and the changes in properties resulting from replacement of Sr by Ba are supported by ab initio calculations on Sr(2)CoO(2)Cu(2)S(2) and Ba(2)CoO(2)Cu(2)S(2). The large orbital moments in these systems apparently result from spin-orbit mixing of the unequally populated d(xz), d(yz), and d(z(2)) orbitals, which are reckoned to be almost degenerate

  3. Density functional theory of the CuA -like Cu2 S2 diamond core in Cu 2II(NGuaS)2 Cl2.

    PubMed

    Witte, M; Gerstmann, U; Neuba, A; Henkel, G; Schmidt, W G

    2016-04-30

    Density functional theory (DFT) calculations with localized as well as plane-wave basis functions are performed for the recently reported dicopper thiolate species Cu2 (NGuaS)2 Cl2 [NGuaS = 2-(1,1,3,3-tetramethylguanidino) benzenethiolate, C11 H16 N3 S] and its bromo derivative [Neuba et al., Angew. Chem. Int. Ed. 2012, 51, 1714.]. For both hybrid and semilocal functionals, the neutral complexes are found to have broken symmetry (BS) character, with electron paramagnetic resonance silent, antiferromagnetically coupled [Cu(2+) …Cu(2+) ] site in which the coupling is driven by super exchange interaction within the Cu2 S2 diamond core. The accurate theoretical description of the geometric structure, however, provides a major challenge for DFT: (i) the multideterminant character of the ground state wave function has to be covered by the BS approach. It requires (ii) metageneralized gradient approximations, that is hybrid functionals with an explicit dependence on the kinetic energy of the individual orbitals: In combination with a dispersion correction, the metafunctional TPSSh results in a CuCu distance close to the experimentally observed value of 2.7 Å. For the negative charge state of the complex, a mixed-valent [Cu(1.5+) …Cu(1.5+) ] electronic structure with a smaller CuCu distance of 2.6 Å is predicted, similar to the value of the CuA site of cytochrome c oxidase.

  4. UV radiation effects on a DNA repair enzyme: conversion of a [4Fe-4S](2+) cluster into a [2Fe-2S] (2+).

    PubMed

    Folgosa, Filipe; Camacho, Inês; Penas, Daniela; Guilherme, Márcia; Fróis, João; Ribeiro, Paulo A; Tavares, Pedro; Pereira, Alice S

    2015-03-01

    Organisms are often exposed to different types of ionizing radiation that, directly or not, will promote damage to DNA molecules and/or other cellular structures. Because of that, organisms developed a wide range of response mechanisms to deal with these threats. Endonuclease III is one of the enzymes responsible to detect and repair oxidized pyrimidine base lesions. However, the effect of radiation on the structure/function of these enzymes is not clear yet. Here, we demonstrate the effect of UV-C radiation on E. coli endonuclease III through several techniques, namely UV-visible, fluorescence and Mössbauer spectroscopies, as well as SDS-PAGE and electrophoretic mobility shift assay. We demonstrate that irradiation with a UV-C source has dramatic consequences on the absorption, fluorescence, structure and functionality of the protein, affecting its [4Fe-4S] cluster and its DNA-binding ability, which results in its inactivation. An UV-C radiation-induced conversion of the [4Fe-4S](2+) into a [2Fe-2S](2+) was observed for the first time and proven by Mössbauer and UV-visible analysis. This work also shows that the DNA-binding capability of endonuclease III is highly dependent of the nuclearity of the endogenous iron-sulfur cluster. Thus, from our point of view, in a cellular context, these results strengthen the argument that cellular sensitivity to radiation can also be due to loss of radiation-induced damage repair ability.

  5. The complex scaled multiconfigurational time-dependent Hartree-Fock method for studying resonant states: Application to the 2 s2 He Feshbach resonance

    NASA Astrophysics Data System (ADS)

    Liang, Liyuan; Yeager, Danny L.

    2014-03-01

    The complex scaled multiconfigurational time-dependent Hartree-Fock method (CMCTDHF also called the complex scaled multiconfigurational linear response method) is used to study the doubly excited He 2s2 Feshbach resonance energy and lifetime. Various even-tempered Gaussian basis set/complete active space (CAS) combinations are examined. The results are compared with the complex scaled full configuration interaction (FCI) [P. R. Zdanska and N. Moiseyev, J. Chem. Phys. 123, 194105 (2005)], complex-scaled equation-of-motion coupled-cluster method with single and double substitutions [K. B. Bravaya, D. Z. Zuev, E. Epifanovsky, and A. I. Krylov, J. Chem. Phys. 138, 124106 (2013)], and exact numerical calculations [Y. K. Ho, Phys. Rev. A 23, 2137 (1981); E. Lindroth, Phys. Rev. A 49, 4473 (1994); A. Bürgers, D. Wintgren, and J.-M. Ross, J. Phys. B 28, 3163 (1995); and N. Elander, S. Levin, and E. Yarevsky, Phys. Rev. A 67, 062508 (2003)]. It is shown that CMCTDHF is able to provide highly accurate resonance parameters with a fairly small size of basis set and CAS, where the computational resources required are much less than the complex scaled FCI method and exact numerical results.

  6. (2S)-2-(3-(1-Carboxy-5-(4-211At-Astatobenzamido)Pentyl)Ureido)-Pentanedioic Acid for PSMA-Targeted α-Particle Radiopharmaceutical Therapy.

    PubMed

    Kiess, Ana P; Minn, Il; Vaidyanathan, Ganesan; Hobbs, Robert F; Josefsson, Anders; Shen, Colette; Brummet, Mary; Chen, Ying; Choi, Jaeyeon; Koumarianou, Eftychia; Baidoo, Kwamena; Brechbiel, Martin W; Mease, Ronnie C; Sgouros, George; Zalutsky, Michael R; Pomper, Martin G

    2016-10-01

    Alpha-particle emitters have a high linear energy transfer and short range, offering the potential for treating micrometastases while sparing normal tissues. We developed a urea-based, (211)At-labeled small molecule targeting prostate-specific membrane antigen (PSMA) for the treatment of micrometastases due to prostate cancer (PC). PSMA-targeted (2S)-2-(3-(1-carboxy-5-(4-(211)At-astatobenzamido)pentyl)ureido)-pentanedioic acid ((211)At- 6: ) was synthesized. Cellular uptake and clonogenic survival were tested in PSMA-positive (PSMA+) PC3 PIP and PSMA-negative (PSMA-) PC3 flu human PC cells after (211)At- 6: treatment. The antitumor efficacy of (211)At- 6: was evaluated in mice bearing PSMA+ PC3 PIP and PSMA- PC3 flu flank xenografts at a 740-kBq dose and in mice bearing PSMA+, luciferase-expressing PC3-ML micrometastases. Biodistribution was determined in mice bearing PSMA+ PC3 PIP and PSMA- PC3 flu flank xenografts. Suborgan distribution was evaluated using α-camera images, and microscale dosimetry was modeled. Long-term toxicity was assessed in mice for 12 mo. (211)At- 6: treatment resulted in PSMA-specific cellular uptake and decreased clonogenic survival in PSMA+ PC3 PIP cells and caused significant tumor growth delay in PSMA+ PC3 PIP flank tumors. Significantly improved survival was achieved in the newly developed PSMA+ micrometastatic PC model. Biodistribution showed uptake of (211)At- 6: in PSMA+ PC3 PIP tumors and in kidneys. Microscale kidney dosimetry based on α-camera images and a nephron model revealed hot spots in the proximal renal tubules. Long-term toxicity studies confirmed that the dose-limiting toxicity was late radiation nephropathy. PSMA-targeted (211)At- 6: α-particle radiotherapy yielded significantly improved survival in mice bearing PC micrometastases after systemic administration. (211)At- 6: also showed uptake in renal proximal tubules resulting in late nephrotoxicity, highlighting the importance of long-term toxicity studies and

  7. Browsing gene banks for Fe2S2 ferredoxins and structural modeling of 88 plant-type sequences: an analysis of fold and function.

    PubMed

    Bertini, Ivano; Luchinat, Claudio; Provenzani, Alessandro; Rosato, Antonio; Vasos, Paul R

    2002-01-01

    One-hundred-and-seventy-nine sequences of Fe2S2 ferredoxins and ferredoxin precursors were identified in and retrieved from currently available protein and cDNA databases. On the basis of their cluster-binding patterns, these sequences were divided into three groups: those containing the CX4CX2CXnC pattern (plant-type ferredoxins), those with the CX5CX2CXnC pattern (adrenodoxins), and those with a different pattern. These three groups contain, respectively, 139, 36, and 4 sequences. After excluding ferredoxin precursors in the first group, two subgroups were identified, again based on their cluster-binding patterns: 88 sequences had the CX4CX2CX29C pattern, and 29 had the CX4CX2CXmC (m not equal 29) pattern. The structures of the 88 ferredoxins with the CX4CX2CX29C pattern were modeled based on the available experimental structures of nine proteins within this same group. The modeling procedure was tested by building structural models for the ferredoxins with known structures. The models resulted, on average, in being within 1 A of the backbone root-mean-square deviation from the corresponding experimental structures. In addition, these structural models were shown to be of high quality by using assessment procedures based on energetic and stereochemical parameters. Thus, these models formed a reliable structural database for this group of ferredoxins, which is meaningful within the framework of current structural genomics efforts. From the analysis of the structural database generated it was observed that the secondary structural elements and the overall three-dimensional structures are maintained throughout the superfamily. In particular, the residues in the hydrophobic core of the protein were found to be either absolutely conserved or conservatively substituted. In addition, certain solvent-accessible charged groups, as well as hydrophobic groups, were found to be conserved to the same degree as the core residues. The patterns of conservation of exposed

  8. (2S)-2-(3-(1-Carboxy-5-(4-211At-Astatobenzamido)Pentyl)Ureido)-Pentanedioic Acid for PSMA-Targeted α-Particle Radiopharmaceutical Therapy

    PubMed Central

    Kiess, Ana P.; Minn, Il; Vaidyanathan, Ganesan; Hobbs, Robert F.; Josefsson, Anders; Shen, Colette; Brummet, Mary; Chen, Ying; Choi, Jaeyeon; Koumarianou, Eftychia; Baidoo, Kwamena; Brechbiel, Martin W.; Mease, Ronnie C.; Sgouros, George; Zalutsky, Michael R.

    2016-01-01

    Alpha-particle emitters have a high linear energy transfer and short range, offering the potential for treating micrometastases while sparing normal tissues. We developed a urea-based, 211At-labeled small molecule targeting prostate-specific membrane antigen (PSMA) for the treatment of micrometastases due to prostate cancer (PC). Methods: PSMA-targeted (2S)-2-(3-(1-carboxy-5-(4-211At-astatobenzamido)pentyl)ureido)-pentanedioic acid (211At-6) was synthesized. Cellular uptake and clonogenic survival were tested in PSMA-positive (PSMA+) PC3 PIP and PSMA-negative (PSMA−) PC3 flu human PC cells after 211At-6 treatment. The antitumor efficacy of 211At-6 was evaluated in mice bearing PSMA+ PC3 PIP and PSMA– PC3 flu flank xenografts at a 740-kBq dose and in mice bearing PSMA+, luciferase-expressing PC3-ML micrometastases. Biodistribution was determined in mice bearing PSMA+ PC3 PIP and PSMA– PC3 flu flank xenografts. Suborgan distribution was evaluated using α-camera images, and microscale dosimetry was modeled. Long-term toxicity was assessed in mice for 12 mo. Results: 211At-6 treatment resulted in PSMA-specific cellular uptake and decreased clonogenic survival in PSMA+ PC3 PIP cells and caused significant tumor growth delay in PSMA+ PC3 PIP flank tumors. Significantly improved survival was achieved in the newly developed PSMA+ micrometastatic PC model. Biodistribution showed uptake of 211At-6 in PSMA+ PC3 PIP tumors and in kidneys. Microscale kidney dosimetry based on α-camera images and a nephron model revealed hot spots in the proximal renal tubules. Long-term toxicity studies confirmed that the dose-limiting toxicity was late radiation nephropathy. Conclusion: PSMA-targeted 211At-6 α-particle radiotherapy yielded significantly improved survival in mice bearing PC micrometastases after systemic administration. 211At-6 also showed uptake in renal proximal tubules resulting in late nephrotoxicity, highlighting the importance of long-term toxicity studies and

  9. Bisamidate and Mixed Amine/Amidate NiN2S2 Complexes as Models for Nickel-Containing Acetyl Coenzyme A Synthase and Superoxide Dismutase: An Experimental and Computational Study

    PubMed Central

    Mathrubootham, Vaidyanathan; Thomas, Jason; Staples, Richard; McCraken, John; Shearer, Jason; Hegg, Eric L.

    2010-01-01

    The distal nickel site of acetyl-CoA synthase (Nid-ACS) and reduced nickel superoxide dismutase (Ni-SOD) display similar square-planar NiIIN2S2 coordination environments. One difference between these two sites, however, is that the nickel ion in Ni-SOD contains a mixed amine/amidate coordination motif while the Nid site in Ni-ACS contains a bisamidate coordination motif. To provide insight into the consequences of the different coordination environments on the properties of the Ni ions, we systematically examined two square-planar NiIIN2S2 complexes, one with bisthiolate-bisamidate ligation (Et4N)2(Ni(L1))·2H2O (2) [H4L1 = N-(2-mercaptoacetyl)-N’-(2-mercaptoethyl)glycinamide] and another with bisthiolate-amine/amidate ligation K(Ni(HL2)) (3) [H4L2 = N-(2“-mercaptoethyl)-2-((2’-mercaptoethyl)amino)acetamide]. Although these two complexes differ only by a single amine vs. amidate ligand, the chemical properties of them are quite different. The stronger in-plane ligand field in the bisamidate complex (NiII(L1))2− (2) results in an increase in the energies of the d → d transitions and a considerably more negative oxidation potential. Furthermore, while the bisamidate complex (NiII(L1))2− (2) readily forms a trinuclear species (Et4N)2({Ni(L1)}2Ni)·H2O (1) and reacts rapidly with O2, presumably via sulfoxidation, the mixed amine/amidate complex (NiII(HL2))− (3) remains monomeric and is stable for days in air. Interestingly, the NiIII species of the bisamidate complex formed by chemical oxidation with I2 can be detected by electron paramagnetic resonance (EPR) spectroscopy while the mixed amine/amidate complex immediately decomposes upon oxidation. In order to explain these experimentally observed properties, we performed S K-edge X-ray absorption spectroscopy and low-temperature (77 K) electronic absorption measurements as well as both hybrid density functional theory (hybrid-DFT) and spectroscopy oriented configuration interaction (SORCI) calculations

  10. On the character of the optical transitions in closed-shell transition metal oxides doped with Bi(3).

    PubMed

    Amer, M; Boutinaud, P

    2017-01-18

    A criterion is introduced to achieve the assignment of the optical features observed in the excitation spectra of Bi(3+) ions incorporated in closed-shell transition metal oxides. The model is based on the calculation of the energy associated with the lowest (1)S0 → (3)P1 intra-ionic transition of Bi(3+) (A-like transition), the metal-to-metal charge transfer (D-like transition) and the Stokes shift of the corresponding emission.

  11. Crystal structure, thermochromic and magnetic properties of organic-inorganic hybrid compound: (C7H7N2S)2CuCl4

    NASA Astrophysics Data System (ADS)

    Vishwakarma, Ashok K.; Kumari, Reema; Ghalsasi, Prasanna S.; Arulsamy, Navamoney

    2017-08-01

    The synthesis, thermal analysis, crystal structure and magnetic properties of (2-aminobenzothiazolium)2CuCl4, organic-inorganic hybrid compound, have been described. The compound crystallizes in the monoclinic space group P21/c with two formula units in a unit cell of dimensions a = 6.9522(4) Å, b = 9.6979(4) Å, c = 13.9633(6) Å, β = 97.849(3)° and volume 930.83(8) Å3 at 150(2) K. The structure consists of isolated nearly square planer [CuC14]2- units, with somewhat longer than normal Cusbnd Cl bond lengths [Cusbnd Cl (average) = 2.2711 Å]. The magnetic measurements of (2-aminobenzothiazolium)2CuCl4 using SQUID magnetometer show paramagnetic nature of the compound. Thermal measurements (TG-DTA and DSC) on this compound showed reversible phase transition at 83 °C. This transition is accompanied by the reversible change in colour of the prismatic crystal from green to dark brown, thermochromic behaviour. Temperature dependent EPR measurements on powdered sample ascertain change in coordination sphere around Cu(II) with shift in g|| = 2.150 and g⊥ = 2.071 at room temperature, typical of square planar, to g|| = 2.201 and g⊥ = 2.182 at 170 °C, typical of distorted tetrahedral geometry.

  12. Observation of transitions in lithiumlike germanium

    NASA Technical Reports Server (NTRS)

    Behring, W. E.; Seely, J. F.; Brown, C. M.; Feldman, U.; Knauer, J. P.

    1989-01-01

    Transitions of the type n = 2-2, n = 2-3 and n = 3-4 in Li-like Ge(29+) have been observed in the spectrum from a laser-produced plasma. The energy levels and ionization energy of Ge(29+) were derived from the observed wavelengths. The wavelength of the 2s 2S1/2-2p 2P3/2 transition is sufficiently accurate to determine the quantum-electrodynamic contribution to the transition energy.

  13. Removal of some textile dyes from aqueous solutions by poly( N-vinyl-2-pyrrolidone) and poly( N-vinyl-2-pyrrolidone)/K 2S 2O 8 hydrogels

    NASA Astrophysics Data System (ADS)

    Can, Hatice Kaplan; Kirci, Betül; Kavlak, Serap; Güner, Ali

    2003-12-01

    Poly( N-vinyl-2-pyrrolidone)/water and poly( N-vinyl-2-pyrrolidone)/K 2S 2O 8/water systems are hydrogels prepared by irradiation with γ-rays at ambient temperature. Both hydrogel systems were employed for diffusion and swelling experiments in various textile dyes aqueous solutions (textile dyes such as Cibacron Blue (CB) F3GA, Methyl Orange (MO), Congo Red (CR)). For these hydrogel systems, swelling studies indicated that swelling percentages increased in the following order: MO>CB F3GA>CR at fixed dose 96 kGy. Because of this reason MO dye solution has been chosen and all swelling properties are investigated for 26, 64, 96 and 124 kGy. The swelling capabilities of PVP and PVP/K 2S 2O 8 hydrogels in MO dye solution vary in the range of 400-1500%. The diffusion of dye solutions PVP and PVP/K 2S 2O 8 hydrogels was assumed to be Fickian character. The swelling behavior of PVP and PVP/K 2S 2O 8 hydrogels exhibits second-order kinetic in all dye solutions. Diffusion coefficient, initial swelling rate, swelling rate constant, maximum swelling and equilibrium water/dye content were found for all gel systems in dye solutions.

  14. Synthesis and reactivity of NHC-supported Ni2(μ(2)-η(2),η(2)-S2)-bridging disulfide and Ni2(μ-S)2-bridging sulfide complexes.

    PubMed

    Olechnowicz, Frank; Hillhouse, Gregory L; Jordan, Richard F

    2015-03-16

    The (IPr)Ni scaffold stabilizes low-coordinate, mononuclear and dinuclear complexes with a diverse range of sulfur ligands, including μ(2)-η(2),η(2)-S2, η(2)-S2, μ-S, and μ-SH motifs. The reaction of {(IPr)Ni}2(μ-Cl)2 (1, IPr = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene) with S8 yields the bridging disulfide species {(IPr)ClNi}2(μ(2)-η(2),η(2)-S2) (2). Complex 2 reacts with 2 equiv of AdNC (Ad = adamantyl) to yield a 1:1 mixture of the terminal disulfide compound (IPr)(AdNC)Ni(η(2)-S2) (3a) and trans-(IPr)(AdNC)NiCl2 (4a). 2 also reacts with KC8 to produce the Ni-Ni-bonded bridging sulfide complex {(IPr)Ni}2(μ-S)2 (6). Complex 6 reacts with H2 to yield the bridging hydrosulfide compound {(IPr)Ni}2(μ-SH)2 (7), which retains a Ni-Ni bond. 7 is converted back to 6 by hydrogen atom abstraction by 2,4,6-(t)Bu3-phenoxy radical. The 2,6-diisopropylphenyl groups of the IPr ligand provide lateral steric protection of the (IPr)Ni unit but allow for the formation of Ni-Ni-bonded dinuclear species and electronically preferred rather than sterically preferred structures.

  15. Blue copper protein analogue: synthesis and characterization of copper complexes of the N2S2 macrocycle 1,8-dithia-4,11-diazacyclotetradecane.

    PubMed

    Walker, Tia L; Mula, Sam; Malasi, Wilhelm; Engle, James T; Ziegler, Christopher J; van der Est, Art; Modarelli, Jody; Taschner, Michael J

    2015-12-14

    To improve understanding of copper at the active site of Type 1 copper proteins, Cu(I) and Cu(II) complexes of 1,8-dithia-4,11-diazacyclotetradecane, shown in , have been successfully isolated and structurally characterized by X-ray crystallography. In these compounds, both Cu(I) and Cu(II) are centered in the plane of the macrocycle containing two sulphur and two nitrogen heteroatoms comprising the distorted tetrahedral/square planar coordination geometry. The UV/VIS spectra, electrochemistry and EPR properties have been obtained for the Cu(II) complex 2. Three absorption bands at 295 nm, 354 nm, and 545 nm are observed in aqueous solution at a pH of 5. These bands have been assigned to the N → Cu(II) and S → Cu(II) charge transfer bands and the d-d transitions respectively. The Cu(I/II) redox midpoint potential of complex 2 in CH3CN is +403 mV versus NHE.

  16. Study on the ferromagnetic state in iron mixed-valence complexes, A[FeIIFeIII(dto)3] (A = (n-CnH2n + 1)4N; dto = C2S2O2) by means of Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Ono, Yuki; Okazawa, Atsushi; Enomoto, Masaya; Kojima, Norimichi

    2012-03-01

    We have investigated the ferromagnetic states for (n-CnH2n + 1)4N[FeIIFeIII(dto)3] (n = 3-6; dto = C2O2S2) by means of 57Fe Mössbauer spectroscopy. The major component of the spin configuration in the ferromagnetic states for n = 3 and 4 is the low-temperature phase (LTP) with the FeIII (S = 5/2) and FeII (S = 0) states. The high-temperature phase (HTP) of n = 4 remains by more than 20%, which is consistent with two ferromagnetic transitions (TC = 7 & 13 K). Moreover, it was revealed that the Mössbauer spectra in the ferromagnetic states for n = 5 and 6 correspond to the HTP consisting of the FeII (S = 2) and FeIII (S = 1/2) states.

  17. Raman spectroscopic study of tungsten(VI) oxosulfato complexes in WO3-K2S2O7-K2SO4 molten mixtures: stoichiometry, vibrational properties, and molecular structure.

    PubMed

    Paulsen, Andreas L; Kalampounias, Angelos G; Berg, Rolf W; Boghosian, Soghomon

    2011-05-05

    The dissolution reaction of WO3 in pure molten K2S2O7 and in molten K2S2O7-K2SO4 mixtures is studied under static equilibrium conditions in the XWO3(0) = 0-0.33 mol fraction range at temperatures up to 860 °C. High temperature Raman spectroscopy shows that the dissolution leads to formation of W(VI) oxosulfato complexes, and the spectral features are adequate for inferring the structural and vibrational properties of the complexes formed. The band characteristics observed in the W=O stretching region (band wavenumbers, intensities, and polarization characteristics) are consistent with a dioxo W(=O)2 configuration as a core unit within the oxosulfato complexes formed. A quantitative exploitation of the relative Raman intensities in the binary WO3-K2S2O7 system allows the determination of the stoichiometric coefficient, n, of the complex formation reaction WO3 + nS2O7(2-) --> C(2n-). It is found that n = 1; therefore, the reaction WO3 + S2O7(2-) > WO2(SO4)2(2-) with six-fold W coordination is proposed as fully consistent with the observed Raman features. The effects of the incremental dissolution and presence of K2SO4 in WO3-K2S2O7 melts point to a WO3 · K2S2O7 · K2SO4 stoichiometry and a corresponding complex formation reaction in the ternary molten WO3-K2S2O7-K2SO4 system according to WO3 + S2O7(2-) + SO4(2-) --> WO2(SO4)3(4-). The coordination sphere of W in WO2(SO4)2(2-) (binary system) is completed with two oxide ligands and two chelating sulfate groups. A dimeric [{WO2(SO4)2}2(μ-SO4)2](8-) configuration is proposed for the W oxosulfato complex in the ternary system, generated from inversion symmetry of aWO2(SO4)3(4-) moiety resulting in two bridging sulfates. The most characteristic Raman bands for the W(VI) oxosulfato complexes pertain to W(=O)2 stretching modes (i) at 972 (polarized) and 937 (depolarized) cm(-1) for the ν(s) and ν(as) W(=O)2 modes of WO2(SO4)2(2-), and (ii) at 933 (polarized) and 909 (depolarized) cm(-1) for the respective modes of [{WO

  18. Laser gain on 3p-3d and 3s-3p transitions and X-ray line ratios for the nitrogen isoelectronic sequence

    NASA Technical Reports Server (NTRS)

    Feldman, U.; Seely, J. F.; Bhatia, A. K.

    1989-01-01

    Results are presented on calculations of the 72 levels belonging to the 2s(2)2p(3), 2s2p(4), 2p(5), 2s(2)2p(2)3s, 2s(2)2p(2)3p, and 2s(2)2p(2)3d configurations of the N I isoelectronic sequence for the ions Ar XII, Ti XVI, Fe XX, Zn XXIV, and Kr XXX, for electron densities up to 10 to the 24th/cu cm. It was found that large population inversions and gain occur between levels in the 2s(2)2p(2)3p configuration and levels in the 2s(2)2p(2)3d configuration that cannot decay to the ground configuration by an electric dipole transition. For increasing electron densities, the intensities of the X-ray transitions from the 2s(2)2p(2)3p configuration to the ground configuration decrease relative to the transitions from the 2s(2)2p(2)3s and 2s(2)2p(2)3d configurations to the ground configuration. The density dependence of these X-ray line ratios is presented.

  19. Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (M(p+) = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+).

    PubMed

    Gourlaouen, Christophe; Piquemal, Jean-Philip; Saue, Trond; Parisel, Olivier

    2006-01-30

    Hartree-Fock and DFT (B3LYP) nonrelativistic (scalar relativistic pseudopotentials for the metallic cation) and relativistic (molecular four-component approach coupled to an all-electron basis set) calculations are performed on a series of six nd10 (n+1)s0 [M(H2O)]p+ complexes to investigate their geometry, either planar C2v or nonplanar C(s). These complexes are, formally, entities originating from the complexation of a water molecule to a metallic cation: in the present study, no internal reorganization has been found, which ensures that the complexes can be regarded as a water molecule interacting with a metallic cation. For [Au(H2O)]+ and [Hg(H2O)]2+, it is observed that both electronic correlation and relativistic effects are required to recover the C(s) structures predicted by the four-component relativistic all-electron DFT calculations. However, including the zero-point energy corrections makes these shallow C(s) minima vanish and the systems become floppy. In all other systems, namely [Cu(H2O)]+, [Zn(H2O)]2+, [Ag(H2O)]+, and [Cd(H2O)]2+, all calculations predict a C2v geometry arising from especially flat potential energy surfaces related to the out-of-plane wagging vibration mode. In all cases, our computations point to the quasi-perfect transferability of the atomic pseudopotentials considered toward the molecular species investigated. A rationalization of the shape of the wagging potential energy surfaces (i.e., single well vs. double well) is proposed based on the Constrained Space Orbital Variation decompositions of the complexation energies. Any way of stabilizing the lowest unoccupied orbital of the metallic cation is expected to favor charge-transfer (from the highest occupied orbital(s) of the water ligand), covalence, and, consequently, C(s) structures. The CSOV complexation energy decompositions unambiguously reveal that such stabilizations are achieved by means of relativistic effects for [Au(H2O)]+, and, to a lesser extent, for [Hg(H2O)]2

  20. Ocular Hypotensive Response in Nonhuman Primates of (8R)-1-[(2S)-2-Aminopropyl]-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol a Selective 5-HT2 Receptor Agonist.

    PubMed

    May, Jesse A; Sharif, Najam A; McLaughlin, Marsha A; Chen, Hwang-Hsing; Severns, Bryon S; Kelly, Curtis R; Holt, William F; Young, Richard; Glennon, Richard A; Hellberg, Mark R; Dean, Thomas R

    2015-11-25

    Recently, it has been reported that 5-HT2 receptor agonists effectively reduce intraocular pressure (IOP) in a nonhuman primate model of glaucoma. Although 1-[(2S)-2-aminopropyl]indazol-6-ol (AL-34662) was shown to have good efficacy in this nonhuman primate model of ocular hypertension as well as a desirable physicochemical and permeability profile, subsequently identified cardiovascular side effects in multiple species precluded further clinical evaluation of this compound. Herein, we report selected structural modifications that resulted in the identification of (8R)-1-[(2S)-2-aminopropyl]-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol (13), which displayed an acceptable profile to support advancement for further preclinical evaluation as a candidate for proof-of-concept studies in humans.

  1. [Preparation of Cu/ZrO2/S2O8(2-)/gamma-Al2O3 solid acid catalyst and its catalytic activity to selective reduction of NO].

    PubMed

    Guo, Xi-kun; Wang, Xiao-ming

    2008-06-01

    Cu/ZrO2/S2O8(2-)/gamma-Al2O3 solid acid catalyst was prepared by loading of (NH4)2S2O8, ZrOCl2, and Cu(NO3)2 onto gamma-Al2O3 step by step, which was obtained from calcining of pseudoboehmite. The catalytic property of Cu/ZrO2/S2O8(2-)/gamma-Al2O3 on the selective reduction of NO by C3H6 in excess oxygen was investigated. The relationship between the structure and the catalytic property of Cu/ZrO2/S2O8(2-)/gamma-Al2O3 catalyst was also explored by means of SEM, XRD, Py-IR and TPR. The experimental results of catalytic activity of the title catalyst indicated that the maximum conversion rate of NO could reach 82.9% in the absence of water and was up to 80.2% even in the presence of 10% water vapor. The results of the structural characterization toward the catalyst showed that S2O8(2-) and ZrO2 could restrain the sinteration of gamma-Al2O3 particles and the formation of CuAl2O4 spinelle, and also facilitate the formation of new acidic sites (Brönsted acid) and the enhance of the acidity on the surface of the catalyst. In addition, ZrO2 could increase the reducibility of Cu on the catalyst. Consequently, the catalytic activity and hydrothermal stability of the catalyst were improved effectively.

  2. Phase Transition in the SRG Flow of Nuclear Interactions

    NASA Astrophysics Data System (ADS)

    Timóteo, V. S.; Ruiz Arriola, E.; Szpigel, S.

    2017-03-01

    We use a chiral interaction at N3LO in the {}^1S_0 channel of the nucleon-nucleon interaction in order to investigate the on-shell transition along the similarity renormalization group flow towards the infrared limit. We find a crossover at a scale that depends on the number of grid points used to discretise the momentum space.

  3. Progress of Multi Functional Properties of Organic-Inorganic Hybrid System, A[FeIIFeIIIX3] (A = (n-CnH2n+1)4N, Spiropyran; X = C2O2S2, C2OS3, C2O3S)

    PubMed Central

    Kojima, Norimichi; Enomoto, Masaya; Kida, Noriyuki; Kagesawa, Koichi

    2010-01-01

    In the case of mixed-valence systems whose spin states are situated in the spin crossover region, new types of conjugated phenomena coupled with spin and charge are expected. From this viewpoint, we have investigated the multifunctional properties coupled with spin, charge and photon for the organic-inorganic hybrid system, A[FeIIFeIIIX3](A = (n-CnH2n+1)4N, spiropyran; X = dto(C2O2S2), tto(C2OS3), mto(C2O3S)). A[FeIIFeIII(dto)3] and A[FeIIFeIII(tto)3] undergo the ferromagnetic phase transitions, while A[FeIIFeIII(mto)3] undergoes a ferrimagnetic transition. In (n-CnH2n+1)4N [FeIIFeIII(dto)3](n = 3,4), a new type of phase transition called charge transfer phase transition (CTPT) takes place around 120 K, where the thermally induced charge transfer between FeII and FeIII occurs reversibly. At the CTPT, the iron valence state dynamically fluctuated with a frequency of about 0.1 MHz, which was confirmed by means of muon spin relaxation. The charge transfer phase transition and the ferromagnetic transition for (n-CnH2n+1)4N[FeIIFeIII(dto)3] remarkably depend on the size of intercalated cation. In the case of (SP)[FeIIFeIII(dto)3](SP = spiropyran), the photoinduced isomerization of SP under UV irradiation induces the charge transfer phase transition in the [FeIIFeIII(dto)3] layer and the remarkable change of the ferromagnetic transition temperature. In the case of (n-CnH2n+1)4N[FeIIFeIII(mto)3](mto = C2O3S), a rapid spin equilibrium between the high-spin state (S = 5/2) and the low-spin state (S = 1/2) at the FeIIIO3S3 site takes place in a wide temperature range, which induces the valence fluctuation of the FeS3O3 and FeO6 sites through the ferromagnetic coupling between the low spin state (S = 1/2) of the FeIIIS3O3 site and the high spin state (S = 2) of the FeIIO6 site.

  4. Stoichiometry, vibrational modes, and structure of niobium(V) oxosulfato complexes in the molten Nb(2)O(5)-K(2)S(2)O(7)-K(2)SO(4) system studied by Raman spectroscopy.

    PubMed

    Paulsen, Andreas L; Borup, Flemming; Berg, Rolf W; Boghosian, Soghomon

    2010-07-22

    The structural and vibrational properties of NbV oxosulfato complexes formed in Nb2O5-K2S2O7 and Nb2O5-K2S2O7-K2SO4 molten mixtures with 0 2S2O7 molten system indicate that the dissolution of Nb2O5 proceeds with consumption of S2O72- leading to the formation of a NbV oxosulfato complex according to Nb2O5 + nS2O72- --> C2n-; a simple formalism exploiting the relative Raman band intensities is used for determining the stoichiometric coefficient, n, pointing to n = 3 and to the following reaction: Nb2O5 + 3S2O72- --> 2NbO(SO4)33-, which is consistent with the Raman spectra of the molten mixtures. Nb2O5 could be dissolved much easier when K2SO4 was present in an equimolar (1:1) SO42-/Nb ratio; the incremental presence of K2SO4 in Nb2O5-K2S2O7 melts induces composition effects in the Raman spectra that terminate when n(SO42-)/n(Nb) = 1. The composition effects and the temperature-dependent features of the Raman spectra obtained for Nb2O5-K2S2O7-K2SO4 molten mixtures together with the spectral changes occurring upon freezing are accounted for by a Nb2O5.3K2S2O7.2K2SO4 stoichiometry for the complete reaction taking place: Nb2O5 + 3S2O72- + 2SO42- --> NbO(SO4)4S2O77- + NbO2(SO4)23-. The spectral data are discussed in terms of the most plausible structural models, for which consistent band assignments are made. The most characteristic Raman bands for the NbV oxosulfato complexes pertain to Nb=O modes: (i) at 937 cm-1 for the mono-oxo Nb=O mode of NbO(SO4)33-; (ii) at 958 cm-1 for the mono-oxo Nb=O mode of NbO(SO4)4S2O77-; and (iii) at 926 cm-1 for the symmetric dioxo Nb(=O)2 mode of NbO2(SO4)23-.

  5. Monothiol Glutaredoxins Can Bind Linear [Fe3S4]+ and [Fe4S4]2+ Clusters in Addition to [Fe2S2]2+ Clusters: Spectroscopic Characterization and Functional Implications

    PubMed Central

    Zhang, Bo; Bandyopadhyay, Sibali; Shakamuri, Priyanka; Naik, Sunil G.; Huynh, Boi Hanh; Couturier, Jérémy; Rouhier, Nicolas; Johnson, Michael K.

    2013-01-01

    Saccharomyces cerevisiae mitochondrial glutaredoxin 5 (Grx5) is the archetypical member of a ubiquitous class of monothiol glutaredoxins with a strictly conserved CGFS active-site sequence that has been shown to function in biological [Fe2S2]2+ cluster trafficking. In this work, we show that recombinant S. cerevisiae Grx5 purified aerobically after prolonged exposure of the cell-free extract to air or after anaerobic reconstitution in the presence of glutathione, predominantly contains a linear [Fe3S4]+ cluster. The excited state electronic properties and ground state electronic and vibrational properties of the linear [Fe3S4]+ cluster have been characterized using UV-visible absorption/CD/MCD, EPR, Mössbauer and resonance Raman spectroscopies. The results reveal a rhombic S = 5/2 linear [Fe3S4]+ cluster with properties similar to those reported for synthetic linear [Fe3S4]+ clusters and the linear [Fe3S4]+ clusters in purple aconitase. Moreover, the results indicate that the Fe-S cluster content previously reported for many monothiol Grxs has been misinterpreted exclusively in terms of [Fe2S2]2+ clusters, rather than linear [Fe3S4]+ clusters or mixtures of linear [Fe3S4]+ and [Fe2S2]2+ clusters. In the absence of GSH, anaerobic reconstitution of Grx5 yields a dimeric form containing one [Fe4S4]2+ cluster that competent for in vitro activation of apo-aconitase, via intact cluster transfer. The ligation of the linear [Fe3S4]+ and [Fe4S4]2+ clusters in Grx5 has been assessed by spectroscopic, mutational and analytical studies. Potential roles for monothiol Grx5 in scavenging and recycling linear [Fe3S4]+ clusters released during protein unfolding under oxidative stress conditions and in maturation of [Fe4S4]2+ cluster-containing proteins are discussed in light of these results. PMID:24032439

  6. Comparison of effects of epigallocatechin-3-gallate on hypoxia injury to human umbilical vein, RF/6A, and ECV304 cells induced by Na(2)S(2)O(4).

    PubMed

    Yu, Hai-ning; Ma, Xiao-Li; Yang, Jun-guo; Shi, Chang-chun; Shen, Sheng-rong; He, Guo-qing

    2007-01-01

    Hypoxia is related to the etiology of numerous pathological disease states, such as the formation of tumors or diverse retinopathies. Epigallocatechin-3-gallate (EGCG), a potent polyphenolic antioxidant and antiangiogenic compound found in green tea, has been shown to suppress the growth of blood vessels necessary for the growth of tumors and the induction of retinopathies. However, only a few studies have been carried focusing on the protective effects of EGCG on hypoxia-induced injury of cultured endothelial cells. The present study investigated the effects of EGCG on Na(2)S(2)O(4)-induced hypoxic injury in three types of cultured endothelial cells, primary isolates of normal human umbilical vein endothelial cells (HUVECs), and two transformed endothelial cells lines, RF/6A and ECV304. Our results indicated that Na(2)S(2)O(4) inhibited the growth of HUVE, RF/6A, and ECV304 cells in a dose-dependent manner; EGCG also exerted inhibitory effects on the growth of the three cell types, but the toxicity of EGCG to HUVECs was less than to RF/6A and ECV304 cells. The viability of HUVE, RF/6A, and ECV304 cells treated with EGGC were the lowest at 24, 24, and 36 h, respectively, and the IC(50) of EGCG were 420 +/- 8.0, 125 +/- 7.1, and 75 +/- 5.1 microM, respectively. Furthermore, EGCG, an efficient nontoxic agent, protected all three cell types from Na(2)S(2)O(4)-induced hypoxia injury, providing partial protection from hypoxia-induced injury in normal endothelial cells at 100, 30, and 10 microM for HUVE, RF/6A, and ECV304 cells, respectively.

  7. Relativistic electron correlation, quantum electrodynamics, and the lifetime of the 1s(2)2s(2)2p2p0(3/2) level in boronlike argon.

    PubMed

    Lapierre, A; Jentschura, U D; Crespo López-Urrutia, J R; Braun, J; Brenner, G; Bruhns, H; Fischer, D; González Martínez, A J; Harman, Z; Johnson, W R; Keitel, C H; Mironov, V; Osborne, C J; Sikler, G; Soria Orts, R; Shabaev, V; Tawara, H; Tupitsyn, I I; Ullrich, J; Volotka, A

    2005-10-28

    The lifetime of the Ar13+ 1s(2)2s(2)2p2p0(3/2) metastable level was determined at the Heidelberg Electron Beam Ion Trap to be 9.573(4)(5). The accuracy level of one per thousand makes this measurement sensitive to quantum electrodynamic effects like the electron anomalous magnetic moment (EAMM) and to relativistic electron-electron correlation effects like the frequency-dependent Breit interaction. Theoretical predictions, adjusted for the EAMM, cluster about a lifetime that is approximately shorter than our experimental result.

  8. Disilicon complexes with two hexacoordinate Si atoms: paddlewheel-shaped isomers with (ClN4 )Si-Si(S4 Cl) and (ClN2 S2 )Si-Si(S2 N2 Cl) skeletons.

    PubMed

    Wagler, Jörg; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben

    2013-10-11

    The reaction of 1-methyl-3-trimethylsilylimidazoline-2-thione with hexachlorodisilane proceeds toward substitution of four of the disilane Cl atoms during the formation of disilicon complexes with two neighboring hexacoordinate Si atoms. The N,S-bidentate methimazolide moieties adopt a buttressing role, thus forming paddlewheel-shaped complexes of the type ClSi(μ-mt)4 SiCl (mt=methimazolyl). Most interestingly, three isomers (i.e., with (ClN4 )SiSi(S4 Cl), (ClN3 S)SiSi(S3 NCl), and (ClN2 S2 )SiSi(S2 N2 Cl) skeletons as so-called (4,0), (3,1), and cis-(2,2) paddlewheels) were detected in solution by using (29) Si NMR spectroscopic analysis. Two of these isomers could be isolated as crystalline solids, thus allowing their molecular structures to be analyzed by using X-ray diffraction studies. In accord with time-dependent NMR spectroscopy, computational analyses proved the cis-(2,2) isomer with a (ClN2 S2 )SiSi(S2 N2 Cl) skeleton to be the most stable. The compounds presented herein are the first examples of crystallographically evidenced disilicon complexes with two SiSi-bonded octahedrally coordinated Si atoms and representatives of the still scarcely explored class of Si coordination compounds with sulfur donor atoms. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Outer-shell photodetachment of the metastable Be{sup -} 1s{sup 2}2s2p{sup 2} {sup 4}P{sup e} state

    SciTech Connect

    Sanz-Vicario, Jose Luis; Lindroth, Eva

    2003-07-01

    We report calculated photodetachment cross sections from the metastable Be{sup -} 1s{sup 2}2s2p{sup 2} {sup 4}P{sup e} state in the photon energy range 0-10 eV. Outer-shell photodetachment takes place in this energy range, which includes the double-ionization threshold Be{sup +}({sup 2}S{sup e}) at {approx}7 eV as well as doubly excited thresholds of the residual atom up to the Be(1s{sup 2}2p4f) threshold at {approx}10 eV. Therefore, triply excited states of Be{sup -} are reached within the selected photon energy. We have implemented the complex scaled configuration interaction method along with a model potential for the 1s{sup 2} core to uncover the first series of Be{sup -} {sup 4}L{sup o} resonant states. In this work, four {sup 4}P{sup o}, seven {sup 4}D{sup o}, and two {sup 4}S{sup o} resonances are reported and we compare our cross section with other previous theoretical calculations, that reported none or, at most, two resonances.

  10. Wet oxidation of ordered mesoporous carbon FDU-15 by using (NH4)2S2O8 for fast adsorption of Sr(II): An investigation on surface chemistry and adsorption mechanism

    NASA Astrophysics Data System (ADS)

    Song, Yang; Ye, Gang; Chen, Jing; Lv, Dachao; Wang, Jianchen

    2015-12-01

    Surface modification of ordered mesoporous carbon (OMC) by wet oxidation provides an oxygen-enriched platform for complexation of metal ions. Here, we present a comprehensive study on the surface chemistry and textual property of OMC FDU-15 modified by wet oxidation using (NH4)2S2O8 as a benign oxidant. And, for the first time, the adsorption behavior and mechanism of wet-oxidized OMC FDU-15 toward Sr(II) in aqueous solutions were investigated. The mesostructural regularity of the OMC FDU-15 was well-reserved under wet oxidation. Compared to OMC CMK-type counterparts prepared via nanocasting, the OMC FDU-15 by soft template method showed much-enhanced structural stability. Due to the introduction of abundant oxygen-containing species, the oxidized OMC FDU-15 exhibited excellent hydrophilicity and dispersibility in aqueous solutions. The adsorption behavior toward Sr(II) was fully investigated, showing a super-fast adsorption kinetics (< 5 min to reach equilibrium) and a Langmuir adsorption isotherm. Moreover, an in-depth X-ray photoelectron spectroscopy analysis through deconvolution of high resolution C1s and O1s spectra was implemented to identify the chemical species of the surface functional groups, while probing the adsorption mechanism. The results suggested that oxygen donor atoms in Csbnd O single bonds mainly contribute to the adsorption of Sr(II) via formation of metal-ligand complexation.

  11. Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid using ab initio HF and DFT method.

    PubMed

    Prabakaran, A; Muthu, S

    2012-12-01

    The FT-IR and FT-Raman spectra of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid (2ADMA) were recorded in the region 4000-400 cm(-1) and 4000-100 cm(-1), respectively. The geometrical structure, harmonic vibrational frequency, infrared intensity, Raman activities and bonding features of this compound was carried out by ab initio HF and DFT methods with 6-31G (d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The electric dipole moment (μ) and the first-order hyperpolarizability (β(0)) values have been the computed quantum mechanically. The calculated HOMO and LUMO energies show that, the charge transfer occurs within the molecule. The charge delocalizations of these molecules have been analyzed using NBO analysis. The solvent effects have been calculated using TD-DFT in combination with the polarized continuum model (PCM), and the results are in good agreement with experimental measurements. The other molecular properties like Mulliken population analysis, electrostatic potential (ESP) and thermodynamic properties of the title compound at the different temperatures have been calculated. Finally, the calculation results were applied to simulate infrared and Raman spectra of the title compound which shows good agreement with observed spectra.

  12. Computational Insights on the Mechanism of H2 Activation at Ir2S2(PPh3)4: A Combination of Multiple Reaction Pathways Involving Facile H Migration Processes.

    PubMed

    Algarra, Andrés G

    2017-01-03

    The complex Ir2S2(PPh3)4 (1) is known to react with 1 and 2 equivalents of H2 leading to [Ir(H)(PPh3)2]2(μ-S)2 (2) and Ir2(μ-S)(μ-SH)(μ-H)H2(PPh3)4 (4), respectively ( Linck , R. C. ; Pafford , R. J. ; Rauchfuss , T. B. J. Am. Chem. Soc. 2001 , 123 , 8856 - 8857 ). Herein, the results of a thorough computational (DFT) study of these formally homo- and heterolytic H2 activation processes, respectively, are presented. These indicate that 2 is formed in a two-step process whereby the oxidative addition of H2 at a single Ir(II) center of 1 generates an intermediate (A) that rearranges into 2 by means of a facile H migration to the neighboring Ir center. Activation of the second equivalent of H2 most likely occurs at the bridging sulfur ligands of 2 leading to a reaction intermediate (3aa) that features two (μ-SH) ligands. Intermediate 3aa present two isomers that differ only on the stereochemistry of the (μ-SH) ligands, and both of them can further evolve into 4 via H migration from (μ-SH) to bridging (μ-H). Nevertheless, an alternative mechanism based on the initial isomerization of 2 into A, and followed by H2 coordination and activation steps at a single Ir center cannot be completely ruled out. In general, the results herein show that the mechanisms for the activation of H2 at 1 and 2 involve facile H migration processes, in agreement with the experimentally observed intermetallic hydride exchange in 2 and the exchange between IrH and SH centers in 4, which proceed with computed free energy barriers of ca. 19-23 kcal mol(-1).

  13. Electron distribution in the nonclassical bis(dithiolene) electron transfer series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): assessment by structural, spectroscopic, and density functional theory results.

    PubMed

    Fomitchev, D V; Lim, B S; Holm, R H

    2001-02-12

    The electron-transfer series [M(CO)2(S2C2Me2)2]0/1-/2- (series 2) have been established, and the previously reported series [M(S2C2Me2)3]0/1-/2- (series 3) confirmed, by voltammetry (M = Mo, W). Redox reactions are reversible with EMo > EW, and all members of each series have been isolated. Members of a given series have very similar distorted trigonal prismatic structures; isoelectronic complexes are isostructural. The existence of these series with structurally characterized members facilitates examination of geometric and electronic properties over three consecutive oxidation states. Upon traversing the series in the reducing direction, M-S, S-C, and C-O bond distances increase, and M-C, chelate ring C-C, and vCO values decrease. Density functional calculations identify the electroactive orbital, which is well separated in energy from other orbitals. Trends in bond lengths and vibrational frequencies in a given series are fully accountable in terms of increasing population of this orbital, whose composition is roughly constant across the series and is dominantly ligand (ca. 80%) in character. Consequently, redox reactions in the two series are essentially ligand-based. The noninnocent nature of dithiolene ligands in oxidized complexes has been long recognized. The results of DFT calculations provide a contemporary description of the delocalized ground states in the two series. The trends in parameters involving the carbonyl groups provide a particularly clear indication of the classical behavior of a pi-acceptor ligand in isostructural molecules subject to consecutive reductions over three oxidation states.

  14. X-ray Absorption and Emission Spectroscopic Studies of [L2Fe2S2]n Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron–Sulfur Clusters

    PubMed Central

    2016-01-01

    Herein, a systematic study of [L2Fe2S2]n model complexes (where L = bis(benzimidazolato) and n = 2-, 3-, 4-) has been carried out using iron and sulfur K-edge X-ray absorption (XAS) and iron Kβ and valence-to-core X-ray emission spectroscopies (XES). These data are used as a test set to evaluate the relative strengths and weaknesses of X-ray core level spectroscopies in assessing redox changes in iron–sulfur clusters. The results are correlated to density functional theory (DFT) calculations of the spectra in order to further support the quantitative information that can be extracted from the experimental data. It is demonstrated that due to canceling effects of covalency and spin state, the information that can be extracted from Fe Kβ XES mainlines is limited. However, a careful analysis of the Fe K-edge XAS data shows that localized valence vs delocalized valence species may be differentiated on the basis of the pre-edge and K-edge energies. These findings are then applied to existing literature Fe K-edge XAS data on the iron protein, P-cluster, and FeMoco sites of nitrogenase. The ability to assess the extent of delocalization in the iron protein vs the P-cluster is highlighted. In addition, possible charge states for FeMoco on the basis of Fe K-edge XAS data are discussed. This study provides an important reference for future X-ray spectroscopic studies of iron–sulfur clusters. PMID:27097289

  15. Polarizabilities of the beryllium clock transition

    SciTech Connect

    Mitroy, J.

    2010-11-15

    The polarizabilities of the three lowest states of the beryllium atom are determined from a large basis configuration interaction calculation. The polarizabilities of the 2s{sup 2} {sup 1}S{sup e} ground state (37.73a{sub 0}{sup 3}) and the 2s2p {sup 3}P{sub 0}{sup o} metastable state (39.04a{sub 0}{sup 3}) are found to be very similar in size and magnitude. This leads to an anomalously small blackbody radiation shift at 300 K of -0.018(4) Hz for the 2s{sup 2} {sup 1}S{sup e}-2s2p {sup 3}P{sub 0}{sup o} clock transition. Magic wavelengths for simultaneous trapping of the ground and metastable states are also computed.

  16. Transition Planning

    ERIC Educational Resources Information Center

    Statfeld, Jenna L.

    2011-01-01

    Post-school transition is the movement of a child with disabilities from school to activities that occur after the completion of school. This paper provides information about: (1) post-school transition; (2) transition plan; (3) transition services; (4) transition planning; (5) vocational rehabilitation services; (6) services that are available…

  17. Vanadium complexes of the N(CH2CH2S)3(3-) and O(CH2CH2S)2(2-) ligands with coligands relevant to nitrogen fixation processes.

    PubMed

    Davies, S C; Hughes, D L; Janas, Z; Jerzykiewicz, L B; Richards, R L; Sanders, J R; Silverston, J E; Sobota, P

    hydrolysis and to [V(NS3)(NCPh3)] (11) by reaction with ClCPh3. Compound 10 is converted into 1 by [NMe4]OH and to [V(NS3)NLi(THF)2] (12) by LiNPri in THF. A further range of imido complexes [V(NS3)(NR4)] (R4 = C6H4Y-4 where Y = H (13a), OMe (13b), Me (13c), Cl (13d), Br (13e), NO2 (13f); R4 = C6H4Y-3, where Y = OMe (13g); Cl (13h); R4 = C6H3Y2-3,4, where Y = Me (13i); Cl (13j); R4 = C6H11 (13k)) has been prepared by reaction of 1 with R4NCO. The precursor complex [V(OS2)O(dipp)] (14) [OS2(2-) = O(CH2CH2S)2(2-)] has been prepared from [VO(OPri)3], Hdipp, and OS2H2. It reacts with NH2NMe2 to give [V(OS2)(NNMe2)(dipp)] (15) and with N3SiMe3 to give [V(OS2)(NSiMe3)(dipp)] (16). A second oxide precursor, formulated as [V(OS2)1.5O] (17), has also been obtained, and it reacts with SiMe3NHNMe2 to give [V(OS2)(NNMe2)(OSiMe3)] (18). The X-ray crystal structures of the complexes 2b, 2c, 4, 6, 7a, 8a, 9, 10, 13d, 14, 15, 16, and 18 have been determined, and the 51V NMR and other spectroscopic parameters of the complexes are discussed in terms of electronic effects.

  18. Transition-metal-free synthesis of phenanthridinones from biaryl-2-oxamic acid under radical conditions.

    PubMed

    Yuan, Ming; Chen, Li; Wang, Junwei; Chen, Shenjie; Wang, Kongchao; Xue, Yongbo; Yao, Guangmin; Luo, Zengwei; Zhang, Yonghui

    2015-01-16

    Na2S2O8-promoted decarboxylative cyclization of biaryl-2-oxamic acid for phenanthridinones has been developed. This work illustrates the first example of intramolecular decarboxylative amidation of unactivated arene under transition-metal-free conditions. Additionally, this approach provides an efficient and economical method to access biologically interesting phenanthridinones, an important structure motif in many natural products.

  19. Transition probabilities in the lithium sequence

    NASA Astrophysics Data System (ADS)

    Martin, I.; Karwowski, J.; Diercksen, G. H. F.; Barrientos, C.

    1993-09-01

    The quantum defect orbital (QDO) method and the relativistic QDO are used to calculate oscillator strengths for the 2s 2S-np 2P(o) (n = 2, 3, 4), 2P 2P(o)-nd 2D (n = 3, 4), 3d 2D-4f 2F(o), and 2p 2P(o)-ns 2S (N = 3, 4) transitions in lithiumlike atoms for Z = 3 to A = 45. The results obtained by the RQDO method agree very well with the best estimates found in the literature.

  20. Work transitions.

    PubMed

    Fouad, Nadya A; Bynner, John

    2008-01-01

    Individuals make choices in, and adjust to, a world of work that is often a moving target. Because work is so central to human functioning, and transitions in and out of work can have major mental health repercussions, the authors argue that applied psychologists in health services need to understand those transitions. This article focuses on the different types of transition throughout a person's working life and the resources needed at different stages to ensure the success of these transitions. The authors start by examining the roles of capability and adaptability in supporting and facilitating adjustment to work transitions and their relation to identity development. They then examine the role of social and institutional contexts in shaping work transitions and their outcomes. The authors focus on voluntary versus involuntary transitions and then broaden the lens in discussing the policy implications of research on work transitions.

  1. Dynamic Stark effect and forbidden-transition spectrallineshapes

    SciTech Connect

    Stalnaker, Jason E.; Budker, D.; Freedman, S.J.; Guzman, J.S.; Rochester, S.M.; Yashchuk, V.V.

    2005-12-15

    We report on an experimental and theoretical study of thedynamic (ac) Stark effect on a for bidden transition. A general frameworkfor parameterizing and describing off-resonant ac-Stark shifts ispresented. A model is developed to calculate spectral line shapesresulting from resonant excitation of atoms in an intense standinglight-wave in the presence of off-resonant ac-Stark shifts. The model isused in the analysis and interpretation of a measurement of the ac-Starkshifts of the static-electric-field-induced 6s2 1S0 -->5d6s 3D1transition at 408 nm in atomic Yb. The results are in agreement withestimates of the ac-Stark shift of the transition under the assumptionthat the shift is dominated by that of the 6s2 1S0 ground state. Adetailed description of the experiment and analysis is presented. Abi-product of this work is an ind ependent determination (from thesaturation behavior of the 408-nm transition) of the Stark transitionpolarizability, which is found to be in agreement with our earliermeasurement. This work is part of the ongoing effort aimed at a precisionmeasurement of atomic parity-violation effects in Yb.

  2. Direct loading of a large Yb MOT on the {}^{1}{{\\rm{S}}}_{0}\\;\\to {}^{3}{{\\rm{P}}}_{1} transition

    NASA Astrophysics Data System (ADS)

    Guttridge, A.; Hopkins, S. A.; Kemp, S. L.; Boddy, D.; Freytag, R.; Jones, M. P. A.; Tarbutt, M. R.; Hinds, E. A.; Cornish, S. L.

    2016-07-01

    We report a robust technique for laser frequency stabilisation that enables the reproducible loading of in excess of 109 Yb atoms from a Zeeman slower directly into a magneto-optical trap (MOT) operating on the {}1{{{S}}}0\\to {}3{{{P}}}1 transition, without the need for a first stage MOT on the {}1{{{S}}}0\\to {}1{{{P}}}1 transition. We use a simple atomic beam apparatus to generate narrow fluorescence signals on both the 399 nm {}1{{{S}}}0\\to {}1{{{P}}}1 transition used for the Zeeman slower and the 556 nm {}1{{{S}}}0\\to {}3{{{P}}}1 transition. We present in detail the methods for obtaining spectra with a high signal-to-noise ratio and demonstrate error signals suitable for robust frequency stabilisation. Finally we demonstrate the stability and precision of our technique through sensitive measurements of the gravitational sag of the Yb MOT as a function of the intensity of the laser cooling beams, which are in good agreement with theory. These results will be important for efficient loading of the atoms into an optical dipole trap.

  3. Venus Transit

    NASA Image and Video Library

    2012-06-05

    It appeared that New Yorkers were not going to be able to see the transit of the planet Venus across the Sun, but just before the transit was over the sun broke through the clouds and Yvette Lee Kang was able to catch a glimpse of the transit on Tuesday, June 5, 2012 in New York. A transit of Venus occurs when the planet passes directly between the sun and earth. This alignment is rare, coming in pairs that are eight years apart but separated by over a century. The next Venus transit will be in December 2117. Photo Credit: (NASA/Bill Ingalls)

  4. Venus Transit

    NASA Image and Video Library

    2012-06-05

    It appeared that New Yorkers were not going to be able to see the transit of the planet Venus across the Sun, but just before the transit was over the sun broke through the clouds and Liz Heller and Andriel Mesznik were able to catch a glimpse of the transit on Tuesday, June 5, 2012 in New York. A transit of Venus occurs when the planet passes directly between the sun and earth. This alignment is rare, coming in pairs that are eight years apart but separated by over a century. The next Venus transit will be in December 2117. Photo Credit: (NASA/Bill Ingalls)

  5. Storage-ring measurements of hyperfine induced transition rates in berylliumlike ions

    SciTech Connect

    Schippers, Stefan

    2013-07-11

    The status of experimental measurements and theoretical calculations of the hyperfine induced 2s2p{sup 3}P{sub 0}{yields}2s{sup 21}S{sub 0} transition rate in Be-like ions is reviewed. Possible reasons, such as external electromagnetic fields and competing E1M1 two-photon transitions, for presently existing significant discrepancies between experiment and theory are discussed. Finally, directions for future research are outlined.

  6. Ab initio oscillator strengths and transition probabilities in oxygen-like Cr XVII

    SciTech Connect

    Bogdanovich, P.; Karpuskiene, R.

    2008-09-15

    Ab initio energy spectra of the ground configuration 2s{sup 2}2p{sup 4}, the excited configurations 2s2p{sup 5}, 2p{sup 6}, 2s{sup 2}2p{sup 3}3s, 2s{sup 2}2p{sup 3}3p, 2s{sup 2}2p{sup 3}3d, 2s2p{sup 4}3s, 2s2p{sup 4}3p, and 2s2p{sup 4}3d of oxygen-like chromium Cr XVII have been calculated using the configuration interaction method. The wavelengths, oscillator strengths and the emission transition probabilities from configurations 2s{sup 2}2p{sup 3}3l and 2s2p{sup 4}3l are obtained. The radiative lifetimes of excited levels are also presented.0.

  7. Accurate transition rates for intercombination lines of singly ionized nitrogen

    NASA Astrophysics Data System (ADS)

    Tayal, S. S.

    2011-01-01

    The transition energies and rates for the 2s22p2 3P1,2-2s2p3 5S2o and 2s22p3s-2s22p3p intercombination transitions have been calculated using term-dependent nonorthogonal orbitals in the multiconfiguration Hartree-Fock approach. Several sets of spectroscopic and correlation nonorthogonal functions have been chosen to describe adequately term dependence of wave functions and various correlation corrections. Special attention has been focused on the accurate representation of strong interactions between the 2s2p3 1,3P1o and 2s22p3s 1,3P1olevels. The relativistic corrections are included through the one-body mass correction, Darwin, and spin-orbit operators and two-body spin-other-orbit and spin-spin operators in the Breit-Pauli Hamiltonian. The importance of core-valence correlation effects has been examined. The accuracy of present transition rates is evaluated by the agreement between the length and velocity formulations combined with the agreement between the calculated and measured transition energies. The present results for transition probabilities, branching fraction, and lifetimes have been compared with previous calculations and experiments.

  8. Accurate transition rates for intercombination lines of singly ionized nitrogen

    SciTech Connect

    Tayal, S. S.

    2011-01-15

    The transition energies and rates for the 2s{sup 2}2p{sup 2} {sup 3}P{sub 1,2}-2s2p{sup 3} {sup 5}S{sub 2}{sup o} and 2s{sup 2}2p3s-2s{sup 2}2p3p intercombination transitions have been calculated using term-dependent nonorthogonal orbitals in the multiconfiguration Hartree-Fock approach. Several sets of spectroscopic and correlation nonorthogonal functions have been chosen to describe adequately term dependence of wave functions and various correlation corrections. Special attention has been focused on the accurate representation of strong interactions between the 2s2p{sup 3} {sup 1,3}P{sub 1}{sup o} and 2s{sup 2}2p3s {sup 1,3}P{sub 1}{sup o}levels. The relativistic corrections are included through the one-body mass correction, Darwin, and spin-orbit operators and two-body spin-other-orbit and spin-spin operators in the Breit-Pauli Hamiltonian. The importance of core-valence correlation effects has been examined. The accuracy of present transition rates is evaluated by the agreement between the length and velocity formulations combined with the agreement between the calculated and measured transition energies. The present results for transition probabilities, branching fraction, and lifetimes have been compared with previous calculations and experiments.

  9. Transitional Care

    ERIC Educational Resources Information Center

    Naylor, Mary; Keating, Stacen A.

    2008-01-01

    Transitional care encompasses a broad range of services and environments designed to promote the safe and timely passage of patients between levels of health care and across care settings. High-quality transitional care is especially important for older adults with multiple chronic conditions and complex therapeutic regimens, as well as for their…

  10. Transitional Care

    ERIC Educational Resources Information Center

    Naylor, Mary; Keating, Stacen A.

    2008-01-01

    Transitional care encompasses a broad range of services and environments designed to promote the safe and timely passage of patients between levels of health care and across care settings. High-quality transitional care is especially important for older adults with multiple chronic conditions and complex therapeutic regimens, as well as for their…

  11. Cross sections and rate coefficients for excitation of Δn = 1 transitions in Li-like ions with 6 < Z < 42.

    NASA Astrophysics Data System (ADS)

    Safronova, U. I.; Safronova, M. S.; Kato, T.

    Excitation cross sections and rate coefficients by electron impact were calculated for the 1s22s - 1s2s2p, 1s22s - 1s2s2 and 1s22s - 1s2p2 transitions of the Li-like ions (C IV, N V, O VI, Ne VIII, Mg X, Al XI, Si XII, S XIV, Ar XVI, Ca XVIII, Ti XX, Fe XXIV, Ni XXVI, Zn XXVIII, Ge XXX, Se XXXII, Kr XXXIIV and Mo XXXX) by a Coulomb-Born approximation with exchange and including relativistic effects and configuration interactions. Level energies, mixing coefficients and transition wavelengths and probabilities were also computed.

  12. Geological Transition

    NASA Image and Video Library

    2014-09-11

    This image, taken by NASA Mars Reconnaissance Orbiter, shows the transition between the Murray Formation, in which layers are poorly expressed and difficult to trace from orbit, and the hematite ridge, which is made up of continuous layers.

  13. High-resolution laser spectroscopy of ultracold ytterbium atoms using spin-forbidden electric quadrupole transition

    NASA Astrophysics Data System (ADS)

    Uetake, S.; Yamaguchi, A.; Hashimoto, D.; Takahashi, Y.

    2008-11-01

    We have successfully observed high-resolution spectra of spin-forbidden electric quadrupole transition (1 S 0→3 D 2) in ytterbium (174Yb) atoms. The differential light shifts between the 1 S 0 and the 3 D 2 states in a far-off resonant trap at 532 nm are also measured. For the spectroscopy, we developed simple, narrow-linewidth, and long-term frequency stabilized violet diode laser systems. Long-term drifts of the excitation laser (404 nm) is suppressed by locking the laser to a length stabilized optical cavity. The optical path length of the cavity is stabilized to another diode laser whose frequency is locked to a strong 1 S 0→1 P 1 transition (399 nm) of Yb. Both lasers are standard extended-cavity diode lasers (ECDLs) in the Littrow configuration. Since the linewidth of a violet ECDL (˜10 MHz) is broader than a typical value of a red or near infra-red ECDL (<1 MHz), we employ optical feedback from a narrow-band Fabry-Perot cavity to reduce the linewidth. The linewidth is expected to be <20 kHz for 1 ms averaging time, and the long-term frequency stability is estimated to be ˜200 kHz/h.

  14. Fragmentation functions of (1S0) and (3S1) considering the role of heavy quarkonium spin

    NASA Astrophysics Data System (ADS)

    Moosavi Nejad, S. M.

    2015-07-01

    The production of heavy quarkonia is a powerful tool to test our understanding of strong interaction dynamics. It is well known that the dominant production mechanism for heavy quarkonia with large transverse momentum is fragmentation. In this work we, analytically, calculate the QCD leading-order contribution to the process-independent fragmentation functions (FFs) for a gluon to split into the vector () and pseudoscalar () S-wave charmonium states. The analyses of this paper differ in which we present, for the first time, an analytical form of the FF using a different approach (Suzuki's model) in comparison with other results presented in the literature, where the Braaten scheme was used and the two-dimensional integrals were presented for the gluon FFs which must be evaluated numerically. The universal fragmentation probability for the is about which is in good consistency with the result obtained in the Braaten model.

  15. Be I isoelectronic ions embedded in hot plasma.

    PubMed

    Saha, B; Fritzsche, S

    2006-03-01

    The influence of plasma screening on the 2s(2 1)S0-->2s2p(3)p(0)1 intercombination and the 2s(2 1)S0-->2s2p(1)p(0)1 allowed transitions is investigated theoretically for several ions along the isoelectronic sequence (C III, N IV, O V, Si XI, Fe XXIII, and Mo XXXIX). For the case of a weakly coupled hot plasma, multiconfiguration Dirac-Fock computations have been carried out for these ions by considering a (time averaged) Debye-Hückel potential for both the "electron-nucleus" and "electron-electron" interaction. The plasma screening is found to enlarge the 2s(2 1)S0-->2s2p(3)p(0)1 excitation energy uniformly along the Be I isoelectronic sequence, leading to an increasing blueshift of this intercombination line as the nuclear charge is increased. For the 2s(2 1)S0-->2s2p(1)p(0)1 resonance line, in contrast, the transition energy is either blueshifted or redshifted in dependence of the screening parameter and owing to a cancellation of the plasma screening on the electron-nucleus and electron-electron interaction. This interplay of the (external) plasma screening with the internal interactions in the berylliumlike ions leads, for instance, to a shift of the resonance transition from red to blue in going from O V to Si XI ions. Apart from the screening effects on the transition energies, we also investigate their influence on the oscillator strengths and emission rates along the Be I isoelectronic sequence.

  16. Synthesis and Characterization of Neutral Hexanuclear Iron Sulfur Clusters Containing Stair-like [Fe(6)(&mgr;(3)-S)(4)(&mgr;(2)-SR)(4)] and Nest-like [Fe(6)(&mgr;(3)-S)(2)(&mgr;(2)-S)(2)(&mgr;(4)-S)(&mgr;(2)-SR)(4)] Core Structures.

    PubMed

    Osterloh, Frank; Saak, Wolfgang; Pohl, Siegfried; Kroeckel, Monika; Meier, Christian; Trautwein, Alfred X.

    1998-07-13

    The binuclear iron complex [{Fe("EtN(2)S(2)")}(2)] (1b, "EtN(2)S(2)" = N,N'-diethyl-3,7-diazanonane-1,9-dithiolate) was prepared from the free ligand and ferrous bis[bis(trimethylsilyl)amide] in toluene. In dichloromethane 1b reacts with the [Fe(4)S(4)I(4)](2-) cubane cluster to displace two iodo ligands and to form the neutral hexanuclear cluster [{Fe("EtN(2)S(2)")}(2)Fe(4)S(4)I(2)] (2), which is isolated as black crystals in 87% yield. As elucidated by an X-ray structure analysis, 2 contains the novel hexanuclear stair-like [Fe(6)(&mgr;(3)-S)(4)(&mgr;(2)-SR)(4)] core, which exhibits crystallographic inversion symmetry. The compound crystallizes as a solvate with two molecules of CH(2)Cl(2) per formula unit in the monoclinic space group P2(1)/n with a = 1570.5(2) pm, b = 1060.2(1) pm, c = 1604.0(2) pm, beta = 114.93(1) degrees, and Z = 2. In the aprotic polar solvents DMF, 1,2-propylenecarbonate, and DMSO, 2 dissolves with decomposition and formation of the cluster [{Fe("EtN(2)S(2)")}(2)Fe(4)S(5)] (3), which is isolated as black needles from DMF. 3.2DMF crystallizes in the triclinic space group P&onemacr; with a = 950.9(1) pm, b = 1086.0(1) pm, c = 2381.5(2) pm, alpha = 101.81(1) degrees, beta = 91.94(1) degrees, gamma = 97.01(1) degrees, and Z = 2. The neutral compound contains a nest-like [Fe(6)(&mgr;(4)-S)(&mgr;(3)-S)(2)(&mgr;(2)-S)(2)(&mgr;(2)-SR)(4)] core of idealized C(2)(v)() symmetry that is closely related to that of other well-known clusters, e.g., the cluster anion [Fe(6)S(9)(SR)(2)](4-). The zero-field (57)Fe Mössbauer spectrum of 3 is in accordance with four Fe(2.5+)S(4) centers (delta = 0.46 mm/s; DeltaE(Q) = 1.14 mm/s) and two N(2)S(3)-bound high-spin Fe(2+) sites (delta = 0.83 mm/s; DeltaE(Q) = 3.64 mm/s). A total cluster spin of 0 is deduced from the Mössbauer spectrum at 4.2 K and 5.3 T, which yields magnetic splitting from the applied field only. For 2, three subspectra are observed in the Mössbauer spectrum (a, delta = 0.45 mm/s, Delta

  17. Transition operators

    NASA Astrophysics Data System (ADS)

    Alcock-Zeilinger, J.; Weigert, H.

    2017-05-01

    In this paper, we give a generic algorithm of the transition operators between Hermitian Young projection operators corresponding to equivalent irreducible representations of 𝖲𝖴 (N ) , using the compact expressions of Hermitian Young projection operators derived in the work of Alcock-Zeilinger and Weigert [eprint arXiv:1610.10088 [math-ph

  18. Presidential Transitions

    DTIC Science & Technology

    2006-06-09

    Podesta for the Heads of Executive Departments and Agencies, “Presidential Transition Guidance,” Nov. 13, 2000. 89 U.S. General Services Administration...2000, presidential election, White House Chief of Staff John Podesta issued a November 13, 2000, memorandum to executive branch agencies stating that

  19. Tessellations & Transitions.

    ERIC Educational Resources Information Center

    Cassidy, Joan

    1998-01-01

    Describes two sixth-grade lessons on the work of M. C. Escher: (1) the first lesson instructs students on tessellations, or tiles that interlock in a repeated pattern; (2) the second lesson explores Escher's drawings of transitions from two- to three-dimensional space. (DSK)

  20. Venus transit

    NASA Image and Video Library

    2012-06-05

    Leslie Lowes from the NASA Jet Propulsion Laboratory in Pasadena, Calif., views the June 5, 2012, Venus transit through a solar telescope. Lowes participated in an education workshop at the INFINITY at NASA Stennis Space Center visitor center and joined others to view the rare celestial event when Venus traverses the face of the sun.

  1. Venus transit

    NASA Image and Video Library

    2012-06-05

    Guests at the INFINITY at NASA Stennis Space Center visitor center use special solar sunglasses to catch a lifetime view of the Venus transit June 5, 2012. The rare celestial event in which the planet Venus traverses the face of the sun will not be visible from Earth again until 2117.

  2. Muted Transitions

    ERIC Educational Resources Information Center

    Kofoed, Jette

    2008-01-01

    This analysis concentrates on the case of a child, Jenny. The paper suggests that the concept of liminality may hold the key to an understanding of muted subject positions like the one assumed by Jenny in a school class. Liminality is proposed as a way of conceptualizing transitions where the subject in question transgresses established rules and…

  3. Tessellations & Transitions.

    ERIC Educational Resources Information Center

    Cassidy, Joan

    1998-01-01

    Describes two sixth-grade lessons on the work of M. C. Escher: (1) the first lesson instructs students on tessellations, or tiles that interlock in a repeated pattern; (2) the second lesson explores Escher's drawings of transitions from two- to three-dimensional space. (DSK)

  4. The Formation and Spatiotemporal Progress of the pH Wave Induced by the Temperature Gradient in the Thin-Layer H2O2-Na2S2O3-H2SO4-CuSO4 Dynamical System.

    PubMed

    Jędrusiak, Mikołaj; Orlik, Marek

    2016-03-31

    The H2O2-S2O3(2-)-H(+)-Cu(2+) dynamical system exhibits sustained oscillations under flow conditions but reveals only a single initial peak of the indicator electrode potential and pH variation under batch isothermal conditions. Thus, in the latter case, there is no possibility of the coupling of the oscillations and diffusion which could lead to formation of sustained spatiotemporal patterns in this process. However, in the inhomogeneous temperature field, due to dependence of the local reaction kinetics on temperature, spatial inhomogeneities of pH distribution can develop which, in the presence of an appropriate indicator, thymol blue, manifest themselves as the color front traveling along the quasi-one-dimensional reactor. In this work, we describe the experimental conditions under which the above-mentioned phenomena can be observed and present their numerical model based on thermokinetic coupling and spatial coordinate introduced to earlier isothermal homogeneous kinetic mechanism.

  5. Eliminating Transitions

    ERIC Educational Resources Information Center

    Gallick, Barb; Lee, Lisa

    2010-01-01

    Adults often find themselves transitioning from one activity to another in a short time span. Most of the time, they do not feel they have a lot of control over their schedules, but wish that they could carve out extended time to relax and focus on one project. Picture a group of children in the block area who have spent 15 or 20 minutes building…

  6. Absolute measurement of the relativistic magnetic dipole transition energy in heliumlike argon.

    PubMed

    Amaro, Pedro; Schlesser, Sophie; Guerra, Mauro; Le Bigot, Eric-Olivier; Isac, Jean-Michel; Travers, Pascal; Santos, José Paulo; Szabo, Csilla I; Gumberidze, Alexandre; Indelicato, Paul

    2012-07-27

    The 1s2s (3)S(1)→1s(2) (1)S(0) relativistic magnetic dipole transition in heliumlike argon, emitted by the plasma of an electron-cyclotron resonance ion source, has been measured using a double-flat crystal x-ray spectrometer. Such a spectrometer, used for the first time on a highly charged ion transition, provides absolute (reference-free) measurements in the x-ray domain. We find a transition energy of 3104.1605(77) eV (2.5 ppm accuracy). This value is the most accurate, reference-free measurement done for such a transition and is in good agreement with recent QED predictions.

  7. Photoabsorption of the ground state of Ne and of Ne-like Na+, Mg2+, Al3+, Si4+, P5+, S6+, and Cl7+ ions

    NASA Astrophysics Data System (ADS)

    Sakho, I.

    2016-03-01

    Photoabsorption of the 1s2 2s2 2p6 (1S0) ground state of Ne-like ions is presented in this paper. Resonance energies and width of the 2 s 2p6 n p1P1 series of Ne and Ne-like Na+, Mg2+, Al3+, Si4+, P5+, S6+, and Cl7+ ions are reported. Wavelengths of the 2s2 2p6 (1S0) → 2s2 2p5(2P 3 / 2 , 1 / 2) n d transitions in neon-like Na+ ion and of the 2s2 2p6(1S0) → 2 s 2p6 n p1P1 transitions in Ne and in Ne-like Na+, Mg2+, Al3+, Si4+, P5+, S6+, and Cl7+ ions are tabulated. Analysis of the resonances investigated is done in the framework of the LS, jj and JK coupling schemes. All the calculations are made using the Screening constant by unit nuclear charge (SCUNC) formalism. Very good agreement is found between the SCUNC results and various experimental and theoretical literature values and new data for the Ne-like Si4+, P5+, S6+, and Cl7+ ions are listed.

  8. Venus Transit

    NASA Image and Video Library

    2012-06-05

    A "transit of Venus" occurs when the planet Venus passes directly between the sun and the Earth. During the event, Venus will be seen from Earth as a small black sphere moving across the face of the sun. Such an event won’t occur again until the year 2117. The Goddard Visitor Center hosted a watch party that included near real-time images from NASA’s Solar Dynamics Observatory mission, coverage of the event from several locations via NASA TV, in-person presentations by NASA experts, hands-on activities for children of all ages. Heavy cloud cover did not allow viewing opportunities of the transit via solar telescopes. Credit: NASA/Goddard Space Flight Center/Bill Hrybyk NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

  9. Intrinsic exciton-state mixing and nonlinear optical properties in transition metal dichalcogenide monolayers

    NASA Astrophysics Data System (ADS)

    Glazov, M. M.; Golub, L. E.; Wang, G.; Marie, X.; Amand, T.; Urbaszek, B.

    2017-01-01

    Optical properties of transition metal dichalcogenides monolayers are controlled by Wannier-Mott excitons forming a series of 1 s ,2 s ,2 p ,... hydrogen-like states. We develop the theory of the excited excitonic states energy spectrum fine structure. We predict that p - and s -shell excitons are mixed due to the specific D3 h point symmetry of the transition metal dichalcogenide monolayers. Hence, both s - and p -shell excitons are active in both single- and two-photon processes, providing an efficient mechanism of second harmonic generation. The corresponding contribution to the nonlinear susceptibility is calculated.

  10. Smooth Transition

    NASA Technical Reports Server (NTRS)

    2006-01-01

    22 February 2006 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows a transition from one of the many layered troughs in the north polar region of Mars to the relatively homogeneous-looking upper surface of the polar cap. The difference in brightness across this scene is a function of several factors, one of which is the amount of dust versus that of ice in any given location. The bright material that dominates the scene is largely water ice.

    Location near: 83.2oN, 297.8oW Image width: 3 km (1.9 mi) Illumination from: lower right Season: Northern Summer

  11. N = 3 - 3 Transitions of Ne-like Ions in the Iron Group, Especially Ca(10+) and Ti(12+)

    SciTech Connect

    Ishikawa, Y; Encarnacion, J L; Trabert, E

    2008-10-09

    The Ti XIII 2s{sup 2}2p{sup 5}3l-3l{prime} and 2s2p{sup 6}3l-3l{prime} transitions that have been discussed previously on the basis of beam-foil spectra and laser-produced plasmas in comparison to semi-empirically scaled computations have now been treated by accurate ab initio Multi-reference Moller-Plesset calculations. While most 2s{sup 2}2p{sup 5}3l-3l{prime} line identifications are supported by the new calculations, the 2s2p{sup 6}3l-3l{prime} transition arrays are revised. Theoretical level positions are given for all elements from Ca through Fe. The quality of the calculation is demonstrated on the beam-foil spectra of Ca.

  12. N=3-3 transitions of Ne-like ions in the iron group, especially Ca10+ and Ti12+

    NASA Astrophysics Data System (ADS)

    Ishikawa, Yasuyuki; Encarnación, Juan M. López; Träbert, Elmar

    2009-02-01

    The Ti XIII 2s22p53l-3l' and 2s2p63l-3l' transitions that have been discussed previously on the basis of beam-foil spectra and laser-produced plasmas in comparison to semi-empirically scaled computations have now been treated by accurate ab initio multireference Mø ller-Plesset calculations. While most 2s22p53l-3l' line identifications are supported by the new calculations, the 2s2p63l-3l' transition arrays are revised. Theoretical level positions are given for all elements from Ca through Fe. The quality of the calculation is demonstrated on beam-foil spectra of Ca.

  13. Transitions of Zn XXII, Zn XXIII, Zn XXIV, Ge XXIV, and Ge XXV observed in laser-produced plasmas

    NASA Technical Reports Server (NTRS)

    Behring, W. E.; Cohen, L.; Doschek, G. A.; Feldman, U.

    1976-01-01

    Wavelengths and wave numbers are presented for zinc lines in the F I, O I, and N I isoelectronic sequences as well as for germanium lines in the F I and O I sequences. The transitions are of the type 2s(2)2p(k)-2s2p(k+1), and the lines were observed near 100 A in the spectra of plasmas produced by focusing the pulse from a high-power glass laser on to solid targets of different elements and compounds. The results are compared with prediction based on extrapolations of semiempirical formulas derived by Edlen (1969). The wavelengths and wave numbers of some of the corresponding transitions in Cu XXI, Cu XXII, Cu XXIII, Ga XXIII, and Ga XXIV are interpolated with a probable wavelength accuracy of at least plus or minus 0.02 A.

  14. Transitions: A Personal Perspective.

    ERIC Educational Resources Information Center

    Wood, Ann Stace

    1995-01-01

    Distinguishes between unchosen transitions (children maturing and leaving, parents aging, companies downsizing) and chosen ones (moving, divorce, marriage, career changes). Describes the steps one goes through: uneasiness, renewed energy, complaining, exploration, partial transition, and the completed transition. (JOW)

  15. Topological Lifshitz transitions

    NASA Astrophysics Data System (ADS)

    Volovik, G. E.

    2017-01-01

    Different types of Lifshitz transitions are governed by topology in momentum space. They involve the topological transitions with the change of topology of Fermi surfaces, Weyl and Dirac points, nodal lines, and also the transitions between the fully gapped states.

  16. Transition to Adulthood

    MedlinePlus

    ... Centers Workspaces Workspaces Who Knows What? Survey Item Bank Search for: Transition to Adulthood Link-checked, June ... reading… Back to top IDEA’s Definition of Transition Services Any discussion of transition services must begin with ...

  17. VizieR Online Data Catalog: Energy levels & transition rates of O-like ions (Wang+, 2017)

    NASA Astrophysics Data System (ADS)

    Wang, K.; Jonsson, P.; Ekman, J.; Gaigalas, G.; Godefroid, M. R.; Si, R.; Chen, Z. B.; Li, S.; Chen, C. Y.; Yan, J.

    2017-06-01

    Employing two state-of-the-art methods, multiconfiguration Dirac-Hartree-Fock and second-order many-body perturbation theory, the excitation energies and lifetimes for the lowest 200 states of the 2s22p4, 2s2p5, 2p6, 2s22p33s, 2s22p33p, 2s22p33d, 2s2p43s, 2s2p43p, and 2s2p43d configurations, and multipole (electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2)) transition rates, line strengths, and oscillator strengths among these states are calculated for each O-like ion, from CrXVII to ZnXXIII. Our two data sets are compared with the National Institute of Standards and Technology and CHIANTI compiled values, and previous calculations. The data are accurate enough for identification and deblending of new emission lines from the Sun and other astrophysical sources. The amount of high-accuracy data is significantly increased for the n=3 states of several O-like ions of astrophysical interest, where experimental data are very scarce. (3 data files).

  18. Transition Probabilities for the 1815 and 3344 Å Forbidden Lines of NE III

    NASA Astrophysics Data System (ADS)

    Daw, Adrian; Parkinson, William H.; Smith, Peter L.; Calamai, Anthony G.

    2000-04-01

    We have measured the radiative lifetime of the 2s22p4 1S0 metastable level of Ne2+ (Ne III) to be 223+/-11 ms at the 90% confidence level by observing the photons emitted at 1815 Å by a decaying population of 1S0 Ne2+ ions produced and stored in a radio-frequency ion trap. This is the first lifetime measurement for an excited term of a ground configuration ion in the second row of the periodic table. The transition probabilities (A-values) for the forbidden transitions in the ground configurations of these ions are required for astrophysical line-ratio diagnostics. Using calculated branching ratios, we estimate that A(λ1815)=1.94+/-0.17 and A(λ3344)=2.55+/-0.19 s-1. Because these numbers have a sum with an experimentally determined uncertainty of 5%, they will provide more accurate results than the calculated A-values for determining electron temperature and density from astrophysical Ne III line ratios.

  19. Transition Probabilities for the 1815 and 3344 Å Forbidden Lines of Ne iii.

    PubMed

    Daw; Parkinson; Smith; Calamai

    2000-04-20

    We have measured the radiative lifetime of the 2s22p4 1S0 metastable level of Ne2+ (Ne iii) to be 223+/-11 ms at the 90% confidence level by observing the photons emitted at 1815 Å by a decaying population of 1S0 Ne2+ ions produced and stored in a radio-frequency ion trap. This is the first lifetime measurement for an excited term of a ground configuration ion in the second row of the periodic table. The transition probabilities (A-values) for the forbidden transitions in the ground configurations of these ions are required for astrophysical line-ratio diagnostics. Using calculated branching ratios, we estimate that A&parl0;lambda1815&parr0;=1.94+/-0.17 and A&parl0;lambda3344&parr0;=2.55+/-0.19 s-1. Because these numbers have a sum with an experimentally determined uncertainty of 5%, they will provide more accurate results than the calculated A-values for determining electron temperature and density from astrophysical Ne iii line ratios.

  20. Characterization of [3H]-(2S,2′R,3′R)-2-(2′,3′-dicarboxy- cyclopropyl)glycine ([3H]-DCG IV) binding to metabotropic mGlu2 receptor-transfected cell membranes

    PubMed Central

    Cartmell, Jayne; Adam, Geo; Chaboz, Sylvie; Henningsen, Robert; Kemp, John A; Klingelschmidt, Agnes; Metzler, Veit; Monsma, Frederick; Schaffhauser, Hervé; Wichmann, Jürgen; Mutel, Vincent

    1998-01-01

    The binding of the new selective group II metabotropic glutamate receptor radioligand, [3H]-(2S,2′R,3′R)-2-(2′,3′-dicarboxycyclopropyl)glycine ([3H]-DCG IV), was characterized in rat mGlu2 receptor-transfected CHO cell membranes. [3H]-DCG IV binding was pH-dependent, but was not sensitive to temperature. Saturation analysis showed the presence of a single binding site, with a Kd value of 160 nM and a Bmax value of 10 pmol mg−1 protein. Binding was not sensitive to Na+-dependent glutamate uptake blockers or Cl−-dependent glutamate binding inhibitors. Furthermore, up to concentrations of 1 mM, the glutamate ionotropic receptor agonists, N-methyl-D-aspartic acid (NMDA), (S)-α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) and kainate, did not affect [3H]-DCG IV binding. Of the compounds observed to inhibit [3H]-DCG IV binding, the most potent were the recently described selective group II agonist, (+)-2-aminobicyclo-[3.1.0]hexane-2,6-dicarboxylate (LY 354740; Ki value 16 nM) and antagonist, 2-amino-2-(2-carboxycyclopropan-1-yl)-3-(dibenzopyran-4-yl) propanoic acid (LY 341495; Ki value 19 nM). As expected, for a G-protein-coupled receptor, guanosine-5′-O-(3-thiotriphosphate) (GTPγS) inhibited [3H]-DCG IV binding in a concentration-dependent manner, with an IC50 value of 12 nM. A highly significant correlation was observed between the potencies of compounds able to inhibit [3H]-DCG IV binding and potencies obtained for agonist activity in a GTPγ35S binding functional assay. In addition, these studies identified a number of compounds with previously unknown activity at mGlu2 receptors, including L(+)-2-amino-3-phosphonopropionic acid (L-AP3), L(+)-2-amino-5-phosphonopentanoic acid (L-AP5), 3-((RS)-2-carboxypiperazin-4-yl)-propyl-1-phosphonic acid (R-CPP), N-acetyl-L-aspartyl-L-glutamic acid (NAAG) and (RS)-α-methylserine-O-phosphate (MSOP). PMID:9504391

  1. Tips for Transition

    ERIC Educational Resources Information Center

    Kellems, Ryan, Comp.; Morningstar, Mary E., Comp.

    2009-01-01

    The Tips for Transition contains 134 Transition Tips submitted from all over the country by practitioners. The purpose of the Tips was to identify grassroots transition practices being used by practitioners. Tips are categorized into the following domains: (1) Transition Planning; (2) Student Involvement; (3) Family Involvement; (4) Curriculum and…

  2. Quadrupole transitions revealed by Borrmann spectroscopy.

    PubMed

    Pettifer, Robert F; Collins, Stephen P; Laundy, David

    2008-07-10

    The Borrmann effect-a dramatic increase in transparency to X-ray beams-is observed when X-rays satisfying Bragg's law diffract through a perfect crystal. The minimization of absorption seen in the Borrmann effect has been explained by noting that the electric field of the X-ray beam approaches zero amplitude at the crystal planes, thus avoiding the atoms. Here we show experimentally that under conditions of absorption suppression, the weaker electric quadrupole absorption transitions are effectively enhanced to such a degree that they can dominate the absorption spectrum. This effect can be exploited as an atomic spectroscopy technique; we show that quadrupole transitions give rise to additional structure at the L(1), L(2) and L(3) absorption edges of gadolinium in gadolinium gallium garnet, which mark the onset of excitations from 2s, 2p(1/2) and 2p(3/2) atomic core levels, respectively. Although the Borrmann effect served to underpin the development of the theory of X-ray diffraction, this is potentially the most important experimental application of the phenomenon since its first observation seven decades ago. Identifying quadrupole features in X-ray absorption spectroscopy is central to the interpretation of 'pre-edge' spectra, which are often taken to be indicators of local symmetry, valence and atomic environment. Quadrupolar absorption isolates states of different symmetries to that of the dominant dipole spectrum, and typically reveals orbitals that dominate the electronic ground-state properties of lanthanides and 3d transition metals, including magnetism. Results from our Borrmann spectroscopy technique feed into contemporary discussions regarding resonant X-ray diffraction and the nature of pre-edge lines identified by inelastic X-ray scattering. Furthermore, because the Borrmann effect has been observed in photonic materials, it seems likely that the quadrupole enhancement reported here will play an important role in modern optics.

  3. Doppler spectroscopy of an ytterbium Bose-Einstein condensate on the clock transition

    NASA Astrophysics Data System (ADS)

    Dareau, A.; Scholl, M.; Beaufils, Q.; Döring, D.; Beugnon, J.; Gerbier, F.

    2015-02-01

    We describe Doppler spectroscopy of Bose-Einstein condensates of ytterbium atoms using a narrow optical transition. We address the optical clock transition around 578 nm between the 1S0 and the 3P0 states with a laser system locked on a high-finesse cavity. We show how the absolute frequency of the cavity modes can be determined within a few tens of kilohertz using high-resolution spectroscopy on molecular iodine. We show that optical spectra reflect the velocity distribution of expanding condensates in free fall or after release inside an optical waveguide. We demonstrate subkilohertz spectral linewidths, with long-term drifts of the resonance frequency well below 1 kHz/h. These results open the way to high-resolution spectroscopy of many-body systems.

  4. Magnetically Induced Optical Transparency on a Forbidden Transition in Strontium for Cavity-Enhanced Spectroscopy

    NASA Astrophysics Data System (ADS)

    Winchester, Matthew N.; Norcia, Matthew A.; Cline, Julia R. K.; Thompson, James K.

    2017-06-01

    In this Letter we realize a narrow spectroscopic feature using a technique that we refer to as magnetically induced optical transparency. A cold ensemble of 88Sr atoms interacts with a single mode of a high-finesse optical cavity via the 7.5 kHz linewidth, spin forbidden 1S0 to 3P1 transition. By applying a magnetic field that shifts two excited state Zeeman levels, we open a transmission window through the cavity where the collective vacuum Rabi splitting due to a single level would create destructive interference for probe transmission. The spectroscopic feature approaches the atomic transition linewidth, which is much narrower than the cavity linewidth, and is highly immune to the reference cavity length fluctuations that limit current state-of-the-art laser frequency stability.

  5. Partners in Transition: Preparing Transition Specialists.

    ERIC Educational Resources Information Center

    Sample, Pat; And Others

    Colorado rural special educators are experiencing tremendous challenges in providing mandated transition services to students with special needs. The School of Education and the Department of Occupational Therapy at Colorado State University have developed a program to create rural transition specialists through preservice and inservice training…

  6. Gas turbine combustor transition

    DOEpatents

    Coslow, B.J.; Whidden, G.L.

    1999-05-25

    A method is described for converting a steam cooled transition to an air cooled transition in a gas turbine having a compressor in fluid communication with a combustor, a turbine section in fluid communication with the combustor, the transition disposed in a combustor shell and having a cooling circuit connecting a steam outlet and a steam inlet and wherein hot gas flows from the combustor through the transition and to the turbine section, includes forming an air outlet in the transition in fluid communication with the cooling circuit and providing for an air inlet in the transition in fluid communication with the cooling circuit. 7 figs.

  7. Gas turbine combustor transition

    DOEpatents

    Coslow, Billy Joe; Whidden, Graydon Lane

    1999-01-01

    A method of converting a steam cooled transition to an air cooled transition in a gas turbine having a compressor in fluid communication with a combustor, a turbine section in fluid communication with the combustor, the transition disposed in a combustor shell and having a cooling circuit connecting a steam outlet and a steam inlet and wherein hot gas flows from the combustor through the transition and to the turbine section, includes forming an air outlet in the transition in fluid communication with the cooling circuit and providing for an air inlet in the transition in fluid communication with the cooling circuit.

  8. Experimental M1 Transition Rates of Coronal Lines from AR X, AR XIV, and AR XV

    NASA Astrophysics Data System (ADS)

    Träbert, E.; Beiersdorfer, P.; Utter, S. B.; Brown, G. V.; Chen, H.; Harris, C. L.; Neill, P. A.; Savin, D. W.; Smith, A. J.

    2000-09-01

    Transition probabilities of three magnetic dipole (M1) transitions in multiply charged ions of Ar have been measured using the Livermore electron-beam ion trap. Two of the transitions are in the ground configurations of Ar XIV (B-like) and Ar IX (F-like), and are associated with the coronal lines at 4412.4 and 5533.4 Å, respectively. The third is in the excited 2s2p configuration of Be-like Ar XV and produces the coronal line at 5943.73 Å. Our results for the three atomic level lifetimes are 9.32+/-0.12 ms for the Ar X 2s22p5 2Po1/2 level, 9.70+/-0.15 ms for the Ar XIV 2s22p 2Po3/2 level, and 15.0+/-0.8 ms for the Ar XV 2s2p 3Po2 level. These results differ significantly from earlier measurements and are the most accurate ones to date.

  9. Transition-metal-free oxidative carboazidation of acrylamides via cascade C-N and C-C bond-forming reactions.

    PubMed

    Qiu, Jun; Zhang, Ronghua

    2014-07-07

    A novel transition-metal-free oxidative carboazidation of acrylamides using inexpensive NaN3 and K2S2O8 was achieved, which not only provided an efficient method to prepare various N3-substituted oxindoles, but also represented a novel strategy for C-N and C-C bond formation via a free-radical cascade process. This transformation exhibits excellent functional group tolerance, affording the desired oxindoles in good to excellent yields.

  10. Excitation rates for transitions in Ca XV

    NASA Astrophysics Data System (ADS)

    Aggarwal, K. M.; Keenan, F. P.

    2003-08-01

    Collision strengths for transitions among the energetically lowest 46 fine-structure levels belonging to the (1s2) 2s22p2, 2s2p3, 2p4, and 2s22p3l configurations of Ca XV are computed, over a wide electron energy range below 300 Ryd, using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (\\cite{Norrington03}). Resonances in the threshold region have been resolved in a fine energy mesh, and excitation rates are determined over a wide electron temperature range below 107 K. The results are compared with those available in the literature, and the accuracy of the data is assessed. Table \\ref{tab3} is also (and Table 4 only) available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/407/769

  11. Hyperfine structures, isotope shifts, and transition rates of C II, N III, and O IV from relativistic configuration interaction calculations

    SciTech Connect

    Joensson, Per Li Jiguang; Gaigalas, Gediminas; Dong Chenzhong

    2010-05-15

    Energy levels, specific mass shift parameters, hyperfine interaction constants, Landeg{sub J} factors, and transition probabilities between computed levels are reported for C II, N III, and O IV. Results include levels belonging to 2s{sup 2}2p,2s2p{sup 2},2p{sup 3},2s{sup 2}3s,2s{sup 2}3p,2s{sup 2}3d,2s2p3s and, in the case of C II, the 2s{sup 2}4s and 2s{sup 2}4p configurations. Wavefunctions were determined using the multiconfiguration Dirac-Hartree-Fock method and account for valence, core-valence, and core-core correlation effects.

  12. Conceptualizing Transitions to Adulthood

    ERIC Educational Resources Information Center

    Wyn, Johanna

    2014-01-01

    This chapter provides an overview of theories of the transition to young adulthood. It sets out the argument for conceptual renewal and discusses some implications of new patterns of transition for adult education.

  13. Conceptualizing Transitions to Adulthood

    ERIC Educational Resources Information Center

    Wyn, Johanna

    2014-01-01

    This chapter provides an overview of theories of the transition to young adulthood. It sets out the argument for conceptual renewal and discusses some implications of new patterns of transition for adult education.

  14. The Managerial Transition.

    ERIC Educational Resources Information Center

    Kneeland, Steven J.

    1980-01-01

    Having identified the problem of managerial transition in a previous article (CE 510 277), the author outlines a strategy for change which includes performance appraisal, definition of the management structure, and counselling for the individual in transition. (SK)

  15. Repumping and spectroscopy of laser-cooled Sr atoms using the (5s5p)3P2-(5s4d)3D2 transition

    NASA Astrophysics Data System (ADS)

    Mickelson, P. G.; Martinez de Escobar, Y. N.; Anzel, P.; De Salvo, B. J.; Nagel, S. B.; Traverso, A. J.; Yan, M.; Killian, T. C.

    2009-12-01

    We describe repumping and spectroscopy of laser-cooled strontium (Sr) atoms using the (5s5p)3P2-(5s4d)3D2 transition. Atom number in a magneto-optical trap is enhanced by driving this transition because Sr atoms that have decayed into the (5s5p)3P2 dark state are repumped back into the (5s2)1S0 ground state. Spectroscopy of 84Sr, 86Sr, 87Sr and 88Sr improves the value of the (5s5p)3P2-(5s4d)3D2 transition frequency and determines the isotope shifts for the transition accurately enough to guide laser-cooling experiments with less abundant isotopes.

  16. Transition in Turbines

    NASA Technical Reports Server (NTRS)

    1985-01-01

    The concept of a large disturbance bypass mechanism for the initiation of transition is reviewed and studied. This mechanism, or some manifestation thereof, is suspected to be at work in the boundary layers present in a turbine flow passage. Discussion is presented on four relevant subtopics: (1) the effect of upstream disturbances and wakes on transition; (2) transition prediction models, code development, and verification; (3) transition and turbulence measurement techniques; and (4) the hydrodynamic condition of low Reynolds number boundary layers.

  17. Cosmological phase transitions

    SciTech Connect

    Kolb, E.W. |

    1993-10-01

    If modern ideas about the role of spontaneous symmetry breaking in fundamental physics are correct, then the Universe should have undergone a series of phase transitions early in its history. The study of cosmological phase transitions has become an important aspect of early-Universe cosmology. In this lecture I review some very recent work on three aspects of phase transitions: the electroweak transition, texture, and axions.

  18. Transition. Feature Issue.

    ERIC Educational Resources Information Center

    Wallace, Teri, Ed.; And Others

    1992-01-01

    This feature issue of a quarterly bulletin on community integration addresses the topic of transition services for preparing youth with disabilities for adult community living. It contains articles with the following titles and authors: "Transition: The Next Five Years" (David R. Johnson and others); "Transition Policy in the 1990s:…

  19. Transition: Preschool to Kindergarten

    ERIC Educational Resources Information Center

    Arizona Department of Education, 2007

    2007-01-01

    Transition is movement or change without interruption. It should be a smooth flow from one place or condition to another. While the transition plan for a student receiving special education services is designed to prepare him or her for life after high school, transition can start when a child enters preschool. The second of six distinct stages of…

  20. Extended Calculations of Spectroscopic Data: Energy Levels, Lifetimes, and Transition Rates for O-like Ions from Cr xvii to Zn xxiii

    NASA Astrophysics Data System (ADS)

    Wang, K.; Jönsson, P.; Ekman, J.; Gaigalas, G.; Godefroid, M. R.; Si, R.; Chen, Z. B.; Li, S.; Chen, C. Y.; Yan, J.

    2017-04-01

    Employing two state-of-the-art methods, multiconfiguration Dirac-Hartree-Fock and second-order many-body perturbation theory, the excitation energies and lifetimes for the lowest 200 states of the 2{s}22{p}4, 2s2{p}5, 2{p}6, 2{s}22{p}33s, 2{s}22{p}33p, 2{s}22{p}33d, 2s2{p}43s, 2s2{p}43p, and 2s2{p}43d configurations, and multipole (electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2)) transition rates, line strengths, and oscillator strengths among these states are calculated for each O-like ion, from Cr xvii to Zn xxiii. Our two data sets are compared with the National Institute of Standards and Technology and CHIANTI compiled values, and previous calculations. The data are accurate enough for identification and deblending of new emission lines from the Sun and other astrophysical sources. The amount of high-accuracy data is significantly increased for the n = 3 states of several O-like ions of astrophysical interest, where experimental data are very scarce.

  1. Transit pricing and performance

    SciTech Connect

    Pickerell, D.H.; Abkowitz, M.; Tozzi, J.; McCord, M.R.; Cheng, L.H.

    1986-01-01

    The 9 papers in the report deal with the following areas: Federal operating assistance for urban mass transit; a decade of experience; transit route characteristics and headway-based reliability control; day-of-week and part-of-month variation in bus ridership; job satisfaction and transit operator recognition programs; results of a survey of muni operators; bus marketing costs: the experience of 18 section 15 reporters from 1981 to 1983; prospects for differential transit pricing in the United States; an initial analysis of total factor productivity for public-transit coordination of transportation resources: the Georgia experience; absenteeism, accidents, and attrition: part-time versus full-time bus drivers.

  2. Gifts from Exoplanetary Transits

    NASA Astrophysics Data System (ADS)

    Narita, Norio

    2009-08-01

    The discovery of transiting extrasolar planets has enabled us to do a number of interesting studies. Transit photometry reveals the radius and the orbital inclination of transiting planets, which allows us to learn the true mass and density of the respective planets by the combined information from radial velocity (RV) measurements. In addition, follow-up observations of transiting planets, looking at such things as secondary eclipses, transit timing variations, transmission spectroscopy, and the Rossiter-McLaughlin effect, provide us information about their dayside temperatures, unseen bodies in systems, planetary atmospheres, and the obliquity of planetary orbits. Such observational information, which will provide us a greater understanding of extrasolar planets, is available only for transiting planets. Here, I briefly summarize what we can learn from transiting planets and introduce previous studies.

  3. Quantum phase transitions

    NASA Astrophysics Data System (ADS)

    Vojta, Matthias

    2003-12-01

    In recent years, quantum phase transitions have attracted the interest of both theorists and experimentalists in condensed matter physics. These transitions, which are accessed at zero temperature by variation of a non-thermal control parameter, can influence the behaviour of electronic systems over a wide range of the phase diagram. Quantum phase transitions occur as a result of competing ground state phases. The cuprate superconductors which can be tuned from a Mott insulating to a d-wave superconducting phase by carrier doping are a paradigmatic example. This review introduces important concepts of phase transitions and discusses the interplay of quantum and classical fluctuations near criticality. The main part of the article is devoted to bulk quantum phase transitions in condensed matter systems. Several classes of transitions will be briefly reviewed, pointing out, e.g., conceptual differences between ordering transitions in metallic and insulating systems. An interesting separate class of transitions is boundary phase transitions where only degrees of freedom of a subsystem become critical; this will be illustrated in a few examples. The article is aimed at bridging the gap between high-level theoretical presentations and research papers specialized in certain classes of materials. It will give an overview on a variety of different quantum transitions, critically discuss open theoretical questions, and frequently make contact with recent experiments in condensed matter physics.

  4. Gravitationally induced quantum transitions

    NASA Astrophysics Data System (ADS)

    Landry, A.; Paranjape, M. B.

    2016-06-01

    In this paper, we calculate the probability for resonantly inducing transitions in quantum states due to time-dependent gravitational perturbations. Contrary to common wisdom, the probability of inducing transitions is not infinitesimally small. We consider a system of ultracold neutrons, which are organized according to the energy levels of the Schrödinger equation in the presence of the Earth's gravitational field. Transitions between energy levels are induced by an oscillating driving force of frequency ω . The driving force is created by oscillating a macroscopic mass in the neighborhood of the system of neutrons. The neutron lifetime is approximately 880 sec while the probability of transitions increases as t2. Hence, the optimal strategy is to drive the system for two lifetimes. The transition amplitude then is of the order of 1.06 ×10-5, and hence with a million ultracold neutrons, one should be able to observe transitions.

  5. Berylliumlike Mo xxxix and lithiumlike Mo xl observed in the Joint European Torus tokamak

    NASA Astrophysics Data System (ADS)

    Denne, B.; Magyar, G.; Jacquinot, J.

    1989-10-01

    The resonance lines of berylliumlike and lithiumlike molybdenum have been observed in high-temperature Joint European Torus tokamak discharges into which molybdenum was introduced using the laser blow-off method. The measured transition wavelengths are 2s2 1S0-2s2p 1P1 49.904+/-0.03 Å, 2s2 1S0-2s2p 3P1 137.787+/-0.03 Å for Mo xxxix, and 2s 2S1/2-2p 2P1/2 143.998+/-0.02 Å, 2s 2S1/2-2p 2P3/2 58.499+/-0.02 Å for Mo xl. For the berylliumlike ion the results are compared with the semiempirical predictions by Edlén [Phys. Scr. 28, 51 (1983)], while the results for lithiumlike Mo are compared with the calculations by Johnson, Blundell, and Sapirstein [Phys. Rev. A 37, 2764 (1988)].

  6. Transition Region Models

    NASA Astrophysics Data System (ADS)

    Hansteen, V.; Murdin, P.

    2000-11-01

    The SOLAR TRANSITION REGION comprises the PLASMA between the CHROMOSPHERE and the CORONA. In both of these regions the temperature is fairly uniform. The transition region, by contrast, is believed to be characterized by a very steep temperature rise from a chromospheric temperature of slightly less than 104 K to coronal temperatures on the order of 106 K. The goal of modeling the transition regi...

  7. Effective collision strengths for fine-structure transitions in Si VII

    SciTech Connect

    Sossah, A. M.; Tayal, S. S.

    2014-05-20

    The effective collision strengths for electron-impact excitation of fine-structure transitions in Si VII are calculated as a function of electron temperature in the range 5000-2,000,000 K. The B-spline Breit-Pauli R-matrix method has been used to calculate collision strengths by electron impact. The target wave functions have been obtained using the multi-configuration Hartree-Fock method with term-dependent non-orthogonal orbitals. The 92 fine-structure levels belonging to the 46 LS states of 2s {sup 2}2p {sup 4}, 2s2p {sup 5}, 2p {sup 6}, 2s {sup 2}2p {sup 3}3s, 2s {sup 2}2p {sup 3}3p, 2s {sup 2}2p {sup 3}3d, and 2s2p {sup 4}3s configurations are included in our calculations of oscillator strengths and collision strengths. There are 4186 possible fine-structure allowed and forbidden transitions among the 92 levels. The present excitation energies, oscillator strengths, and collision strengths have been compared with previous theoretical results and available experimental data. Generally, a good agreement is found with the 6 LS-state close-coupling approximation results of Butler and Zeippen and the 44 LS-state distorted wave calculation of Bhatia and Landi.

  8. Photochemistry of the water dimer: time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection.

    PubMed

    Chmura, Bartosz; Lan, Zhenggang; Rode, Michal F; Sobolewski, Andrzej L

    2009-10-07

    The photoinduced electron-driven proton-transfer dynamics of the water-dimer system has been investigated by time-dependent quantum wave-packet calculations. The main nuclear degrees of freedom driving the system from the Frank-Condon region to the S(0)-S(1) conical intersection are the distance between the oxygen atoms and the displacement of the hydrogen atom from the oxygen-oxygen bond center. Two important coupling modes have been investigated: Rotation of the H-donating water dangling proton and asymmetric stretching of the H-accepting water dangling protons' O(a)H bonds. Potential energy surfaces of the ground and lowest excited electronic states have been constructed on the basis of ab initio calculations. The time-dependent quantum wave-packet propagation has been employed within the (2 + 1)-dimensional systems for the description of the nonadiabatic dynamics of water dimer. The effects of the initial vibrational state of the system on the electronic population transfer and dissociation dynamics are presented. To approximate the photochemical behavior of water dimer in bulk water, we add a boundary condition into the (2 + 1)-dimensional systems to simulate the existence of water bulk. The results provide insight into the mechanisms of excited state deactivation of the water-dimer system in gas phase and in bulk water through the electron-driven proton-transfer process.

  9. Transitive and Pseudo-Transitive Inferences

    ERIC Educational Resources Information Center

    Goodwin, Geoffrey P.; Johnson-Laird, P. N.

    2008-01-01

    Given that A is longer than B, and that B is longer than C, even 5-year-old children can infer that A is longer than C. Theories of reasoning based on formal rules of inference invoke simple axioms ("meaning postulates") to capture such transitive inferences. An alternative theory proposes instead that reasoners construct mental models of the…

  10. Transition to Old Age (Transition to Retirement).

    ERIC Educational Resources Information Center

    Bergman, Simon

    Several conceptualizations and definitions of retirement have been proposed. One of them--the three-stage transition process--can be illustrated from studies in Israel: (1) leaving the old role; (2) going through the act of formal separation; and (3) adjusting to the new situation and role. Today's higher rate of survival into later years means…

  11. [From epidemiological transition to health transition].

    PubMed

    Meslé, F; Vallin, J

    2007-12-01

    The "Epidemiological Transition" concept proposed by Abdel Omran in 1971 was the first theory attempting to explain the extraordinary progess that industrialized countries have achieved in health since the 18th century. Within the broader framework of the demographic transition, an important implication of this concept was that life expectancy in modern societies would converge toward limits determined by the new epidemiological conditions. In the ensuing decades, however the convergence process appears to have stopped as a result of a number of setbacks including the health crisis in Eastern Europe and AIDS in Africa. These setbacks do not fundamentally contradict the theory. A much greater contradiction was the unexpected dramatic decrease in cardiovascular disease that began as early as the 70s and had a major positive impact on life expectancy. Based on the concept of "Health Transition" described by Julio Frenk et al., we propose a complete revision of the health implications of the demographic transition based the idea of successive cycles of divergences/convergences induced by the appearance and generalization of major breakthroughs in health technologies and strategies. Three such cycles can be clearly identified on an international level corresponding to control of infectious then cardiovascular diseases, and perhaps most recently to the initial successes achieved in the field of ageing.

  12. Laser spectroscopy on forbidden transitions in trapped highly charged Ar(13+) ions.

    PubMed

    Mäckel, V; Klawitter, R; Brenner, G; Crespo López-Urrutia, J R; Ullrich, J

    2011-09-30

    We demonstrate resonant fluorescence laser spectroscopy in highly charged ions (HCI) stored in an electron beam ion trap by investigating the dipole-forbidden 1s(2)2s(2)2p (2)P(3/2)-(2)P(1/2) transition in boronlike Ar(13+) ions. Forced evaporative cooling yielded a high resolving power, resulting in an accurate wavelength determination to λ=441.255 68(26)  nm. By applying stronger cooling and two-photon excitation, new optical frequency standards based upon ultrastable transitions in such HCI could be realized in the future, e.g., for the search of time variations of the fine-structure constant.

  13. Issues in Transition.

    ERIC Educational Resources Information Center

    McNair, Jeff, Ed.; Kronick, Nancy, Ed.

    Six papers address issues in the transition of students with disabilities into the adult world of work. In "Workplace Support," Jeff McNair defines "support," differentiates types of support, and considers various foci of intervention. The second paper titled, "Cross-Cultural Transition: An Exigent Topic for Study" by Nancy Kronick, reviews…

  14. School Transition Bibliography.

    ERIC Educational Resources Information Center

    Pautler, Albert

    This bibliography on school transition includes 240 entries of books, journal articles, papers, reports, bibliographies, and dissertations. These entries deal with transitions of the following populations: adult learners, youth, Plains Indian women, high school students, people with learning disabilities, disadvantaged youth, high school…

  15. Transition Coordinators: Define Yourselves.

    ERIC Educational Resources Information Center

    Asselin, Susan B.; Todd-Allen, Mary; deFur, Sharon

    1998-01-01

    Describes a technique that was used successfully to identify the changing roles and responsibilities of special educators as transition coordinators. The Developing a Curriculum (DACUM) model uses people who are currently working in the occupation to define job responsibilities. The duties of a transition coordinator are identified. (CR)

  16. Good Transitions = Great Starts!

    ERIC Educational Resources Information Center

    Our Children: The National PTA Magazine, 2012

    2012-01-01

    The smooth transition of outgoing and incoming board members and officers is of vital importance and can determine the PTA's success for years to come. The transition process is the responsibility of both incoming and outgoing officers and board members. It gives closure to those leaving their positions and allows those coming in to be properly…

  17. Transitivity of Preferences

    ERIC Educational Resources Information Center

    Regenwetter, Michel; Dana, Jason; Davis-Stober, Clintin P.

    2011-01-01

    Transitivity of preferences is a fundamental principle shared by most major contemporary rational, prescriptive, and descriptive models of decision making. To have transitive preferences, a person, group, or society that prefers choice option "x" to "y" and "y" to "z" must prefer "x" to…

  18. Matter in transition

    SciTech Connect

    Anderson, Lara B.; Gray, James; Raghuram, Nikhil; Taylor, Washington

    2016-04-13

    In this study, we explore a novel type of transition in certain 6D and 4D quantum field theories, in which the matter content of the theory changes while the gauge group and other parts of the spectrum remain invariant. Such transitions can occur, for example, for SU(6) and SU(7) gauge groups, where matter fields in a three-index antisymmetric representation and the fundamental representation are exchanged in the transition for matter in the two-index antisymmetric representation. These matter transitions are realized by passing through superconformal theories at the transition point. We explore these transitions in dual F-theory and heterotic descriptions, where a number of novel features arise. For example, in the heterotic description the relevant 6D SU(7) theories are described by bundles on K3 surfaces where the geometry of the K3 is constrained in addition to the bundle structure. On the F-theory side, non-standard representations such as the three-index antisymmetric representation of SU(N) require Weierstrass models that cannot be realized from the standard SU(N) Tate form. We also briefly describe some other situations, with groups such as Sp(3), SO(12), and SU(3), where analogous matter transitions can occur between different representations. For SU(3), in particular, we find a matter transition between adjoint matter and matter in the symmetric representation, giving an explicit Weierstrass model for the F-theory description of the symmetric representation that complements another recent analogous construction.

  19. Seamless Transition for All

    ERIC Educational Resources Information Center

    Test, David W.

    2008-01-01

    Postschool outcomes for students with disabilities have been dismal for quite some time now. Although recent data from the National Longitudinal Transition Study 2 indicate some improvement, students with severe intellectual disabilities continue to transition into segregated employment at unacceptable rates in spite of a multitude of studies,…

  20. Expanding Views on Transition.

    ERIC Educational Resources Information Center

    Repetto, Jeanne B.; Correa, Vivian I.

    1996-01-01

    This position paper proposes an expanded definition of transition, based on common components of early childhood and secondary perspectives. It advocates for a seamless model of transition service delivery for students with disabilities, including program planning, from birth through age 21. The model addresses curriculum, location of services,…

  1. Transition to Living.

    ERIC Educational Resources Information Center

    Repetto, Jeanne B.

    2003-01-01

    Discussion of transition for students with disabilities emphasizes transition skills needed for life beyond work. The importance of assisting students in planning for their life roles as workers, family members, friends, consumers, and community members is discussed. Suggestions are offered to better prepare students for all their life roles by…

  2. Transitioning between Clerkship Directors

    ERIC Educational Resources Information Center

    Soltys, Stephen M.; Pary, Robert J.; Robinson, Stephen W.; Markwell, Stephen J.

    2011-01-01

    Objective: The authors report on succession-planning for mid-level academic positions. Method: The authors describe the process of succession-planning between clerkship directors and the smooth transition resulting in one case. Results: Gradually transitioning allowed a new faculty person to assume the clerkship-director position with minimal…

  3. Modeling the transition region

    NASA Astrophysics Data System (ADS)

    Singer, Bart A.

    1994-04-01

    The calculation of engineering flows undergoing laminar-turbulent transition presents special problems. Mean-flow quantities obey neither the fully laminar nor the fully turbulent correlations. In addition, local maxima in skin friction, wall temperature, and heat transfer often occur near the end of the transition region. Traditionally, modeling this region has been important for the design of turbine blades, where the transition region is long in relation to the chord length of the blade. More recently, the need for better transition-region models has been recognized by designers of hypersonic vehicles where the high Mach number, the low Reynolds number, and the low-disturbance flight environment emphasize the importance of the transition region. Needless to say, a model that might work well for the transitional flows typically found in gas turbines will not necessarily work well for the external surface of a hypersonic vehicle. In Section 2 of this report, some of the important flow features that control the transition region will be discussed. In Section 3, different approaches to the modeling problem will be summarized and cataloged. Fully turbulent flow models will be discussed in detail in Section 4; models specifically designed for transitional flow, in Section 5; and the evaluation of models, in Section 6.

  4. Outplacement as Transition Counseling.

    ERIC Educational Resources Information Center

    Mirabile, Richard J.

    1984-01-01

    The author discusses five predictable stages of development in transition counseling. They include comfort (reassurances about self-worth and identity); reflection (exploration and understanding); clarification (with respect to career and self); direction (exploring possible life/career directions); and perspective shift (putting the transition in…

  5. Transitions in Spousal Caregiving.

    ERIC Educational Resources Information Center

    Burton, Lynda C.; Zdaniuk, Bozena; Schulz, Richard; Jackson, Sharon; Hirsch, Calvin

    2003-01-01

    Describes transitions over 5 years among community-dwelling elderly spouses into and within caregiving roles and associated health outcomes. The trajectory of health outcomes associated with caregiving was generally downward. Those who transitioned to heavy caregiving had more symptoms of depression, and poorer self-reported health and health…

  6. Transitivity of Preferences

    ERIC Educational Resources Information Center

    Regenwetter, Michel; Dana, Jason; Davis-Stober, Clintin P.

    2011-01-01

    Transitivity of preferences is a fundamental principle shared by most major contemporary rational, prescriptive, and descriptive models of decision making. To have transitive preferences, a person, group, or society that prefers choice option "x" to "y" and "y" to "z" must prefer "x" to…

  7. Transitioning between Clerkship Directors

    ERIC Educational Resources Information Center

    Soltys, Stephen M.; Pary, Robert J.; Robinson, Stephen W.; Markwell, Stephen J.

    2011-01-01

    Objective: The authors report on succession-planning for mid-level academic positions. Method: The authors describe the process of succession-planning between clerkship directors and the smooth transition resulting in one case. Results: Gradually transitioning allowed a new faculty person to assume the clerkship-director position with minimal…

  8. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    The planet Mercury is seen in silhouette, lower center of image, as it transits across the face of the sun, Monday, May 9, 2016, as viewed from Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  9. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    The planet Mercury is seen in silhouette, lower third of image, as it transits across the face of the sun Monday, May 9, 2016, as viewed from Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  10. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    The planet Mercury is seen in silhouette, lower left of image, as it transits across the face of the sun, Monday, May 9, 2016, as viewed from Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  11. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    The planet Mercury is seen in silhouette, lower left, as it transits across the face of the sun Monday, May 9, 2016, as viewed from Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  12. Observation of Upsilon(2S)-->etaUpsilon(1S) and search for related transitions.

    PubMed

    He, Q; Insler, J; Muramatsu, H; Park, C S; Thorndike, E H; Yang, F; Artuso, M; Blusk, S; Khalil, S; Li, J; Mountain, R; Nisar, S; Randrianarivony, K; Sultana, N; Skwarnicki, T; Stone, S; Wang, J C; Zhang, L M; Bonvicini, G; Cinabro, D; Dubrovin, M; Lincoln, A; Naik, P; Rademacker, J; Asner, D M; Edwards, K W; Reed, J; Briere, R A; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E; Rosner, J L; Alexander, J P; Cassel, D G; Duboscq, J E; Ehrlich, R; Fields, L; Galik, R S; Gibbons, L; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Hunt, J M; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Ledoux, J; Mahlke-Krüger, H; Mohapatra, D; Onyisi, P U E; Patterson, J R; Peterson, D; Riley, D; Ryd, A; Sadoff, A J; Shi, X; Stroiney, S; Sun, W M; Wilksen, T; Athar, S B; Patel, R; Yelton, J; Rubin, P; Eisenstein, B I; Karliner, I; Mehrabyan, S; Lowrey, N; Selen, M; White, E J; Wiss, J; Mitchell, R E; Shepherd, M R; Besson, D; Pedlar, T K; Xavier, J V; Cronin-Hennessy, D; Gao, K Y; Hietala, J; Kubota, Y; Klein, T; Lang, B W; Poling, R; Scott, A W; Zweber, P; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Libby, J; Martin, L; Powell, A; Wilkinson, G; Ecklund, K M; Love, W; Savinov, V; Mendez, H; Ge, J Y; Miller, D H; Shipsey, I P J; Xin, B; Adams, G S; Anderson, M; Cummings, J P; Danko, I; Hu, D; Moziak, B; Napolitano, J

    2008-11-07

    We report the first observation of Upsilon(2S)-->etaUpsilon(1S), with a branching fraction B=(2.1(-0.6)+0.7(stat)+/-0.3(syst)) x 10(-4) and a statistical significance 5.3sigma. Data were acquired with the CLEO III detector at the CESR e+e(-) symmetric collider. This is the first process observed involving a b-quark spin flip. For related transitions, 90% confidence limits in units of 10(-4) are B(Upsilon(2S)-->pi0Upsilon(1S)) < 1.8, B(Upsilon(3S)-->etaUpsilon(1S)) < 1.8, B(Upsilon(3S)-->pi0Upsilon(1S)) < 0.7, and B(Upsilon(3S)-->pi0Upsilon(2S)) < 5.1.

  13. Transition Implementation Guide. Instructor Materials.

    ERIC Educational Resources Information Center

    Boyer-Stephens, Arden, Ed.

    This transition model, called Guiding Education toward Adult Roles for Success (GEARS), provides a comprehensive framework from which transition services and programs can evolve. Three components of transition services are considered: transition partners, the transition process, and adult outcomes. After an introduction, the report's second…

  14. Predictability of critical transitions

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaozhu; Kuehn, Christian; Hallerberg, Sarah

    2015-11-01

    Critical transitions in multistable systems have been discussed as models for a variety of phenomena ranging from the extinctions of species to socioeconomic changes and climate transitions between ice ages and warm ages. From bifurcation theory we can expect certain critical transitions to be preceded by a decreased recovery from external perturbations. The consequences of this critical slowing down have been observed as an increase in variance and autocorrelation prior to the transition. However, especially in the presence of noise, it is not clear whether these changes in observation variables are statistically relevant such that they could be used as indicators for critical transitions. In this contribution we investigate the predictability of critical transitions in conceptual models. We study the quadratic integrate-and-fire model and the van der Pol model under the influence of external noise. We focus especially on the statistical analysis of the success of predictions and the overall predictability of the system. The performance of different indicator variables turns out to be dependent on the specific model under study and the conditions of accessing it. Furthermore, we study the influence of the magnitude of transitions on the predictive performance.

  15. Extrasolar Planetary Transits

    NASA Astrophysics Data System (ADS)

    Cameron, Andrew Collier

    An extrasolar planet will transit the visible hemisphere of its host star if its orbital plane lies sufficiently close to the observer's line of sight. The resulting periodic dips in stellar flux reveal key system parameters, including the density of the host star and, if radial-velocity observations are available, the surface gravitational acceleration of the planet. In this chapter I present the essential methodology for modelling the time-dependent flux variation during a transit, and its use in determining the posterior probability distribution for the physical parameters of the system. Large-scale searches for transiting systems are an efficient way of discovering planets whose bulk densities, and hence compositions, can be accessed if their masses can also be determined. I present algorithms for detrending large ensembles of light curves, for searching for transit-like signals among them. I also discuss methods for identifying diluted stellar eclipsing binaries mimicking planetary transit signals, and validation of transit candidates too faint for radial-velocity follow-up. I review the use of time-resolved spectrophotometry and high-resolution spectroscopy during transits to identify the molecular constituents of exoplanetary atmospheres.

  16. Milestoning with transition memory

    NASA Astrophysics Data System (ADS)

    Hawk, Alexander T.; Makarov, Dmitrii E.

    2011-12-01

    Milestoning is a method used to calculate the kinetics and thermodynamics of molecular processes occurring on time scales that are not accessible to brute force molecular dynamics (MD). In milestoning, the conformation space of the system is sectioned by hypersurfaces (milestones), an ensemble of trajectories is initialized on each milestone, and MD simulations are performed to calculate transitions between milestones. The transition probabilities and transition time distributions are then used to model the dynamics of the system with a Markov renewal process, wherein a long trajectory of the system is approximated as a succession of independent transitions between milestones. This approximation is justified if the transition probabilities and transition times are statistically independent. In practice, this amounts to a requirement that milestones are spaced such that trajectories lose position and velocity memory between subsequent transitions. Unfortunately, limiting the number of milestones limits both the resolution at which a system's properties can be analyzed, and the computational speedup achieved by the method. We propose a generalized milestoning procedure, milestoning with transition memory (MTM), which accounts for memory of previous transitions made by the system. When a reaction coordinate is used to define the milestones, the MTM procedure can be carried out at no significant additional expense as compared to conventional milestoning. To test MTM, we have applied its version that allows for the memory of the previous step to the toy model of a polymer chain undergoing Langevin dynamics in solution. We have computed the mean first passage time for the chain to attain a cyclic conformation and found that the number of milestones that can be used, without incurring significant errors in the first passage time is at least 8 times that permitted by conventional milestoning. We further demonstrate that, unlike conventional milestoning, MTM permits

  17. Variational Transition State Theory

    SciTech Connect

    Truhlar, Donald G.

    2016-09-29

    This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.

  18. Transition nozzle combustion system

    DOEpatents

    Kim, Won-Wook; McMahan, Kevin Weston; Maldonado, Jaime Javier

    2016-11-29

    The present application provides a combustion system for use with a cooling flow. The combustion system may include a head end, an aft end, a transition nozzle extending from the head end to the aft end, and an impingement sleeve surrounding the transition nozzle. The impingement sleeve may define a first cavity in communication with the head end for a first portion of the cooling flow and a second cavity in communication with the aft end for a second portion of the cooling flow. The transition nozzle may include a number of cooling holes thereon in communication with the second portion of the cooling flow.

  19. Holographic magnetic phase transition

    SciTech Connect

    Lifschytz, Gilad; Lippert, Matthew

    2009-09-15

    We study four-dimensional interacting fermions in a strong magnetic field, using the holographic Sakai-Sugimoto model of intersecting D4- and D8-branes in the deconfined, chiral-symmetric parallel phase. We find that as the magnetic field is varied, while staying in the parallel phase, the fermions exhibit a first-order phase transition in which their magnetization jumps discontinuously. Properties of this transition are consistent with a picture in which some of the fermions jump to the lowest Landau level. Similarities to known magnetic phase transitions are discussed.

  20. Transit Timing Variations

    NASA Image and Video Library

    The animation shows the difference between planet transit timing of single and multiple planet system. In tightly packed planetary systems, the gravitational pull of the planets among themselves ca...

  1. Oligocyclopentadienyl transition metal complexes

    SciTech Connect

    de Azevedo, Cristina G.; Vollhardt, K. Peter C.

    2002-01-18

    Synthesis, characterization, and reactivity studies of oligocyclopentadienyl transition metal complexes, namely those of fulvalene, tercyclopentadienyl, quatercyclopentadienyl, and pentacyclopentadienyl(cyclopentadienyl) are the subject of this account. Thermal-, photo-, and redox chemistries of homo- and heteropolynuclear complexes are described.

  2. Coping with Transitions.

    ERIC Educational Resources Information Center

    Bendersky, Nora; And Others

    1984-01-01

    Describes a workshop for nine South American students at the Hebrew University of Jerusalem. The two-day session focussed on exploring coping behaviors that could help students adjust to transitions. (JAC)

  3. Coping with Transitions.

    ERIC Educational Resources Information Center

    Bendersky, Nora; And Others

    1984-01-01

    Describes a workshop for nine South American students at the Hebrew University of Jerusalem. The two-day session focussed on exploring coping behaviors that could help students adjust to transitions. (JAC)

  4. Superconductivity in transition metals.

    PubMed

    Slocombe, Daniel R; Kuznetsov, Vladimir L; Grochala, Wojciech; Williams, Robert J P; Edwards, Peter P

    2015-03-13

    A qualitative account of the occurrence and magnitude of superconductivity in the transition metals is presented, with a primary emphasis on elements of the first row. Correlations of the important parameters of the Bardeen-Cooper-Schrieffer theory of superconductivity are highlighted with respect to the number of d-shell electrons per atom of the transition elements. The relation between the systematics of superconductivity in the transition metals and the periodic table high-lights the importance of short-range or chemical bonding on the remarkable natural phenomenon of superconductivity in the chemical elements. A relationship between superconductivity and lattice instability appears naturally as a balance and competition between localized covalent bonding and so-called broken covalency, which favours d-electron delocalization and superconductivity. In this manner, the systematics of superconductivity and various other physical properties of the transition elements are related and unified. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  5. Alternative fuel transit buses

    SciTech Connect

    Motta, R.; Norton, P.; Kelly, K.

    1996-10-01

    The National Renewable Energy Laboratory (NREL) is a U.S. Department of Energy (DOE) national laboratory; this project was funded by DOE. One of NREL`s missions is to objectively evaluate the performance, emissions, and operating costs of alternative fuel vehicles so fleet managers can make informed decisions when purchasing them. Alternative fuels have made greater inroads into the transit bus market than into any other. Each year, the American Public Transit Association (APTA) surveys its members on their inventory and buying plans. The latest APTA data show that about 4% of the 50,000 transit buses in its survey run on an alternative fuel. Furthermore, 1 in 5 of the new transit buses that members have on order are alternative fuel buses. This program was designed to comprehensively and objectively evaluate the alternative fuels in use in the industry.

  6. Palaeontology: turtles in transition.

    PubMed

    Lee, Michael S Y

    2013-06-17

    One of the major remaining gaps in the vertebrate fossil record concerns the origin of turtles. The enigmatic little reptile Eunotosaurus could represent an important transitional form, as it has a rudimentary shell that resembles the turtle carapace.

  7. Urban guideway transit workshop: Proceedings

    SciTech Connect

    Larsen, H. )

    1992-03-01

    On March 20--21, 1991, EPRI sponsored a workshop on urban guideway transit. The purpose of this workshop was to provide utility managers with increased knowledge about urban guideway transit options, public policy regarding transit, and the effect of transit options on utility operations. With this information utilities should be better prepared to make decisions about transit development in their service areas. The workshop also provided EPRI with ideas and information for developing an R D project plan for urban guideway transit.

  8. Quantum Phase Transitions

    DTIC Science & Technology

    2011-05-01

    Park, NC 27709-2211 15. SUBJECT TERMS Quantum Thoery Phase transitions Subir Sachdev Harvard University Office of Sponsored Research 1350...magnetism, and solvable models obtained from string theory. After introducing the basic theory, it moves on to a detailed description of the canonical...students and researchers in condensed matter physics and particle and string theory. Print | Close Quantum Phase Transitions 2nd Edition Subir Sachdev

  9. Matter in transition

    DOE PAGES

    Anderson, Lara B.; Gray, James; Raghuram, Nikhil; ...

    2016-04-13

    In this study, we explore a novel type of transition in certain 6D and 4D quantum field theories, in which the matter content of the theory changes while the gauge group and other parts of the spectrum remain invariant. Such transitions can occur, for example, for SU(6) and SU(7) gauge groups, where matter fields in a three-index antisymmetric representation and the fundamental representation are exchanged in the transition for matter in the two-index antisymmetric representation. These matter transitions are realized by passing through superconformal theories at the transition point. We explore these transitions in dual F-theory and heterotic descriptions, wheremore » a number of novel features arise. For example, in the heterotic description the relevant 6D SU(7) theories are described by bundles on K3 surfaces where the geometry of the K3 is constrained in addition to the bundle structure. On the F-theory side, non-standard representations such as the three-index antisymmetric representation of SU(N) require Weierstrass models that cannot be realized from the standard SU(N) Tate form. We also briefly describe some other situations, with groups such as Sp(3), SO(12), and SU(3), where analogous matter transitions can occur between different representations. For SU(3), in particular, we find a matter transition between adjoint matter and matter in the symmetric representation, giving an explicit Weierstrass model for the F-theory description of the symmetric representation that complements another recent analogous construction.« less

  10. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    Boyertown Area High School astronomy teacher Peter Detterline prepares high powered binoculars with a solar filter so that his students may view the planet Mercury as it transits across the face of the sun , Monday, May 9, 2016, Boyertown Area High School, Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  11. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    Boyertown Area High School students, 12th grader Bransen Mackey, left, and 11th grader Nick Cioppi wear solar safety glasses and attempt to see the planet Mercury as it transits across the face of the sun, Monday, May 9, 2016, Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  12. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    Boyertown Area High School 12th grade student Ben Maurer uses his smartphone and a photographers lens with a solar filter to make a photograph of the planet Mercury transitting the sun, Monday, May 9, 2016, Boyertown area High School, Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  13. Mercury Solar Transit

    NASA Image and Video Library

    2016-05-09

    Boyertown Area High School 12th grade student Jay Hallman looks through a photographers lens and solar filter to see the planet Mercury as it transits across the face of the sun , Monday, May 9, 2016, Boyertown area High School, Boyertown, Pennsylvania. Mercury passes between Earth and the sun only about 13 times a century, with the previous transit taking place in 2006. Photo Credit: (NASA/Bill Ingalls)

  14. Venus Transit 2004

    NASA Astrophysics Data System (ADS)

    Mayo, L. A.; Odenwald, S. F.

    2002-09-01

    December 6th, 1882 was the last transit of the planet Venus across the disk of the sun. It was heralded as an event of immense interest and importance to the astronomical community as well as the public at large. There have been only six such occurrences since Galileo first trained his telescope on the heavens in 1609 and on Venus in 1610 where he concluded that Venus had phases like the moon and appeared to get larger and smaller over time. Many historians consider this the final nail in the coffin of the Ptolemaic, Earth centered solar system. In addition, each transit has provided unique opportunities for discovery such as measurement and refinement of the astronomical unit, calculation of longitudes on the earth, and detection of Venus' atmosphere. The NASA Sun Earth Connection Education Forum in partnership with the Solar System Exploration Forum, DPS, and a number of NASA space missions is developing plans for an international education program centered around the June 8, 2004 Venus transit. The transit will be visible in its entirety from Europe and partially from the East Coast of the United States. We will use a series of robotic observatories including the Telescopes In Education network distributed in latitude to provide observations of the transit that will allow middle and high school students to calculate the A.U. through application of parallax. We will also use Venus transit as a probe of episodes in American history (e.g. 1769: revolutionary era, 1882: post civil war era, and 2004: modern era). Museums and planetariums in the US and Europe will offer real time viewing of the transit and conduct educational programs through professional development seminars, public lectures, and planetarium shows. We are interested in soliciting advice from the research community to coordinate professional research interests with this program.

  15. Observation of Spin Polarized Clock Transition in 87Sr Optical Lattice Clock

    NASA Astrophysics Data System (ADS)

    Wang, Qiang; Lin, Yi-Ge; Li, Ye; Lin, Bai-Ke; Meng, Fei; Zang, Er-Jun; Li, Tian-Chu; Fang, Zhan-Jun

    2014-12-01

    We report our observation of the spin polarized 1S0 → 3P0 clock transition spectrum in an optical lattice clock based on fermionic 87Sr. The atoms are trapped and pre-cooled to about 2 μK with two stages of laser cooling at 461 nm and 689 nm, respectively. Then the atoms are loaded into an optical lattice formed by the interference of counter-propagating laser beams at 813 nm. An external cavity diode laser at 698 nm, which is stabilized to a high finesse cavity with a linewidth of about 5 Hz and a drift rate of less than 0.2 Hz/s, is used to excite the atoms to the 3P0 state. The π-polarized clock transition spectrum of resolvable mF states is obtained by applying a small bias magnetic field along the polarization axis of the probe beam. A spin polarized clock transition spectrum as narrow as 10 Hz with an 80 ms probe pulse is obtained.

  16. RTGs on Transit

    NASA Astrophysics Data System (ADS)

    Dassoulas, John; McNutt, Ralph L.

    2007-01-01

    Transit, the US Navy's Navigation Satellite System was conceived at the Applied Physics Laboratory in 1957 by observing the Doppler shift while tracking Sputnik I. As spacecraft development proceeded there was concern about the ability of batteries to maintain the hermetic seal over a 5-year operational life requirement; therefore, alternate energy sources were investigated. The radioisotope thermoelectric generator (RTG) concept was pursued and resulted in the launch of SNAP 3s, providing partial power on both Transit 4A and 4B. SNAP 9s provided full power on three Transit 5BNs. All launches occurred in the early 1960s. When the U.S. conducted the high altitude nuclear test from Johnson Island, several spacecraft were lost due to artificial enhancement of charged particles in the Earth's magnetosphere resulting in rapid degradation of solar cell power production. This led to the decision to have both an RTG and Solar cell/battery design for Transit power systems; hence, a new RTG design, with a separable heat source and radiative coupling to the thermoelectric elements, was flown on TRIAD. This pioneering effort provided the impetus for future RTGs on interplanetary spacecraft. This paper describes the origin and purpose of the Transit program and provides details on the five satellites in that program that were powered by the first American RTGs used in space. The rationale and some of the challenges inherent in that use are also described.

  17. High Energy Exoplanet Transits

    NASA Astrophysics Data System (ADS)

    Llama, Joe; Shkolnik, Evgenya L.

    2017-10-01

    X-ray and ultraviolet transits of exoplanets allow us to probe the atmospheres of these worlds. High energy transits have been shown to be deeper but also more variable than in the optical. By simulating exoplanet transits using high-energy observations of the Sun, we can test the limits of our ability to accurately measure the properties of these planets in the presence of stellar activity. We use both disk-resolved images of the Solar disk spanning soft X-rays, the ultraviolet, and the optical and also disk-integrated Sun-as-a-star observations of the Lyα irradiance to simulate transits over a wide wavelength range. We find that for stars with activity levels similar to the Sun, the planet-to-star radius ratio can be overestimated by up to 50% if the planet occults an active region at high energies. We also compare our simulations to high energy transits of WASP-12b, HD 189733, 55 Cnc b, and GJ 436b.

  18. The demographic transition.

    PubMed

    Coale, A J

    1984-01-01

    Demographic transition is a set of changes in reproductive behavior that are experienced as a society is transformed from a traditional pre-industrial state to a highly developed, modernized structure. The transformation is the substitution of slow growth achieved with low fertility and mortality for slow growth maintained with relatively high fertility and mortality rates. Contrary to early descriptions of the transition, fertility in pre-modern societies was well below the maximum that might be attained. However, it was kept at moderate levels by customs (such as late marriage or prolonged breastfeeding) not related to the number of children already born. Fertility has been reduced during the demographic transition by the adoption of contraception as a deliberate means of avoiding additional births. An extensive study of the transition in Europe shows the absence of a simple link of fertility with education, proportion urban, infant mortality and other aspects of development. It also suggests the importance of such cultural factors as common customs associated with a common language, and the strength of religious traditions. Sufficient modernization nevertheless seems always to bring the transition to low fertility and mortality.

  19. Perspective: The glass transition

    NASA Astrophysics Data System (ADS)

    Biroli, Giulio; Garrahan, Juan P.

    2013-03-01

    We provide here a brief perspective on the glass transition field. It is an assessment, written from the point of view of theory, of where the field is and where it seems to be heading. We first give an overview of the main phenomenological characteristics, or "stylised facts," of the glass transition problem, i.e., the central observations that a theory of the physics of glass formation should aim to explain in a unified manner. We describe recent developments, with a particular focus on real space properties, including dynamical heterogeneity and facilitation, the search for underlying spatial or structural correlations, and the relation between the thermal glass transition and athermal jamming. We then discuss briefly how competing theories of the glass transition have adapted and evolved to account for such real space issues. We consider in detail two conceptual and methodological approaches put forward recently, that aim to access the fundamental critical phenomenon underlying the glass transition, be it thermodynamic or dynamic in origin, by means of biasing of ensembles, of configurations in the thermodynamic case, or of trajectories in the dynamic case. We end with a short outlook.

  20. Examining hydrogen transitions.

    SciTech Connect

    Plotkin, S. E.; Energy Systems

    2007-03-01

    This report describes the results of an effort to identify key analytic issues associated with modeling a transition to hydrogen as a fuel for light duty vehicles, and using insights gained from this effort to suggest ways to improve ongoing modeling efforts. The study reported on here examined multiple hydrogen scenarios reported in the literature, identified modeling issues associated with those scenario analyses, and examined three DOE-sponsored hydrogen transition models in the context of those modeling issues. The three hydrogen transition models are HyTrans (contractor: Oak Ridge National Laboratory), MARKAL/DOE* (Brookhaven National Laboratory), and NEMS-H2 (OnLocation, Inc). The goals of these models are (1) to help DOE improve its R&D effort by identifying key technology and other roadblocks to a transition and testing its technical program goals to determine whether they are likely to lead to the market success of hydrogen technologies, (2) to evaluate alternative policies to promote a transition, and (3) to estimate the costs and benefits of alternative pathways to hydrogen development.

  1. Noise and Phase Transitions

    NASA Astrophysics Data System (ADS)

    Chen, Zhi; Yu, Clare C.

    2006-03-01

    Noise is present in many physical systems and is often viewed as a nuisance. Yet it can also be a probe of microscopic fluctuations. There have been indications recently that the noise in the resistivity increases in the vicinity of the metal-insulator transition. But what are the characteristics of the noise associated with well-understood first and second order phase transitions? It is well known that critical fluctuations are associated with second order phase transitions, but do these fluctuations lead to enhanced noise? We have addressed these questions using Monte Carlo simulations to study the noise in the 2D Ising model which undergoes a second order phase transition, and in the 5-state Potts model which undergoes a first order phase transition. We monitor these systems as the temperature drops below the critical temperature. At each temperature, after equilibration is established, we obtain the time series of quantities characterizing the properties of the system, i.e., the energy and magnetization per site. We apply different methods, such as the noise power spectrum, the Detrended Fluctuation Analysis (DFA) and the second spectrum of the noise, to analyze the fluctuations in these quantities.

  2. The Concept of Transition System

    ERIC Educational Resources Information Center

    Raffe, David

    2008-01-01

    The term "transition system" describes features of a country's institutional arrangements which shape young people's education-work transitions. It explains why national differences in transition processes and outcomes persist despite apparent pressures for convergence. This paper asks how the concept of transition system has been…

  3. Navajo childbirth in transition.

    PubMed

    Waxman, A G

    1990-03-01

    For the Navajo Indians, the transition from home-centered childbearing practices based on religious ritual to biomedically directed childbirth in hospitals was completed over a relatively short time in the middle decades of this century. For Anglo-American society, the acceptance of medically oriented childbirth occurred during an equally short period earlier in the century. The transition was driven for both by many common factors. For Navajo women it was additionally influenced by the social and economic changes that affected the Reservation following the beginning of the Second World War. This paper examines the changes in Navajo childbearing practices and, for comparison, those of the dominant American society. It reviews factors that permitted the acceptance of biomedical childbirth by Navajo women and explores the health implications of the transition.

  4. Quantum interface unbinding transitions

    NASA Astrophysics Data System (ADS)

    Jakubczyk, P.

    2012-08-01

    We consider interfacial phenomena accompanying bulk quantum phase transitions in the presence of surface fields. On general grounds we argue that the surface contribution to the system free energy involves a line of singularities characteristic of an interfacial phase transition, occurring below the bulk transition temperature Tc down to T=0. This implies the occurrence of an interfacial quantum critical regime extending into finite temperatures and located within the portion of the phase diagram where the bulk is ordered. Even in situations where the bulk order sets in discontinuously at T=0, the system's behavior at the boundary may be controlled by a divergent length scale if the tricritical temperature is sufficiently low. Relying on an effective interfacial model we compute the surface phase diagram in bulk spatial dimensionality d⩾2 and extract the values of the exponents describing the interfacial singularities in d⩾3.

  5. Transition and laminar instability

    NASA Technical Reports Server (NTRS)

    Mack, L. M.

    1977-01-01

    The linear stability theory was applied to the problem of boundary layer transition in incompressible flow. The theory was put into a form suitable for three-dimensional boundary layers; both the temporal and spatial theories were examined; and a generalized Gaster relation for three-dimensional boundary layers was derived. Numerical examples include the stability characteristics of Falkner-Skan boundary layers, the accuracy of the two-dimensional Gaster relation for these boundary layers, and the magnitude and direction of the group velocity for oblique waves in the Blasius boundary layer. Available experiments which bear on the validity of stability theory and its relation to transition are reviewed and the stability theory is applied to transition prediction. The amplitude method is described in which the wide band disturbance amplitude in the boundary layer is estimated from stability theory and an interaction relation for the initial amplitude density of the most unstable frequency.

  6. Effects of plasma microfields on radiative transitions from atomic levels above the ionization threshold

    NASA Technical Reports Server (NTRS)

    Davis, J.; Jacobs, V. L.

    1975-01-01

    The effects of plasma electric microfields on line-like optical features arising from atomic levels above the ionization threshold are investigated within the framework of the quasi-static and single-frequency dynamic-field theories of spectral-line broadening. The 2p(23)P to 1s2p(3)P and 2s2p(3)P to 1s2s(3)S transitions in helium and helium-like ions are treated as examples. The mixing of the doubly excited levels in the perturbing microfields produces Stark broadening of the emission lines and induces autoionization of the 2p(23)P level, which, unlike the 2s2p(3)P level, is metastable against autoionization in the field-free environment. Determination of the complete Stark-broadening profiles in thermal plasmas is complicated by the need to include the effects of both the (quasi-static) ion and the (dynamic) electron fields. Under nonequilibrium conditions, where electric fields from either electron or ion plasma waves can far exceed nearby particle fields, the calculation and interpretation of the line shapes may be simplified and could provide a diagnostic probe of the wave-field properties.

  7. Electroweak phase transitions

    SciTech Connect

    Anderson, G.W.

    1991-09-16

    An analytic treatment of the one Higgs doublet, electroweak phase transition is given. The phase transition is first order, occurs by the nucleation of thin walled bubbles and completes at a temperature where the order parameter, {l_angle}{phi}{r_angle}{sub T} is significantly smaller than it is when the origin becomes absolutely unstable. The rate of anomalous baryon number violation is an exponentially function of {l_angle}{phi}{r_angle}{sub T}. In very minimal extensions of the standard model it is quite easy to increase {l_angle}{phi}{r_angle}{sub T} so that anomalous baryon number violation is suppressed after completion of the phase transition. Hence baryogenesis at the electroweak phase transition is tenable in minimal of the standard model. In some cases additional phase transitions are possible. For a light Higgs boson, when the top quark mass is sufficiently large, the state where the Higgs field has a vacuum expectation value {l_angle}{phi}{r_angle} = 246 GeV is not the true minimum of the Higgs potential. When this is the case, and when the top quark mass exceeds some critical value, thermal fluctuations in the early universe would have rendered the state {l_angle}{phi}{r_angle} = 246 GeV unstable. The requirement that the state {l_angle}{phi}{r_angle} = 246 GeV is sufficiently long lived constrains the masses of the Higgs boson and the top quark. Finally, we consider whether local phase transitions can be induced by heavy particles which act as seeds for deformations in the scalar field.

  8. Electroweak phase transitions

    SciTech Connect

    Anderson, G.W.

    1991-09-16

    An analytic treatment of the one Higgs doublet, electroweak phase transition is given. The phase transition is first order, occurs by the nucleation of thin walled bubbles and completes at a temperature where the order parameter, {l angle}{phi}{r angle}{sub T} is significantly smaller than it is when the origin becomes absolutely unstable. The rate of anomalous baryon number violation is an exponentially function of {l angle}{phi}{r angle}{sub T}. In very minimal extensions of the standard model it is quite easy to increase {l angle}{phi}{r angle}{sub T} so that anomalous baryon number violation is suppressed after completion of the phase transition. Hence baryogenesis at the electroweak phase transition is tenable in minimal of the standard model. In some cases additional phase transitions are possible. For a light Higgs boson, when the top quark mass is sufficiently large, the state where the Higgs field has a vacuum expectation value {l angle}{phi}{r angle} = 246 GeV is not the true minimum of the Higgs potential. When this is the case, and when the top quark mass exceeds some critical value, thermal fluctuations in the early universe would have rendered the state {l angle}{phi}{r angle} = 246 GeV unstable. The requirement that the state {l angle}{phi}{r angle} = 246 GeV is sufficiently long lived constrains the masses of the Higgs boson and the top quark. Finally, we consider whether local phase transitions can be induced by heavy particles which act as seeds for deformations in the scalar field.

  9. Materials Data on Sb2(S2O7)3 (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Degradation of florfenicol in water by UV/Na2S 2O 8 process.

    PubMed

    Gao, Yu-Qiong; Gao, Nai-Yun; Deng, Yang; Yin, Da-Qiang; Zhang, Yan-Sen

    2015-06-01

    UV irradiation-activated sodium persulfate (UV/PS) was studied to degrade florfenicol (FLO), a phenicol antibiotic commonly used in aquaculture, in water. Compared with UV/H2O2 process, UV/PS process achieves a higher FLO degradation efficiency, greater mineralization, and less cost. The quantum yield for direct photolysis of FLO and the second-order rate constant of FLO with sulfate radicals were determined. The effects of various factors, namely PS concentration, anions (NO3 (-), Cl(-), and HCO3 (-)), ferrous ion, and humic acid (HA), on FLO degradation were investigated. The results showed that the pseudo-first-order rate constant increased linearly with increased PS concentration. The tested anions all adversely affected FLO degradation performance with the order of HCO3 (-) > Cl(-) > NO3 (-). Coexisting ferrous ions enhanced FLO degradation at a Fe(2+)/PS molar ratio under 1:1. HA significantly inhibited FLO degradation due to radical scavenging and light-screening effect. Toxicity assessment showed that it is capable of controlling the toxicity for FLO degradation. These findings indicated that UV/PS is a promising technology for water polluted by antibiotics, and the treatment is optimized only after the impacts of water characteristics are carefully considered.

  11. Materials Data on KH6C2S2NO4 (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on Y2Ti2S2O5 (SG:139) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-23

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on Sb2S2O9 (SG:92) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on P2S2O3 (SG:120) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on As2S2F3 (SG:57) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Strain engineering of electronic and magnetic properties of Ga2S2 nanoribbons

    NASA Astrophysics Data System (ADS)

    Wang, Bao-Ji; Li, Xiao-Hua; Zhang, Li-Wei; Wang, Guo-Dong; Ke, San-Huang

    2017-05-01

    Not Available Project supported by the National Natural Science Foundation of China (Grant Nos. 11174220 and 11374226), the Key Scientific Research Project of the Henan Institutions of Higher Learning, China (Grant No. 16A140009), the Program for Innovative Research Team of Henan Polytechnic University, China (Grant Nos. T2015-3 and T2016-2), the Doctoral Foundation of Henan Polytechnic University, China (Grant No. B2015-46), and the High-performance Grid Computing Platform of Henan Polytechnic University, China.

  17. NaK5Cl2(S2O6)2

    NASA Astrophysics Data System (ADS)

    Villars, P.; Cenzual, K.; Gladyshevskii, R.; Shcherban, O.; Dubenskyy, V.; Kuprysyuk, V.; Savysyuk, I.; Zaremba, R.

    This document is part of Subvolume A11 'Structure Types. Part 11: Space Groups (135) P42/mbc - (123) P4/mmm' of Volume 43 'Crystal Structures of Inorganic Compounds' of Landolt-Börnstein - Group III 'Condensed Matter'.

  18. Materials Data on K2S2O5 (SG:11) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on K3H2S2NO7 (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Two-photon exchange correction to 2 S -2 P splitting in muonic 3He ions

    NASA Astrophysics Data System (ADS)

    Carlson, Carl E.; Gorchtein, Mikhail; Vanderhaeghen, Marc

    2017-01-01

    We calculate the two-photon exchange correction to the Lamb shift in muonic 3He ions within the dispersion relations framework. Part of the effort entailed making analytic fits to the electron-3He quasielastic scattering data set, for purposes of doing the dispersion integrals. Our result is that the energy of the 2 S state is shifted downwards by two-photon exchange effects by 15.14(49) meV, in good accord with the result obtained from a potential model and effective field theory calculation.

  1. Materials Data on Re2S2NCl11 (SG:15) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on KH3C2S2O (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Materials Data on KPH5C2S2(NO)3 (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on PC2S2N3 (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Materials Data on CuC2S2(OF)6 (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-23

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Materials Data on Yb2S2O (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-05-20

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. Materials Data on KY2Ti2S2O5 (SG:123) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-26

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. Materials Data on YH8C2S2NO9 (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on Rb2S2O7 (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-04

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on Sb2S2O (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-03-28

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on Ca2H2S2O9 (SG:5) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-05

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on Tb2S2O (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-09-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on Sr3Co2S2O5 (SG:139) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-09-03

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on Sr3Fe2S2O5 (SG:139) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-04-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on Sr3Cr2S2O5 (SG:139) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-09-03

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on Na2S2O3 (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-11

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on PC2S2N3 (SG:14) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-14

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. UTM: Universal Transit Modeller

    NASA Astrophysics Data System (ADS)

    Deeg, Hans J.

    2014-12-01

    The Universal Transit Modeller (UTM) is a light-curve simulator for all kinds of transiting or eclipsing configurations between arbitrary numbers of several types of objects, which may be stars, planets, planetary moons, and planetary rings. A separate fitting program, UFIT (Universal Fitter) is part of the UTM distribution and may be used to derive best fits to light-curves for any set of continuously variable parameters. UTM/UFIT is written in IDL code and its source is released in the public domain under the GNU General Public License.

  19. Network observability transitions.

    PubMed

    Yang, Yang; Wang, Jianhui; Motter, Adilson E

    2012-12-21

    In the modeling, monitoring, and control of complex networks, a fundamental problem concerns the comprehensive determination of the state of the system from limited measurements. Using power grids as example networks, we show that this problem leads to a new type of percolation transition, here termed a network observability transition, which we solve analytically for the configuration model. We also demonstrate a dual role of the network's community structure, which both facilitates optimal measurement placement and renders the networks substantially more sensitive to "observability attacks." Aside from their immediate implications for the development of smart grids, these results provide insights into decentralized biological, social, and technological networks.

  20. From trans-[(eta5-C5Me5)2Mo2S2(mu-S)2] to [(eta5-C5Me5)2Mo2(mu3-S)4(CuMeCN)2]2+ to [(eta5-C5Me5)2Mo2(mu3-S)4Cu2]-based polymeric and dimeric clusters: syntheses, structures and enhanced third-order non-linear optical performances.

    PubMed

    Ren, Zhi-Gang; Yang, Jun-Yi; Song, Ying-Lin; Li, Ni-Ya; Li, Hong-Xi; Chen, Yang; Zhang, Yong; Lang, Jian-Ping

    2009-04-14

    Reactions of trans-[(eta5-C5Me5)2Mo2S2(mu-S)2] (1) with 2 equiv. of [Cu(MeCN)4]X (X = PF6-, ClO4-) produced two acetonitrile-coordinated cubane-like cationic clusters [(eta5-C5Me5)2Mo2(mu3-S)4Cu2(MeCN)2]X2 (X = PF6- (2), ClO4- (3)). Treatment of 2 or 3 with 4,4'-bipyridine (4,4'-bipy) or trans-1,2-bis(4-pyridyl)ethylene) (bpee) afforded two polymeric clusters {[(eta5-C5Me5)2Mo2(mu3-S)4Cu2(L)]X2}n (4: L = 4,4'-bipy, X = PF6-; 5: L = bpee, X = ClO4-), while analogous reactions of 2 or 3 with 1,2-bis(4-pyridyl)ethane (bpea), 1,2-bis(diphenylphosphine)ethane (dppe), or 1,4-bis-(diphenylphosphine)butane) (dppb) formed three dimeric clusters [(eta5-C5Me5)2Mo2(mu3-S)4Cu2(L)]2X4 (6: L = bpea; X = PF6-; 7: L = dppe, X = ClO4-; 8: L = dppb, X = ClO4-). Clusters 2-8 consist of a cubane-like [(eta5-C5Me5)2Mo2(mu3-S)4Cu2] core with each Cu being coordinated by one labile MeCN molecule (2, 3) or by bridging dipyridyl or diphosphino ligands (4-8). 4 or 5 has a 1D zigzag chain structure while 6-8 contain cyclic dimeric structures. The third-order non-linear optical (NLO) properties of 2-8 in MeCN were investigated by Z-scan technique at 532 nm. These compounds showed strong third-order NLO absorption effects and self-defocusing properties, and their NLO performances were remarkably enhanced relative to those of 1.

  1. Nursing Role Transition Preceptorship

    ERIC Educational Resources Information Center

    Batory, Susan M.

    2014-01-01

    The preceptorship clinical experience in a practical nursing (PN) program at a Midwestern community college is considered crucial to the PN students' transition from novice nurse to professional nurse. However, no research has been available to determine whether the preceptorship clinical accomplishes its purpose. A case study was conducted to…

  2. Families in Transition .

    ERIC Educational Resources Information Center

    Bundy, Michael L., Ed.; Gumaer, James, Ed.

    1984-01-01

    Focuses on disrupted families and the role of the school counselor in helping children adjust. Describes characteristics of healthy families, and discusses the transition to the blended family, effects of divorce groups on children's classroom behavior, counseling children in stepfamilies, single-parent families, and parenting strengths of single…

  3. Learning for Life Transitions

    ERIC Educational Resources Information Center

    Varmecky, Jane Hyde

    2012-01-01

    Many adults return to formal learning situations to pursue lifelong learning goals because their lives are in transition from dealing with real-life problems such as divorce and re-marriage. The purpose of this study was to describe what couples learned that contributed to the success of their subsequent marriages and how they learned it. The…

  4. Immigration and Adult Transitions

    ERIC Educational Resources Information Center

    Rumbaut, Ruben G.; Komaie, Golnaz

    2010-01-01

    Almost 30 percent of the more than 68 million young adults aged eighteen to thirty-four in the United States today are either foreign born or of foreign parentage. As these newcomers make their transitions to adulthood, say Ruben Rumbaut and Golnaz Komaie, they differ significantly not only from one another but also from their native-parentage…

  5. The contact percolation transition

    NASA Astrophysics Data System (ADS)

    Shen, Tianqi; O'Hern, Corey; Shattuck, Mark

    2012-02-01

    Typical quasistatic compression algorithms for generating jammed packings of athermal, purely repulsive particles begin with dilute configurations and then apply successive compressions with relaxation of the elastic energy allowed between each compression step. It is well-known that during isotropic compression athermal systems with purely repulsive interactions undergo a jamming transition at packing fraction φJ from an unjammed state with zero pressure to a jammed, rigid state with nonzero pressure. Using extensive computer simulations, we show that a novel second-order-like, contact percolation, which signals the formation of a system-spanning cluster of mutually contacting particles, occurs at φP< φJ, preceding the jamming transition. By measuring the number of non-floppy modes of the dynamical matrix, the displacement field between successive compression steps, and the overlap between the adjacency matrix, which represents the network of contacting grains, at φ and φJ, we find that the contact percolation transition also heralds the onset of nontrivial response to applied stress. Highly heterogeneous, cooperative, and non-affine particle motion occurs in unjammed systems significantly below the jamming transition for φP< φ< φJ,

  6. A Transiting Jupiter Analog

    NASA Astrophysics Data System (ADS)

    Kipping, D. M.; Torres, G.; Henze, C.; Teachey, A.; Isaacson, H.; Petigura, E.; Marcy, G. W.; Buchhave, L. A.; Chen, J.; Bryson, S. T.; Sandford, E.

    2016-04-01

    Decadal-long radial velocity surveys have recently started to discover analogs to the most influential planet of our solar system, Jupiter. Detecting and characterizing these worlds is expected to shape our understanding of our uniqueness in the cosmos. Despite the great successes of recent transit surveys, Jupiter analogs represent a terra incognita, owing to the strong intrinsic bias of this method against long orbital periods. We here report on the first validated transiting Jupiter analog, Kepler-167e (KOI-490.02), discovered using Kepler archival photometry orbiting the K4-dwarf KIC-3239945. With a radius of (0.91+/- 0.02) {R}{{J}}, a low orbital eccentricity ({0.06}-0.04+0.10), and an equilibrium temperature of (131+/- 3) K, Kepler-167e bears many of the basic hallmarks of Jupiter. Kepler-167e is accompanied by three Super-Earths on compact orbits, which we also validate, leaving a large cavity of transiting worlds around the habitable-zone. With two transits and continuous photometric coverage, we are able to uniquely and precisely measure the orbital period of this post snow-line planet (1071.2323 ± 0.0006d), paving the way for follow-up of this K = 11.8 mag target.

  7. Military Lives: Coaching Transitions

    ERIC Educational Resources Information Center

    Beech, Nick; Gold, Jeff; Beech, Susan

    2017-01-01

    Purpose: The purpose of this paper is to first consider how veterans use talk to shape interpretations of personal and social identity. Second, this paper seeks to gain an understanding of how veterans see themselves in a civilian world, their ability to re-conceptualise and realign their perspective on life to support their transition in to a…

  8. String mediated phase transitions

    NASA Technical Reports Server (NTRS)

    Copeland, ED; Haws, D.; Rivers, R.; Holbraad, S.

    1988-01-01

    It is demonstrated from first principles how the existence of string-like structures can cause a system to undergo a phase transition. In particular, the role of topologically stable cosmic string in the restoration of spontaneously broken symmetries is emphasized. How the thermodynamic properties of strings alter when stiffness and nearest neighbor string-string interactions are included is discussed.

  9. Variational transition state theory

    SciTech Connect

    Truhlar, D.G.

    1993-12-01

    This research program involves the development of variational transition state theory (VTST) and semiclassical tunneling methods for the calculation of gas-phase reaction rates and selected applications. The applications are selected for their fundamental interest and/or their relevance to combustion.

  10. Tips for Transition

    ERIC Educational Resources Information Center

    Kellems, Ryan O.; Morningstar, Mary E.

    2010-01-01

    The Individuals With Disabilities Education Improvement Act of 2004 (IDEA) states that transition planning should begin at the earliest age appropriate and no later than age 16. IDEA requires schools to make collaborative efforts to provide students access to an array of postschool activities including integrated employment, postsecondary…

  11. exorings: Exoring Transit Properties

    NASA Astrophysics Data System (ADS)

    Zuluaga, Jorge I.; Kipping, David M.; Sucerquia, Mario; Alvarado, Jaime A.

    2017-03-01

    Exorings is suitable for surveying entire catalogs of transiting planet candidates for exoring candidates, providing a subset of objects worthy of more detailed light curve analysis. Moreover, it is highly suited for uncovering evidence of a population of ringed planets by comparing the radius anomaly and PR-effects in ensemble studies.

  12. Families in Transition.

    ERIC Educational Resources Information Center

    Britton, Patti O., Ed.; McGee, Michael, Ed.

    1987-01-01

    This issue of "Emphasis" deals with families in transition, providing some model programs for the new family and some historical perspectives on how families have developed over time. Articles include: (1) "Nostalgia on the Right" (Nancy Theriot); (2) "Heart to Heart" (Nancy Harrington-MacLennan); (3) "The Media Get the Message" (Janet Alyn); (4)…

  13. Outplacement as Transition Counseling.

    ERIC Educational Resources Information Center

    Mirabile, Richard J.

    1985-01-01

    Describes outplacement counseling as a process that enables management to deal with the problem of the employee who must be released or the staff that must be reduced. Discusses the process of outplacement counseling, the stages of transition counseling, and techniques to be implemented. (BH)

  14. The TRANSITION Program.

    ERIC Educational Resources Information Center

    Office of the Assistant Secretary of Defense for Manpower and Reserve Affairs (DOD), Washington, DC.

    Operated on a voluntary, decentralized basis at 215 military bases (58 overseas), the TRANSITION Program is designed to provide maximum guidance and training or educational opportunities for servicemen during their last six months of duty to prepare them for productive reentry into civilian life. Public and private placement services are also…

  15. A Survey Transition Course

    ERIC Educational Resources Information Center

    Johnston, William; McAllister, Alex M.

    2012-01-01

    Successful outcomes for a "Transition Course in Mathematics" have resulted from two unique design features. The first is to run the course as a "survey course" in mathematics, introducing sophomore-level students to a broad set of mathematical fields. In this single mathematics course, undergraduates benefit from an introduction of proof…

  16. Structural transitions in clusters

    NASA Astrophysics Data System (ADS)

    Ghazali, A.; Lévy, J.-C. S.

    1997-02-01

    Monatomic clusters are studied by Monte Carlo relaxation using generalized Lennard-Jones potentials. A transition from an icosahedral symmetry to a crystalline symmetry with stacking faults is always observed. Bcc-based soft atom clusters are found to have a lower energy than the corresponding hcp and fcc ones below the melting point.

  17. Transitions in Higher Education

    ERIC Educational Resources Information Center

    Hussey, Trevor; Smith, Patrick

    2010-01-01

    This paper offers ideas towards a solution of some of the problems that arise due to the extension of higher education to an ever wider range of students: especially student drop-out. It suggests that, as far as is practical, the design and delivery of higher education should be based upon the major changes or transitions which the students…

  18. A Survey Transition Course

    ERIC Educational Resources Information Center

    Johnston, William; McAllister, Alex M.

    2012-01-01

    Successful outcomes for a "Transition Course in Mathematics" have resulted from two unique design features. The first is to run the course as a "survey course" in mathematics, introducing sophomore-level students to a broad set of mathematical fields. In this single mathematics course, undergraduates benefit from an introduction of proof…

  19. Singing Smoothes Classroom Transitions

    ERIC Educational Resources Information Center

    Mathews, Sarah E.

    2012-01-01

    Just as humming a merry tune helped Snow White and her furry animal friends to quickly clean a filthy cottage in the movie "Snow White and the Seven Dwarfs" (Disney & Cottrell, 1937), singing can be an effective way to help keep young children fully engaged during classroom transitions. The purposes of this article are to: (1) consider why…

  20. Modeling of transitional flows

    NASA Technical Reports Server (NTRS)

    Lund, Thomas S.

    1988-01-01

    An effort directed at developing improved transitional models was initiated. The focus of this work was concentrated on the critical assessment of a popular existing transitional model developed by McDonald and Fish in 1972. The objective of this effort was to identify the shortcomings of the McDonald-Fish model and to use the insights gained to suggest modifications or alterations of the basic model. In order to evaluate the transitional model, a compressible boundary layer code was required. Accordingly, a two-dimensional compressible boundary layer code was developed. The program was based on a three-point fully implicit finite difference algorithm where the equations were solved in an uncoupled manner with second order extrapolation used to evaluate the non-linear coefficients. Iteration was offered as an option if the extrapolation error could not be tolerated. The differencing scheme was arranged to be second order in both spatial directions on an arbitrarily stretched mesh. A variety of boundary condition options were implemented including specification of an external pressure gradient, specification of a wall temperature distribution, and specification of an external temperature distribution. Overall the results of the initial phase of this work indicate that the McDonald-Fish model does a poor job at predicting the details of the turbulent flow structure during the transition region.

  1. Is Mass Transit Possible?

    ERIC Educational Resources Information Center

    Environmental Science and Technology, 1975

    1975-01-01

    Mass transit is possible in the United States, but only if the form it takes offers americans the quality of ride--cheap, private and rapid--they now have in the automobile. If these criteria are not achieved, Americans will continue to drive. (BT)

  2. Nursing Role Transition Preceptorship

    ERIC Educational Resources Information Center

    Batory, Susan M.

    2014-01-01

    The preceptorship clinical experience in a practical nursing (PN) program at a Midwestern community college is considered crucial to the PN students' transition from novice nurse to professional nurse. However, no research has been available to determine whether the preceptorship clinical accomplishes its purpose. A case study was conducted to…

  3. Managing Adult Transitions.

    ERIC Educational Resources Information Center

    Sargent, Alice G.; Schlossberg, Nancy K.

    1988-01-01

    Suggests basic truths about adult behavior: (1) adult behavior is determined by transition, not age; (2) adults are motivated to learn and change by a need to control, belong, matter, master, renew, and take stock; and (3) adult readiness for change depends on situation, support, self, and strategies. (JOW)

  4. Venus Transit From ISS

    NASA Image and Video Library

    2017-09-27

    Transit of Venus as seen at 762nm in the CO Module. This image is from NASA Astronaut Don Petttit shot from onboard the International Space Station on June 5, 2012. Petttit, who had the foresight to bring a solar filter for his camera, will be capturing the June 5 Venus Transit from the International Space Station with the images downloading in almost real-time. He will photograph through the European Space Agency-built "cupola", removing the scratch panes to get crisp, clear images. Credit: NASA To read more about the 2012 Venus Transit go to: sunearthday.nasa.gov/transitofvenus Add your photos of the Transit of Venus to our Flickr Group here: www.flickr.com/groups/venustransit/ NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

  5. Phobos in Transit

    NASA Image and Video Library

    2012-09-19

    Mars has two small, asteroid-sized moons named Phobos and Deimos. This frame from an animation shows the point of view of the rover, located near the equator of Mars, as these moons occasionally pass in front of, or transit, the disk of the sun.

  6. Youth Policy in Transition.

    ERIC Educational Resources Information Center

    Timpane, Michael; And Others

    A study team was commissioned to critically review three independent reports on youth and schooling: "Youth: Transition to Adulthood"; "The Education of Adolescents"; and "The Reform of Secondary Education." The study team examined the reports in light of the most recent available social science evidence. The three reports, presenting similar…

  7. Singing Smoothes Classroom Transitions

    ERIC Educational Resources Information Center

    Mathews, Sarah E.

    2012-01-01

    Just as humming a merry tune helped Snow White and her furry animal friends to quickly clean a filthy cottage in the movie "Snow White and the Seven Dwarfs" (Disney & Cottrell, 1937), singing can be an effective way to help keep young children fully engaged during classroom transitions. The purposes of this article are to: (1) consider why…

  8. Transition Is Everyone's Job.

    ERIC Educational Resources Information Center

    Sherman, Jill Z.; Osborn, Sandra R.

    Vocationally at-risk students have one or a combination of handicaps affecting mobility, coordination, communication, self-care and/or cognition which may significantly interfere with the goals of successful student-to-adult transition, namely employment, productive work, and independent community living. A program for students with physical…

  9. Transition Path Sampling Methods

    NASA Astrophysics Data System (ADS)

    Dellago, C.; Bolhuis, P. G.; Geissler, P. L.

    Transition path sampling, based on a statistical mechanics in trajectory space, is a set of computational methods for the simulation of rare events in complex systems. In this chapter we give an overview of these techniques and describe their statistical mechanical basis as well as their application.

  10. Administrative Theory in Transition.

    ERIC Educational Resources Information Center

    Griffiths, Daniel E.

    This monograph analyzes transition in educational administrative theory. A brief introductory section describes the theoretical movement, the substance and repercussions of Thomas Greenfield's critique of educational administrative theory in 1974, and emerging qualitative approaches. Seven readings, all written by the volume's author, view…

  11. Selected Readings in Transition.

    ERIC Educational Resources Information Center

    Harnisch, Delwyn L.; And Others

    This collection of readings covers critical issues related to transition of youth with disabilities from school to post-school experiences. The first paper, titled "'Cognitive Return' of Schooling for Students with Disabilities: Preliminary Findings from 'High School and Beyond'" by Delwyn L. Harnisch and Ian A. G. Wilkinson, applies…

  12. Transition at hypersonic speeds

    NASA Technical Reports Server (NTRS)

    Morkovin, Mark V.

    1987-01-01

    Certain conjectures on the physics of instabilities in high-speed flows are discussed and the state of knowledge of hypersonic transition summarized. The case is made for an unpressured systematic research program in this area consisting of controlled microscopic experiments, theory, and numerical simulations.

  13. Transit of Extrasolar Planets

    NASA Technical Reports Server (NTRS)

    Doyle, Laurance R.

    1998-01-01

    During the past five years we have pursued the detection of extrasolar planets by the photometric transit method, i.e. the detection of a planet by watching for a drop in the brightness of the light as it crosses in front of a star. The planetary orbit must cross the line-of-sight and so most systems will not be lined up for such a transit to ever occur. However, we have looked at eclipsing binary systems which are already edge-on. Such systems must be very small in size as this makes the differential light change due to a transit much greater for a given planet size (the brightness difference will be proportional to the area of the transiting planet to the disc area of the star). Also, the planet forming region should be closer to the star as small stars are generally less luminous (that is, if the same thermal regime for planet formation applies as in the solar system). This led to studies of the habitable zone around other stars, as well. Finally, we discovered that our data could be used to detect giant planets without transits as we had been carefully timing the eclipses of the stars (using a GPS antenna for time) and this will drift by being offset by any giant planets orbiting around the system, as well. The best summary of our work may be to just summarize the 21 refereed papers produced during the time of this grant. This will be done is chronological order and in each section separately.

  14. Quantum Transition State Theory

    NASA Astrophysics Data System (ADS)

    Waalkens, Holger

    2009-03-01

    The main idea of Wigner's transition state theory (TST) is to compute reaction rates from the flux through a dividing surface placed between reactants and products. In order not to overestimate the rate the dividing surface needs to have the no- recrossing property, i.e. reactive trajectories cross the dividing surface exactly once, and nonreactive trajectories do not cross it at all. The long standing problem of how to construct such a diving surface for multi-degree-of-freedom systems was solved only recently using ideas from dynamical systems theory. Here a normal form allows for a local decoupling of the classical dynamics which leads to the explicit construction of the phase space structures that govern the reaction dynamics through transition states. The dividing surface is spanned by a normally hyperbolic manifold which is the mathematical manifestation of the transition state as an unstable invariant subsystem of one degree of freedom less than the full system. The mere existence of a quantum version of TST is discussed controversially in the literature. The key isssue is the presence of quantum mechanical tunneling which prohibits the existence of a local theory analogous to the classical case. Various approaches have been devloped to overcome this problem by propagating quantum wavefunctions through the transition state region. These approaches have in common that they are computationally very expensive which seriously limits their applicability. In contrast the approach by Roman Schubert, Stephen Wiggins and myself is local in nature. A quantum normal form allows us to locally decouple the quantum dynamics to any desired order in Planck's constant. This yields not only the location of the scattering and resonance wavefunctions relative to the classical phase space structures, but also leads to very efficient algorithms to compute cumulative reaction probabilities and Gamov-Siegert resonances which are the quantum imprints of the transition state.

  15. Water's second glass transition.

    PubMed

    Amann-Winkel, Katrin; Gainaru, Catalin; Handle, Philip H; Seidl, Markus; Nelson, Helge; Böhmer, Roland; Loerting, Thomas

    2013-10-29

    The glassy states of water are of common interest as the majority of H2O in space is in the glassy state and especially because a proper description of this phenomenon is considered to be the key to our understanding why liquid water shows exceptional properties, different from all other liquids. The occurrence of water's calorimetric glass transition of low-density amorphous ice at 136 K has been discussed controversially for many years because its calorimetric signature is very feeble. Here, we report that high-density amorphous ice at ambient pressure shows a distinct calorimetric glass transitions at 116 K and present evidence that this second glass transition involves liquid-like translational mobility of water molecules. This "double Tg scenario" is related to the coexistence of two liquid phases. The calorimetric signature of the second glass transition is much less feeble, with a heat capacity increase at Tg,2 about five times as large as at Tg,1. By using broadband-dielectric spectroscopy we resolve loss peaks yielding relaxation times near 100 s at 126 K for low-density amorphous ice and at 110 K for high-density amorphous ice as signatures of these two distinct glass transitions. Temperature-dependent dielectric data and heating-rate-dependent calorimetric data allow us to construct the relaxation map for the two distinct phases of water and to extract fragility indices m = 14 for the low-density and m = 20-25 for the high-density liquid. Thus, low-density liquid is classified as the strongest of all liquids known ("superstrong"), and also high-density liquid is classified as a strong liquid.

  16. Transition States and transition state analogue interactions with enzymes.

    PubMed

    Schramm, Vern L

    2015-04-21

    Enzymatic transition states have lifetimes of a few femtoseconds (fs). Computational analysis of enzyme motions leading to transition state formation suggests that local catalytic site motions on the fs time scale provide the mechanism to locate transition states. An experimental test of protein fs motion and its relation to transition state formation can be provided by isotopically heavy proteins. Heavy enzymes have predictable mass-altered bond vibration states without altered electrostatic properties, according to the Born-Oppenheimer approximation. On-enzyme chemistry is slowed in most heavy proteins, consistent with altered protein bond frequencies slowing the search for the transition state. In other heavy enzymes, structural changes involved in reactant binding and release are also influenced. Slow protein motions associated with substrate binding and catalytic site preorganization are essential to allow the subsequent fs motions to locate the transition state and to facilitate the efficient release of products. In the catalytically competent geometry, local groups move in stochastic atomic motion on the fs time scale, within transition state-accessible conformations created by slower protein motions. The fs time scale for the transition state motions does not permit thermodynamic equilibrium between the transition state and stable enzyme states. Isotopically heavy enzymes provide a diagnostic tool for fast coupled protein motions to transition state formation and mass-dependent conformational changes. The binding of transition state analogue inhibitors is the opposite in catalytic time scale to formation of the transition state but is related by similar geometries of the enzyme-transition state and enzyme-inhibitor interactions. While enzymatic transition states have lifetimes as short as 10(-15) s, transition state analogues can bind tightly to enzymes with release rates greater than 10(3) s. Tight-binding transition state analogues stabilize the rare but

  17. Atomic alignment effect on reactivity and on product alignment in the energy-transfer reaction of oriented Ar (3P2, 4s [3/2]2, M(J) = 2) + Kr (4p6, 1S0) → Ar (3p6, 1S0) + Kr (5p [3/2]2).

    PubMed

    Ohoyama, H

    2015-03-12

    Steric effect for the formation of Kr (5p [3/2]₂) in the energy transfer reaction of Ar (³P₂, 4s [3/2]₂) + Kr has been studied by using an oriented Ar (³P₂, 4s [3/2]₂, M(J) = 2) beam at a collision energy of ∼0.09 eV. The emission intensity of Kr (5p [3/2]₂) is ca. 2 times enhanced when the angular momentum (J(Ar)) of Ar (³P₂) is aligned perpendicular to the relative velocity vector (v(R)). In addition, the Kr (5p [3/2]₂) emission is highly polarized parallel to v(R) (I(∥)/I(⊥) ∼ 1.2) when JAr is aligned perpendicular to v(R). The observed polarization moments indicate that the alignment of the unpaired Ar (3p) orbital of Ar (³P₂) to v(R), (Σ (|L′| = 0), Π (|L′| = 1)), dominates the energy transfer probability (σ(Π)(∥): σ(Σ)(∥): σ(Π)(⊥): σ(Σ)(⊥) = 0.49:1.33:0.55:1.23) and also the alignment of the Kr (5p) orbital of Kr (5p [3/2]₂) to v(R): the Σ-configuration of the Ar (3p) orbital leads to the parallel alignment (Σ-configuration) of the Kr(5p) orbital to v(R), conversely, the Π-configuration of Ar (3p) orbital leads to the perpendicular alignment (Π-configuration) of the Kr(5p) orbital. In addition, the selectivity of the alignment of the Kr (5p) orbital turns out to vary from perpendicular to parallel as the collision energy increases after a threshold down to 0.03 eV.

  18. The Mongolia experience: transitioning within transition.

    PubMed

    MacKenzie, Richard G

    2009-12-01

    Although Mongolia has a long and distinguished history, as a new and emerging democracy it is experiencing the pains of transition-one that is moving the country from its pastoral and nomadic past into the 21st century. Confounded by its previous dependence on socialist Soviet Russia, the concept of a market economy seems opportunistic for some, while for those living within the traditional lifestyle of the herdsman in the countryside it is confusing and threatening to family structure and values. Adolescents and young adults are caught at the interface-not only of their own development, but by the disparities between tradition and Western values, new technology, and freedoms granted by the emerging democracy, and by the civic practice of democracy itself. Conceptually the new belongs to the young, and yet limited health and educational resources are available to modulate and focus both threats and opportunities. Using the analogy of the spirit banner of the warrior, it is the young as the warriors of the 21st century who have the energy and investment in the future that will be needed to shepherd this change. Both personal and public health, within the context of development, the psychobiological model, and the political and social ecology will be strong determinants of success. It is a parallel investment in both youth and the ideals they represent that will ensure success for the new Mongolia.

  19. Alternative fuel transit buses: The Pierce Transit Success Story

    SciTech Connect

    1996-10-01

    The Pierce transit program for operating mass transit buses on compressed natural gas (CNG) is described. Cost, reliability, fuel efficiency, emission of combustion products, and future trends are discussed.

  20. Electron impact excitation of Mg VIII . Collision strengths, transition probabilities and theoretical EUV and soft X-ray line intensities for Mg VIII

    NASA Astrophysics Data System (ADS)

    Grieve, M. F. R.; Ramsbottom, C. A.; Keenan, F. P.

    2013-08-01

    Context. Mg viii emission lines are observed in a range of astronomical objects such as the Sun, other cool stars and in the coronal line region of Seyfert galaxies. Under coronal conditions Mg viii emits strongly in the extreme ultraviolet (EUV) and soft X-ray spectral regions which makes it an ideal ion for plasma diagnostics. Aims: Two theoretical atomic models, consisting of 125 fine structure levels, are developed for the Mg viii ion. The 125 levels arise from the 2s22p, 2s2p2, 2p3, 2s23s, 2s23p, 2s23d, 2s2p3s, 2s2p3p, 2s2p3d, 2p23s, 2p23p and 2p23d configurations. Electron impact excitation collision strengths and radiative transition probabilities are calculated for both Mg viii models, compared with existing data, and the best model selected to generate a set of theoretical emission line intensities. The EUV lines, covering 312-790 Å, are compared with existing solar spectra (SERTS-89 and SUMER), while the soft X-ray transitions (69-97 Å) are examined for potential density diagnostic line ratios and also compared with the limited available solar and stellar observational data. Methods: The R-matrix codes Breit-Pauli RMATRXI and RMATRXII are utilised, along with the PSTGF code, to calculate the collision strengths for two Mg viii models. Collision strengths are averaged over a Maxwellian distribution to produce the corresponding effective collision strengths for use in astrophysical applications. Transition probabilities are also calculated using the CIV3 atomic structure code. The best data are then incorporated into the modelling code CLOUDY and line intensities generated for a range of electron temperatures and densities appropriate to solar and stellar coronal plasmas. Results: The present effective collision strengths are compared with two previous calculations. Good levels of agreement are found with the most recent, but there are large differences with the other for forbidden transitions. The resulting line intensities compare favourably with the

  1. Radiative transitions involving the (2p2)(3 Pe) metastable autodetaching of H(-)

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.; Bhatia, A. K.; Temkin, A.

    1974-01-01

    The absorption coefficient for the free-bound transition H (ls) + e(-)+ h omega yields H(-)(2 sq p,(3)P(e)) is calculated (together with the differential emission rate for the inverse process) using ls - 2s - 2p close coupling continuum wave functions and a Hylleraas bound state wave function. A maximum in the absorption and emission spectra is found to occur at a photon wavelength of 1219.5 A, which is 2 A closer to the Lyman alpha line than predicted by the calculations of Drake, and is in closer agreement with the stellar absorption feature identified by Heap and Stecher. The free-bound absorption process appears to be a significant source of continuous ultraviolet opacity.

  2. Assessment for Transitions Planning. PRO-ED Series on Transition.

    ERIC Educational Resources Information Center

    Clark, Gary M.

    Part of a series designed to provide practical resources for transition personnel on a variety of topics essential to the process of preparing individuals with disabilities for adulthood, this guide focuses on assessment for transition planning. Chapter 1, "Transitions Assessment: What Do We Need To Know about Students and Why?," discusses the…

  3. Transitions: exploring the frontier.

    PubMed

    Corless, Inge B

    End-of-life experiences go by various terms, including near-death experiences (NDEs), death bed visions, death bed phenomena, death bed coincidences, and nearing death awareness. Death bed escorts is the term applied to the vision of deceased family members or friends who inform the dying person that they will be accompanied in the transition from life. In this article, I examine the subject of NDEs and death bed escorts, starting with the rich body of work provided by Robert and Beatrice Kastenbaum. A subject of some interest to Robert Kastenbaum, he explored this frontier in his many writings on dying, death, and bereavement. Ever the pioneer and having made the ultimate transition, he may yet be exploring new frontiers.

  4. High speed transition prediction

    NASA Technical Reports Server (NTRS)

    Gasperas, Gediminis

    1993-01-01

    The main objective of this work period was to develop, maintain and exercise state-of-the-art methods for transition prediction in supersonic flow fields. Basic state and stability codes, acquired during the last work period, were exercised and applied to calculate the properties of various flowfields. The development of a code for the prediction of transition location using a currently novel method (the PSE or Parabolized Stability Equation method), initiated during the last work period and continued during the present work period, was cancelled at mid-year for budgetary reasons. Other activities during this period included the presentation of a paper at the APS meeting in Tallahassee, Florida entitled 'Stability of Two-Dimensional Compressible Boundary Layers', as well as the initiation of a paper co-authored with H. Reed of the Arizona State University entitled 'Stability of Boundary Layers'.

  5. Emergence and Phase Transitions

    NASA Astrophysics Data System (ADS)

    Sikkema, Arnold

    2006-05-01

    Phase transitions are well defined in physics through concepts such as spontaneous symmetry breaking, order parameter, entropy, and critical exponents. But emergence --- also exhibiting whole-part relations (such as top-down influence), unpredictability, and insensitivity to microscopic detail --- is a loosely-defined concept being used in many disciplines, particularly in psychology, biology, philosophy, as well as in physics[1,2]. I will review the concepts of emergence as used in the various fields and consider the extent to which the methods of phase transitions can clarify the usefulness of the concept of emergence both within the discipline of physics and beyond.1. Robert B. Laughlin, A Different Universe: Reinventing Physics from the Bottom Down (New York: Basic Books, 2005). 2. George F.R. Ellis, ``Physics and the Real World'', Physics Today, vol. 58, no. 7 (July 2005) pp. 49-54.

  6. Internet Protocol Transition Workbook

    DTIC Science & Technology

    1982-03-01

    i~yif.al Pi.y~iiy wi -! b , ..aye meaning. U [Page il March 1982 Internet Protocol Transition Workbook CONTACTS ARPANET MANAGEMENT. POLICY, AND SERVICE...C) September 1981 Internet Protocol Example 2: In this example, we show fi -st a moderate size internet datagram (452 data octets), then two...00111100. fI Note that the assumed maximum segment lifetime is two minutes. Here we explicitly ask that a segment be destroyed if it cannot be delivered by

  7. Nigeria in Political Transition

    DTIC Science & Technology

    2005-06-03

    General Sani Abacha, the military leader who took power in Nigeria in 1993, died of a reported heart attack and was replaced by General Abdulsalam...Abubakar. On July 7, 1998, Moshood Abiola, the believed winner of the 1993 presidential election, also died of a heart attack during a meeting with U.S...as the most serious and effective effort in decades. Transition to Civilian Rule Abacha died, reportedly of a heart attack , on June 8, 1998. The

  8. High speed transition prediction

    NASA Technical Reports Server (NTRS)

    Gasperas, Gediminis

    1992-01-01

    The main objective of this work period was to develop, acquire and apply state-of-the-art tools for the prediction of transition at high speeds at NASA Ames. Although various stability codes as well as basic state codes were acquired, the development of a new Parabolized Stability Equation (PSE) code was minimal. The time that was initially allocated for development was used on other tasks, in particular for the Leading Edge Suction problem, in acquiring proficiency in various graphics tools, and in applying these tools to evaluate various Navier-Stokes and Euler solutions. The second objective of this work period was to attend the Transition and Turbulence Workshop at NASA Langley in July and August, 1991. A report on the Workshop follows. From July 8, 1991 to August 2, 1991, the author participated in the Transition and Turbulence Workshop at NASA Langley. For purposes of interest here, analysis can be said to consist of solving simplified governing equations by various analytical methods, such as asymptotic methods, or by use of very meager computer resources. From the composition of the various groups at the Workshop, it can be seen that analytical methods are generally more popular in Great Britain than they are in the U.S., possibly due to historical factors and the lack of computer resources. Experimenters at the Workshop were mostly concerned with subsonic flows, and a number of demonstrations were provided, among which were a hot-wire experiment to probe the boundary layer on a rotating disc, a hot-wire rake to map a free shear layer behind a cylinder, and the use of heating strips on a flat plate to control instability waves and consequent transition. A highpoint of the demonstrations was the opportunity to observe the rather noisy 'quiet' supersonic pilot tunnel in operation.

  9. Transition Region Flows

    NASA Astrophysics Data System (ADS)

    Brekke, P.; Murdin, P.

    2000-11-01

    Ultraviolet emission lines emitted from the SOLAR TRANSITION REGION are often shifted from their expected rest wavelengths. Shifts of spectral lines are due to the so-called DOPPLER EFFECT, where the source of emission is moving either away from or towards the observer, causing a change in the apparent wavelength. The shifted emission lines are most often interpreted as a flow of plasma along ...

  10. Stimulated coherent transition radiation

    SciTech Connect

    Hung-chi Lihn

    1996-03-01

    Coherent radiation emitted from a relativistic electron bunch consists of wavelengths longer than or comparable to the bunch length. The intensity of this radiation out-numbers that of its incoherent counterpart, which extends to wavelengths shorter than the bunch length, by a factor equal to the number of electrons in the bunch. In typical accelerators, this factor is about 8 to 11 orders of magnitude. The spectrum of the coherent radiation is determined by the Fourier transform of the electron bunch distribution and, therefore, contains information of the bunch distribution. Coherent transition radiation emitted from subpicosecond electron bunches at the Stanford SUNSHINE facility is observed in the far-infrared regime through a room-temperature pyroelectric bolometer and characterized through the electron bunch-length study. To measure the bunch length, a new frequency-resolved subpicosecond bunch-length measuring system is developed. This system uses a far-infrared Michelson interferometer to measure the spectrum of coherent transition radiation through optical autocorrelation with resolution far better than existing time-resolved methods. Hence, the radiation spectrum and the bunch length are deduced from the autocorrelation measurement. To study the stimulation of coherent transition radiation, a special cavity named BRAICER is invented. Far-infrared light pulses of coherent transition radiation emitted from electron bunches are delayed and circulated in the cavity to coincide with subsequent incoming electron bunches. This coincidence of light pulses with electron bunches enables the light to do work on electrons, and thus stimulates more radiated energy. The possibilities of extending the bunch-length measuring system to measure the three-dimensional bunch distribution and making the BRAICER cavity a broadband, high-intensity, coherent, far-infrared light source are also discussed.

  11. The Myths of Mass Transit.

    ERIC Educational Resources Information Center

    Burke, Catherine G.

    1982-01-01

    Criticizes eight commonly held notions about the value of mass transit systems in public transportation programs. Alternative approaches for improving the quality and quantity of urban transit systems are discussed. (AM)

  12. Youths Transitioning as Adult Learners

    ERIC Educational Resources Information Center

    Davis, C. Amelia

    2014-01-01

    This chapter considers how transitions to adulthood have been historically represented and presents alternative ways of thinking about transitions to adulthood through the context of adult basic education programs.

  13. Psychological Aspects of Transitive Verbs

    ERIC Educational Resources Information Center

    Polzella, Donald J.; Rohrman, Nicholas L.

    1970-01-01

    The experiments reported here confirmed the findings of earlier researchers that transitive verbs are more difficult to recall than intransitive ones and furthermore established a close relationship between transitive verbs and nouns. Implications for linguistic theory are discussed. (FB)

  14. The Myths of Mass Transit.

    ERIC Educational Resources Information Center

    Burke, Catherine G.

    1982-01-01

    Criticizes eight commonly held notions about the value of mass transit systems in public transportation programs. Alternative approaches for improving the quality and quantity of urban transit systems are discussed. (AM)

  15. Transitional Programs: Boom or Bane?

    ERIC Educational Resources Information Center

    Brewer, Jo Ann

    1990-01-01

    Discusses the maturationist, behaviorist, and cognitive interactionist views of transitional programs. Research on transitional programs and possible effects of such programs on kindergarten and first grade classes is discussed. (BG)

  16. Dynamic rigidity transition

    NASA Astrophysics Data System (ADS)

    Åström, J. A.; Latva-Kokko, M.; Timonen, J.

    2003-01-01

    An inflated closed loop (or membrane) is used to demonstrate a dynamic rigidity transition that occurs when impact energy is added to the loop in static equilibrium at zero temperature. The only relevant parameter in this transition is the ratio of the energy needed to collapse the loop and the impact energy. When this ratio is below a threshold value close to unity, the loop collapses into a high-entropy floppy state, and it does not return to the rigid state unless the impact energy can escape. The internal oscillations are in the floppy state dominated by 1/f2 noise. When the ratio is above the threshold, the loop does not collapse, and the internal oscillations resulting from the impact are dominated by the eigenfrequencies of the stretched membrane. In this state, the loop can bounce for a long time. It is still an open question whether bouncing will eventually vanish or whether a stationary bouncing state will be reached. The dynamic transition between the floppy and the rigid state is discontinuous.

  17. Transition mixing study

    NASA Technical Reports Server (NTRS)

    Reynolds, R.; White, C.

    1986-01-01

    A computer model capable of analyzing the flow field in the transition liner of small gas turbine engines is developed. A FORTRAN code has been assembled from existing codes and physical submodels and used to predict the flow in several test geometries which contain characteristics similar to transition liners, and for which experimental data was available. Comparisons between the predictions and measurements indicate that the code produces qualitative results but that the turbulence models, both K-E and algebraic Reynolds Stress, underestimate the cross-stream diffusion. The code has also been used to perform a numerical experiment to examine the effect of a variety of parameters on the mixing process in transition liners. Comparisons illustrate that geometries with significant curvature show a drift of the jet trajectory toward the convex wall and weaker wake region vortices and decreased penetration for jets located on the convex wall of the liner, when compared to jets located on concave walls. Also shown were the approximate equivalency of angled slots and round holes and a technique by which jet mixing correlations developed for rectangular channels can be used for can geometries.

  18. NASA metric transition plan

    NASA Technical Reports Server (NTRS)

    1992-01-01

    NASA science publications have used the metric system of measurement since 1970. Although NASA has maintained a metric use policy since 1979, practical constraints have restricted actual use of metric units. In 1988, an amendment to the Metric Conversion Act of 1975 required the Federal Government to adopt the metric system except where impractical. In response to Public Law 100-418 and Executive Order 12770, NASA revised its metric use policy and developed this Metric Transition Plan. NASA's goal is to use the metric system for program development and functional support activities to the greatest practical extent by the end of 1995. The introduction of the metric system into new flight programs will determine the pace of the metric transition. Transition of institutional capabilities and support functions will be phased to enable use of the metric system in flight program development and operations. Externally oriented elements of this plan will introduce and actively support use of the metric system in education, public information, and small business programs. The plan also establishes a procedure for evaluating and approving waivers and exceptions to the required use of the metric system for new programs. Coordination with other Federal agencies and departments (through the Interagency Council on Metric Policy) and industry (directly and through professional societies and interest groups) will identify sources of external support and minimize duplication of effort.

  19. NASA metric transition plan

    NASA Astrophysics Data System (ADS)

    NASA science publications have used the metric system of measurement since 1970. Although NASA has maintained a metric use policy since 1979, practical constraints have restricted actual use of metric units. In 1988, an amendment to the Metric Conversion Act of 1975 required the Federal Government to adopt the metric system except where impractical. In response to Public Law 100-418 and Executive Order 12770, NASA revised its metric use policy and developed this Metric Transition Plan. NASA's goal is to use the metric system for program development and functional support activities to the greatest practical extent by the end of 1995. The introduction of the metric system into new flight programs will determine the pace of the metric transition. Transition of institutional capabilities and support functions will be phased to enable use of the metric system in flight program development and operations. Externally oriented elements of this plan will introduce and actively support use of the metric system in education, public information, and small business programs. The plan also establishes a procedure for evaluating and approving waivers and exceptions to the required use of the metric system for new programs. Coordination with other Federal agencies and departments (through the Interagency Council on Metric Policy) and industry (directly and through professional societies and interest groups) will identify sources of external support and minimize duplication of effort.

  20. Structural transitions in clusters.

    PubMed

    Hartke, Bernd

    2002-05-03

    If one adds more particles to a cluster, the energetically optimal structure is neither preserved nor does it change in a continuous fashion. Instead, one finds several cluster size regions where one structural principle dominates almost without exception, and rather narrow boundary regions in-between. The structure of the solid is usually reached only at relatively large sizes, after more than one structural transition. The occurrence of this general phenomenon of size-dependent structural transitions does not seem to depend on the nature of the particles, it is found for atomic, molecular, homogeneous, and heterogeneous clusters alike. Clearly, it is a collective many-body phenomenon which can in principle be calculated but not understood in a fully reductionistic manner. Actual calculations with sufficient accuracy are not feasible today, because of the enormous computational expense, even when unconventional evolutionary algorithms are employed for global geometry optimization. Therefore, simple rules for cluster structures are highly desirable. In fact, we are dealing here not just with the academic quest for linkages between cluster structure and features of the potential energy surface, but structural transitions in clusters are also of immediate relevance for many natural and industrial processes, ranging from crystal growth all the way to nanotechnology. This article provides an exemplary overview of research on this topic, from simple model systems where first qualitative explanations start to be successful, up to more realistic complex systems which are still beyond our understanding.

  1. Entranced by a Transit

    NASA Image and Video Library

    2015-08-31

    Saturn's moon Dione crosses the face of the giant planet in this view, a phenomenon astronomers call a transit. Transits play an important role in astronomy and can be used to study the orbits of planets and their atmospheres, both in our solar system and in others. By carefully timing and observing transits in the Saturn system, like that of Dione (698 miles or 1123 kilometers across), scientists can more precisely determine the orbital parameters of Saturn's moons. This view looks toward the unilluminated side of the rings from about 0.3 degrees below the ring plane. The image was taken in visible green light with the Cassini spacecraft narrow-angle camera on May 21, 2015. The view was acquired at a distance of approximately 1.4 million miles (2.3 million kilometers) from Saturn and at a Sun-Saturn-spacecraft, or phase, angle of 119 degrees. Image scale is 9 miles (14 kilometers) per pixel. http://photojournal.jpl.nasa.gov/catalog/PIA18330

  2. Column continuous transition functions

    NASA Astrophysics Data System (ADS)

    Li, Yangrong

    2007-04-01

    A column continuous transition function is by definition a standard transition function P(t) whose every column is continuous for t[greater-or-equal, slanted]0 in the norm topology of bounded sequence space l[infinity]. We will prove that it has a stable q-matrix and that there exists a one-to-one relationship between column continuous transition functions and increasing integrated semigroups on l[infinity]. Using the theory of integrated semigroups, we give some necessary and sufficient conditions under which the minimal q-function is column continuous, in terms of its generator (of the Markov semigroup) as well as its q-matrix. Furthermore, we will construct all column continuous Q-functions for a conservative, single-exit and column bounded q-matrix Q. As applications, we find that many interesting continuous-time Markov chains (CTMCs), say Feller-Reuter-Riley processes, monotone processes, birth-death processes and branching processes, etc., have column continuity.

  3. The transition to agricultural sustainability

    PubMed Central

    Ruttan, Vernon W.

    1999-01-01

    The transition to sustainable growth in agricultural production during the 21st century will take place within the context of a transition to a stable population and a possible transition to a stable level of material consumption. If the world fails to successfully navigate a transition to sustainable growth in agricultural production, the failure will be due more to a failure in the area of institutional innovation than to resource and environmental constraints. PMID:10339524

  4. Visual Analytics Technology Transition Progress

    SciTech Connect

    Scholtz, Jean; Cook, Kristin A.; Whiting, Mark A.; Lemon, Douglas K.; Greenblatt, Howard

    2009-09-23

    The authors provide a description of the transition process for visual analytic tools and contrast this with the transition process for more traditional software tools. This paper takes this into account and describes a user-oriented approach to technology transition including a discussion of key factors that should be considered and adapted to each situation. The progress made in transitioning visual analytic tools in the past five years is described and the challenges that remain are enumerated.

  5. Analyses of some exoplanets' transits and transit timing variations

    NASA Astrophysics Data System (ADS)

    Püsküllü, ćaǧlar; Soydugan, Faruk

    2017-02-01

    We present solutions of the transit light curves and transit timing variations (TTVs) analyses of the exoplanets HAT-P-5b, HAT-P-9b and HAT-P-25b. Transit light curves were collected at Çanakkale Onsekiz Mart University Observatory and TUBITAK National Observatory. The models were produced by WINFITTER program and stellar, planetary and orbital properties were obtained and discussed. We gave new transit times and generated TTVs with them by appending additional data based on Exoplanet Transit Database (ETD). Significant signals at the TTVs were also investigated.

  6. The Community Vocational Transition Center.

    ERIC Educational Resources Information Center

    Botterbusch, Karl F.; Smith, Christopher A.

    This monograph outlines a model procedure for developing and running a community vocational transition center that would assist workers in making various planned and unplanned vocational transitions throughout their lives by offering a comprehensive array of vocational assessment and transition services. The first chapter addresses the question of…

  7. Reconstructing Transition Knowledge in Taiwan

    ERIC Educational Resources Information Center

    Cheng, Chen-chen

    2012-01-01

    Taking a post-colonial stand and using school to work transition as an example, the author re-examines the special education discourses in Taiwan and attempts to construct alternate understandings of transition from sociological and cultural perspectives. A review of past transition literature and a survey of the educational background of the…

  8. Slow Transit Constipation.

    PubMed

    Wald, Arnold

    2002-08-01

    The diagnosis of slow transit functional constipation is based upon diagnostic testing of patients with idiopathic constipation who responded poorly to conservative measures such as fiber supplements, fluids, and stimulant laxatives. These tests include barium enema or colonoscopy, colonic transit of radio-opaque markers, anorectal manometry, and expulsion of a water-filled balloon. Plain abdominal films can identify megacolon, which can be further characterized by barium or gastrografin studies. Colonic transit of radio-opaque markers identifies patients with slow transit with stasis of markers in the proximal colon. However, anorectal function should be characterized to exclude outlet dysfunction, which may coexist with colonic inertia. Because slow colonic transit is defined by studies during which patients consume a high-fiber diet, fiber supplements are generally not effective, nor are osmotic laxatives that consist of unabsorbed sugars. Stimulant laxatives are considered first-line therapy, although studies often show a diminished colonic motor response to such agents. There is no evidence to suggest that chronic use of such laxatives is harmful if they are used two to three times per week. Polyethylene glycol with or without electrolytes may be useful in a minority of patients, often combined with misoprostol. I prefer to start with misoprostol 200 mg every other morning and increase to tolerance or efficacy. I see no advantage in prescribing misoprostol on a TID or QID basis or even daily because it increases cramping unnecessarily. This drug is not acceptable in young women who wish to become pregnant. An alternative may be colchicine, which is reported to be effective when given as 0.6 mg TID. Long-term efficacy has not been studied. Finally, biofeedback is a risk-free approach that has been reported as effective in approximately 60% of patients with slow transit constipation in the absence of outlet dysfunction. Although difficult to understand

  9. Alameda-Contra Costa Transit District (AC Transit) Fuel Cell Transit Buses: Preliminary Evaluation Results

    SciTech Connect

    Chandler, K.; Eudy, L.

    2007-03-01

    This report provides an evaluation of three prototype fuel cell-powered transit buses operating at AC Transit in Oakland, California, and six baseline diesel buses similar in design to the fuel cell buses.

  10. Condensation phase transitions in ferrofluids.

    PubMed

    Iskakova, L Yu; Smelchakova, G A; Zubarev, A Yu

    2009-01-01

    Experiments show that under suitable conditions magnetic particles in ferrofluids and other polar suspensions undergo condensation phase transitions and form dense liquidlike or solidlike phases. The problem of fundamental features and scenarios of the phase transitions is one of the central problems of the physics of these systems. This work deals with the theoretical study of scenarios of condensation phase transitions in ferrofluids, consisting of identical magnetic particles. Our results show that, unlike the classical condensation phase transitions, the appearance of the linear chains precedes the magnetic particle bulk condensation. The effect of the chains on the diagrams of the equilibrium phase transitions is studied.

  11. Transition in Turbine Flows

    NASA Technical Reports Server (NTRS)

    Herbert, Thorwald

    1998-01-01

    We have further developed our capabilities to analyze transition in turbine boundary layers from first principles by integrating the nonlinear parabolized stability equations (PSE) with improved initial and boundary conditions. With modified iteration schemes, we are able to proceed deeper into the transition region where skin friction coefficient and heat transfer coefficient significantly increase. Initial and boundary conditions at elevated turbulence levels can be derived by receptivity analysis. Test runs for ERCOFTAC test case T3A at 2.4\\% turbulence level provide results in good agreement with the experimental data. The sharper minimum of the skin coefficient also shown by DNS results is likely due to the missing intermittency. The method has been applied to various experimentally studied turbine blades (UTRC, VKI, Zierke, Langston, Hippensteele, and others). The PSE results, though physically reasonable, do not agree as well as expected with the experimental findings. We have, therefore, performed an extensive search for the reasons of the seemingly systematic deviations. A first source of uncertainty has been found in the often insufficient documentation of the experiments (e.g. on blockage by end-wall boundary layers). However, variation of the relevant parameters does not lead to more satisfactory agreement. A second reason has been found in the "standard procedure" which considers a 2D flow at midspan and uses a panel code and subsequent boundary-layer code to obtain the laminar basic flow for the transition analysis. Comparison with the pressure distribution obtained with a 3D design code (RVC3D) shows significant three-dimensionality of the flow (e.g. in the UTRC experiments). The spanwise variation has been neglected in our original PSE code. To overcome this problem, we have developed the PSE/3D for fully 3D boundary layers to account for streamwise and spanwise variations. Since the design code does not provide the boundary-layer flow with

  12. A translational evaluation of transitions.

    PubMed

    Jessel, Joshua; Hanley, Gregory P; Ghaemmaghami, Mahshid

    2016-06-01

    Transitions with nonhuman animals are typically framed as inescapable changes in signaled reinforcement schedules that result in a pause in responding unique to switches from rich to lean schedules. Pausing is considered to be a function of the aversive qualities of the contrasting reinforcement schedules. Transitions are typically framed in applied research as physical changes in location that evoke problem behavior maintained by the escape of an aversive event or resumption of a preferred event. We attempted to extend the basic framing of transitions to behaviors and contexts of social significance and evaluate a novel treatment for the problem of dawdling by 3 boys who had been diagnosed with autism spectrum disorder during rich-to-lean transitions. Dawdling during physical transitions was most readily observed when transitioning to lean contexts in Experiment 1. We then shortened transition duration in Experiment 2 by programming unsignaled and probabilistic rich reinforcement in the upcoming context.

  13. Pivotal Transitions - Historical and Today

    NASA Astrophysics Data System (ADS)

    Hurley, M.

    2008-08-01

    The goal of this paper is to enable readers to better "design" successful transitions that move Science and Technology or Research and Development (S&T/R&D) technologies and systems into operational capabilities for users. Transitions from S&T/R&D into acquisition and operations are challenging and critical to providing capab ilities to end users. Two historical examples, the Global Positioning System (GPS) and the Disaster Monitoring Constellation (DMC), are explored. Two current examples are also explored, including one from Operationally Responsive Space (ORS) which is in th e early stages of transition. While transitions are necessary, transition periods are inherently challenging and dynamically changing situations. These situations must be carefully managed and led in order to succeed. Characteristics, approaches, and incentives that foster effective transitions are discussed. Understanding the transition process and the communities involved allows one to maximize the chance of successfully moving an S&T/R&D development into an operational capability supporting end users.

  14. MINEHOUND: transition to production

    NASA Astrophysics Data System (ADS)

    Daniels, David J.; Curtis, Paul; Hunt, Nigel; Braunstein, Jürgen; Merz, Armin

    2007-04-01

    The UK Department for International Development (DfID), in collaboration with the German Foreign Ministry (Auswärtiges Amt), contracted ERA Technology to carry out extensive field trials in Cambodia, Bosnia and Angola of an advanced technology, dual sensor, and hand-held landmine detector system called MINEHOUND TM. This detector combines a metal detector with a Ground Penetrating Radar (GPR). As a result of extremely successful trials MINEHOUND TM was developed as a product by ERA Technology and Vallon GmbH and has been available for sale since late 2006. This paper describes the transition to production of the detector.

  15. Transition Metal Switchable Mirror

    SciTech Connect

    2009-01-01

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft. More information at: http://windows.lbl.gov/materials/chromogenics/default.htm

  16. Transition Metal Switchable Mirror

    SciTech Connect

    2009-08-21

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft.

  17. Transition Metal Switchable Mirror

    ScienceCinema

    None

    2016-07-12

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft.

  18. Transition Metal Switchable Mirror

    ScienceCinema

    None

    2016-07-12

    The switchable-mirrors technology was developed by Tom Richardson and Jonathan Slack of Berkeley Lab's Environmental Energy Technologies Division. By using transition metals rather than the rare earth metals used in the first metal-hydride switchable mirrors, Richardson and Slack were able to lower the cost and simplify the manufacturing process. Energy performance is improved as well, because the new windows can reflect or transmit both visible and infrared light. Besides windows for offices and homes, possible applications include automobile sunroofs, signs and displays, aircraft windows, and spacecraft. More information at: http://windows.lbl.gov/materials/chromogenics/default.htm

  19. Transition Path Theory

    NASA Astrophysics Data System (ADS)

    vanden-Eijnden, E.

    The dynamical behavior of many systems arising in physics, chemistry, biology, etc. is dominated by rare but important transition events between long lived states. For over 70 years, transition state theory (TST) has provided the main theoretical framework for the description of these events [17,33,34]. Yet, while TST and evolutions thereof based on the reactive flux formalism [1, 5] (see also [30,31]) give an accurate estimate of the transition rate of a reaction, at least in principle, the theory tells very little in terms of the mechanism of this reaction. Recent advances, such as transition path sampling (TPS) of Bolhuis, Chandler, Dellago, and Geissler [3, 7] or the action method of Elber [15, 16], may seem to go beyond TST in that respect: these techniques allow indeed to sample the ensemble of reactive trajectories, i.e. the trajectories by which the reaction occurs. And yet, the reactive trajectories may again be rather uninformative about the mechanism of the reaction. This may sound paradoxical at first: what more than actual reactive trajectories could one need to understand a reaction? The problem, however, is that the reactive trajectories by themselves give only a very indirect information about the statistical properties of these trajectories. This is similar to why statistical mechanics is not simply a footnote in books about classical mechanics. What is the probability density that a trajectory be at a given location in state-space conditional on it being reactive? What is the probability current of these reactive trajectories? What is their rate of appearance? These are the questions of interest and they are not easy to answer directly from the ensemble of reactive trajectories. The right framework to tackle these questions also goes beyond standard equilibrium statistical mechanics because of the nontrivial bias that the very definition of the reactive trajectories imply - they must be involved in a reaction. The aim of this chapter is to

  20. 309 Building transition plan

    SciTech Connect

    Graves, C.E.

    1994-08-31

    The preparation for decontamination and decommissioning (transition) of the 309 Building is projected to be completed by the end of the fiscal year (FY) 1998. The major stabilization and decontamination efforts include the Plutonium Recycle Test Reactor (PRTR), fuel storage and transfer pits, Transfer Waste (TW) tanks and the Ion Exchange Vaults. In addition to stabilizing contaminated areas, equipment, components, records, waste products, etc., will be dispositioned. All nonessential systems, i.e., heating, ventilation, and air conditioning (HVAC), electrical, monitoring, fluids, etc., will be shut down and drained/de-energized. This will allow securing of the process, laboratory, and office areas of the facility. After that, the facility will be operated at a level commensurate with its surveillance needs while awaiting D&D. The implementation costs for FY 1995 through FY 1998 for the transition activities are estimated to be $1,070K, $2,115K, $2,939K, and $4,762K, respectively. Costs include an assumed company overhead of 20% and a 30% out year contingency.

  1. Planet Demographics from Transits

    NASA Astrophysics Data System (ADS)

    Howard, Andrew

    2015-08-01

    From the demographics of planets detected by the Kepler mission, we have learned that there exists approximately one planet per star for planets larger than Earth orbiting inside of 1 AU. We have also learned the relative occurrence of these planets as a function of their orbital periods, sizes, and host star masses and metallicities. In this talk I will review the key statistical findings that the planet size distribution peaks in the range 1-3 times Earth-size, the orbital period distribution is characterized by a power-law cut off at short periods, small planets are more prevalent around small stars, and that approximately 20% of Sun-like stars hosts a planet 1-2 times Earth-size in a habitable zone. Looking forward, I will describe analysis of photometry from the K2 mission that is yielding initial planet discoveries and offering the opportunity to measure planet occurrence in widely separated regions of the galaxy. Finally, I will also discuss recent techniques to discover transiting planets in space-based photometry and to infer planet population properties from the ensemble of detected and non-detected transit signals.

  2. Physicians in transition.

    PubMed

    Bluestein, P

    1995-12-01

    The study of physicians as managed care executives has been relatively recent. Much of what was written in the past focused primarily on doctors who had taken hospital-based administrative positions, especially as medical directors or vice presidents of medical affairs.1 But the '80s brought rising health care costs and the emergence of the "O's"--HMOs, PPOs, UROs, EPOs, PHOs, H2Os, and Uh-Ohs--in response. It also brought a growing number of physicians who traded their white coats and their particular "ologies" for the blue suits of executive management. I am convinced that it is important now, and will be increasingly important in the future, to better understand that transition. That belief led me to undertake, with the help and support of ACPE, the survey that is reported in this article. A questionnaire was sent in 1994 to a random sample of 300 managed care physician executive members of ACPE. Responses were returned by 225 members, a response rate of better than 80 percent. Twenty-five of the responses were not applicable, having been returned by physicians who had never made a transition from clinical careers. The remaining 230 responses form the basis for this report.

  3. Venus - Transitional Crater

    NASA Image and Video Library

    1996-10-23

    During orbits 423 through 424 on 22 September 1990, NASA's Magellan imaged this impact crater that is located at latitude 10.7 degrees north and longitude 340.7 degrees east. This crater is shown as a representative of Venusian craters that are of the proper diameter (about 15 kilometers) to be 'transitional' in their morphology between 'complex' and irregular' craters. Complex craters account for about 96 percent of all craters on Venus with diameters larger than about 15 kilometers; they are thought to have been formed by the impact of a large, more or less intact, mass of asteroidal material that has not been excessively effected during its passage through the dense Venusian atmosphere. Complex craters are characterized by circular rims, terraced inner wall slopes, well developed ejecta deposits, and flat floors with a central peak or peak ring. Irregular craters make up about 60 percent of the craters with diameters less than about 15 kilometers. Irregular craters are thought to form as the result of the impact of asteroidal projectiles that have been aerodynamically crushed and fragmented during their passage through the atmosphere. Irregular craters are characterized by irregular and/or discontinuous rims and hummocky or multiple floors. The 'transitional' crater shown here has a somewhat circular rim like larger complex craters, but has the hummocky floor and asymmetric ejecta characteristic of smaller irregular craters. http://photojournal.jpl.nasa.gov/catalog/PIA00468

  4. SDO Transit, September 2015

    NASA Image and Video Library

    2015-09-13

    On Sept. 13, 2015, as NASA's Solar Dynamics Observatory, or SDO, kept up its constant watch on the sun, its view was photobombed not once, but twice. Just as the moon came into SDO's field of view on a path to cross the sun, Earth entered the picture, blocking SDO's view completely. When SDO's orbit finally emerged from behind Earth, the moon was just completing its journey across the sun's face. Though SDO sees dozens of Earth eclipses and several lunar transits each year, this is the first time ever that the two have coincided. SDO's orbit usually gives us unobstructed views of the sun, but Earth's revolution around the sun means that SDO's orbit passes behind Earth twice each year, for two to three weeks at a time. During these phases, Earth blocks SDO's view of the sun for anywhere from a few minutes to over an hour once each day. Earth's outline looks fuzzy, while the moon's is crystal-clear. This is because-while the planet itself completely blocks the sun's light-Earth's atmosphere is an incomplete barrier, blocking different amounts of light at different altitudes. However, the moon has no atmosphere, so during the transit we can see the crisp edges of the moon's horizon. http://photojournal.jpl.nasa.gov/catalog/PIA19949

  5. Spectral lines behavior of Be I and Na I isoelectronic sequence in Debye plasma environment

    NASA Astrophysics Data System (ADS)

    Chaudhuri, Rajat K.; Chattopadhyay, Sudip; Sinha Mahapatra, Uttam

    2012-08-01

    We report the plasma screening effect on the first ionization potential (IP) and [He]2s2(1S0)→[He]2s2p /2s3p allowed (P11) and inter-combination transitions (P31) in some selected Be-like ions. In addition, we investigate the spectral properties of [Ne]3s (2S1/2)→[Ne]np(2P1/2 and P23/2 for n = 3, 4) transitions in Ca X and Fe XVI ions (Na I isoelectronic sequence) and [He]3s(2S1/2)→[He]np(2P1/2 and P23/2 for n = 2, 3) transitions in Li, B II, and N IV (Li I isoelectronic sequence) under plasma environment. The state-of-the-art relativistic coupled cluster calculations using the Debye model of plasma for electron-nucleus interaction show that (a) the ionization potential decreases sharply with increasing plasma strength and (b) the gap between the [He]2s2(1S0)→[He]2s2p(1,3P1) energy levels increases with increasing plasma potential and nuclear charge. It is found that the [He]2s2 (1S0)→2s3p(1,3P1) transition energy decreases uniformly with increasing plasma potential and nuclear charge. In other words, the spectral lines associated with 2s-2p (i.e., Δn=0, where n corresponds to principle quantum number) transitions in Be I isoelectronic sequence exhibit a blue-shift (except for Be I, B II, and the lowest inter-combination line in C III, which exhibit a red-shift), whereas those associated with 2s-3p (i.e., Δn≠0) transitions are red-shifted. Similar trend is observed in Li I and Na I isoelectronic sequences, where spectral lines associated with Δn=0 (Δn≠0) are blue-shifted (red-shifted). The effect of Coulomb screening on the spectral lines of ions subjected to plasma is also addressed.

  6. Transit Timing Study of Kepler Planets

    NASA Astrophysics Data System (ADS)

    Xie, Jiwei

    2015-08-01

    Kepler space telescope has found over 4000 transiting planet candidates. Transit timing is a powerful tool to study these transit planet candidates. In this talk, I will talk about two transit timing techniques, i.e., transit timing variation (TTV) and transit duration (TD), which enable confirming their planetary nature and obtaining insight into their orbital properties.

  7. Partnership Transitions and Maternal Parenting

    PubMed Central

    Beck, Audrey N.; Cooper, Carey E.; McLanahan, Sara; Brooks-Gunn, Jeanne

    2011-01-01

    We use data from the Fragile Families and Child Wellbeing Study (N = 1,975) to examine the association between mothers’ partnership changes and parenting behavior during the first five years of their children’s lives. We compare coresidential with dating transitions, and recent with more distal transitions. We also examine interactions between transitions and race/ethnicity, maternal education and family structure at birth. Findings indicate that both coresidential and dating transitions were associated with higher levels of maternal stress and harsh parenting; recent transitions had stronger associations than distal transitions. Maternal education significantly moderates these associations, with less educated mothers responding more negatively to instability in terms of maternal stress, and more educated mothers responding more negatively in terms of literacy activities. PMID:21423848

  8. VizieR Online Data Catalog: Energies & radiative transition from ArXII to ZnXXIV (Wang+, 2016)

    NASA Astrophysics Data System (ADS)

    Wang, K.; Si, R.; Dang, W.; Jonsson, P.; Guo, X. L.; Li, S.; Chen, Z. B.; Zhang, H.; Long, F. Y.; Liu, H. T.; Li, D. F.; Hutton, R.; Chen, C. Y.; Yan, J.

    2016-04-01

    Combined relativistic configuration interaction and many-body perturbation calculations are performed for the 359 fine-structure levels of the 2s22p3, 2s2p4, 2p5, 2s22p23l, 2s2p33l, 2p43l, and 2s22p24l configurations in N-like ions from Ar XII to Zn XXIV. Complete and consistent data sets of energies, wavelengths, radiative rates, oscillator strengths, and line strengths for all possible electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among the 359 levels are given for each ion. The present work significantly increases the amount of accurate data for ions in the nitrogen-like sequence, and the accuracy of the energy levels is high enough to enable the identification and interpretation of observed spectra involving the n=3, 4 levels, for which experimental values are largely scarce. Meanwhile, the results should be of great help for modeling and diagnosing astrophysical and fusion plasmas. (2 data files).

  9. CALCULATIONS WITH SPECTROSCOPIC ACCURACY: ENERGIES AND TRANSITION RATES IN THE NITROGEN ISOELECTRONIC SEQUENCE FROM Ar XII TO Zn XXIV

    SciTech Connect

    Wang, K.; Dang, W.; Si, R.; Guo, X. L.; Hutton, R.; Chen, C. Y.; Jönsson, P.; Li, S.; Zhang, H.; Long, F. Y.; Liu, H. T.; Li, D. F.; Yan, J.; Chen, Z. B. E-mail: chychen@fudan.edu.cn

    2016-03-15

    Combined relativistic configuration interaction and many-body perturbation calculations are performed for the 359 fine-structure levels of the 2s{sup 2} 2p{sup 3}, 2 s2p{sup 4}, 2p{sup 5}, 2s{sup 2} 2p{sup 2} 3l, 2 s2p{sup 3} 3l, 2p{sup 4} 3l, and 2s{sup 2} 2p{sup 2} 4l configurations in N-like ions from Ar xii to Zn xxiv. Complete and consistent data sets of energies, wavelengths, radiative rates, oscillator strengths, and line strengths for all possible electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among the 359 levels are given for each ion. The present work significantly increases the amount of accurate data for ions in the nitrogen-like sequence, and the accuracy of the energy levels is high enough to enable the identification and interpretation of observed spectra involving the n = 3, 4 levels, for which experimental values are largely scarce. Meanwhile, the results should be of great help for modeling and diagnosing astrophysical and fusion plasmas.

  10. Pubertal transitions in health.

    PubMed

    Patton, George C; Viner, Russell

    2007-03-31

    Puberty is accompanied by physical, psychological, and emotional changes adapted to ensure reproductive and parenting success. Human puberty stands out in the animal world for its association with brain maturation and physical growth. Its effects on health and wellbeing are profound and paradoxical. On the one hand, physical maturation propels an individual into adolescence with peaks in strength, speed, and fitness. Clinicians have viewed puberty as a point of maturing out of childhood-onset conditions. However, puberty's relevance for health has shifted with a modern rise in psychosocial disorders of young people. It marks a transition in risks for depression and other mental disorders, psychosomatic syndromes, substance misuse, and antisocial behaviours. Recent secular trends in these psychosocial disorders coincide with a growing mismatch between biological and social maturation, and the emergence of more dominant youth cultures.

  11. Phases and Phase Transitions

    NASA Astrophysics Data System (ADS)

    Gitterman, Moshe

    2014-09-01

    In discussing phase transitions, the first thing that we have to do is to define a phase. This is a concept from thermodynamics and statistical mechanics, where a phase is defined as a homogeneous system. As a simple example, let us consider instant coffee. This consists of coffee powder dissolved in water, and after stirring it we have a homogeneous mixture, i.e., a single phase. If we add to a cup of coffee a spoonful of sugar and stir it well, we still have a single phase -- sweet coffee. However, if we add ten spoonfuls of sugar, then the contents of the cup will no longer be homogeneous, but rather a mixture of two homogeneous systems or phases, sweet liquid coffee on top and coffee-flavored wet sugar at the bottom...

  12. Hybrid Electric Transit Bus

    NASA Technical Reports Server (NTRS)

    Viterna, Larry A.

    1997-01-01

    A government, industry, and university cooperative is developing an advanced hybrid electric city transit bus. Goals of this effort include doubling the fuel economy compared to current buses and reducing emissions to one-tenth of current EPA standards. Unique aspects of the vehicle's power system include the use of ultra-capacitors as an energy storage system, and a planned natural gas fueled turbogenerator developed from a small jet engine. Power from both the generator and energy storage system is provided to a variable speed electric motor attached to the rear axle. At over 15000 kg gross weight, this is the largest vehicle of its kind ever built using ultra-capacitor energy storage. This paper describes the overall power system architecture, the evolution of the control strategy, and its performance over industry standard drive cycles.

  13. Nonadiabatic transition path sampling

    NASA Astrophysics Data System (ADS)

    Sherman, M. C.; Corcelli, S. A.

    2016-07-01

    Fewest-switches surface hopping (FSSH) is combined with transition path sampling (TPS) to produce a new method called nonadiabatic path sampling (NAPS). The NAPS method is validated on a model electron transfer system coupled to a Langevin bath. Numerically exact rate constants are computed using the reactive flux (RF) method over a broad range of solvent frictions that span from the energy diffusion (low friction) regime to the spatial diffusion (high friction) regime. The NAPS method is shown to quantitatively reproduce the RF benchmark rate constants over the full range of solvent friction. Integrating FSSH within the TPS framework expands the applicability of both approaches and creates a new method that will be helpful in determining detailed mechanisms for nonadiabatic reactions in the condensed-phase.

  14. Different disciplines, different transitions

    NASA Astrophysics Data System (ADS)

    Wood, Leigh; Solomonides, Ian

    2008-09-01

    There is not just one mathematics taught at university level, nor is there one group of students. Mathematics is taught differently depending on the discipline and the perceived background of the student. There is engineering mathematics for the students heading towards engineering degrees, life science mathematics for those heading towards biology degrees and so on. This paper considers the phases of transitions that students experience as they embark on a course of study and then go on to professional life. We make inferences about the ways the curriculum should be designed to alleviate the difficulties of these phases as well as to take account of the capabilities that graduates will require in the workplace. It is not only where students are coming from that affects their learning but where they are heading to, in combination with their perceptions of that destination.

  15. The ``Venus Transit Experience''

    NASA Astrophysics Data System (ADS)

    Boffin, H.; West, R.

    2004-12-01

    On November 5-7, 2004, an unusual conference took place at the French Ministry of Research in Paris. Entitled the “Venus Transit Experience”, this meeting was organised by the VT-2004 International Steering Committee (ISC) and the local arrangements were ably taken care of by the staff of the IMCCE and the Observatoire de Paris, with Jean-Eudes Arlot and William Thuillot at the helm. It brought together more than 150 persons connected to the VT-2004 programme. The aim was to sum up the vast experience gained through this unique public education programme and, in particular, to perform an evaluation of its many components. On the first day, more than 50 students from the Paris areas who participated actively in this programme were also present.

  16. Mercury Transit (Composite Image)

    NASA Image and Video Library

    2017-09-28

    On May 9, 2016, Mercury passed directly between the sun and Earth. This event – which happens about 13 times each century – is called a transit. NASA’s Solar Dynamics Observatory, or SDO, studies the sun 24/7 and captured the entire seven-and-a-half-hour event. This composite image of Mercury’s journey across the sun was created with visible-light images from the Helioseismic and Magnetic Imager on SDO. Image Credit: NASA's Goddard Space Flight Center/SDO/Genna Duberstein NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Like us on Facebook Find us on Instagram

  17. Transition in hypersonic boundary layers

    NASA Astrophysics Data System (ADS)

    Zhang, Chuanhong; Zhu, Yiding; Chen, Xi; Yuan, Huijing; Wu, Jiezhi; Chen, Shiyi; Lee, Cunbiao; Gad-el-Hak, Mohamed

    2015-10-01

    Transition and turbulence production in a hypersonic boundary layer is investigated in a Mach 6 wind tunnel using Rayleigh-scattering visualization, fast-response pressure measurements, and particle image velocimetry. It is found that the second-mode instability is a key modulator of the transition process. Although the second-mode is primarily an acoustic wave, it causes the formation of high-frequency vortical waves, which triggers a fast transition to turbulence.

  18. Quantum phase transition in space

    SciTech Connect

    Damski, Bogdan; Zurek, Wojciech H

    2008-01-01

    A quantum phase transition between the symmetric (polar) phase and the phase with broken symmetry can be induced in a ferromagnetic spin-1 Bose-Einstein condensate in space (rather than in time). We consider such a phase transition and show that the transition region in the vicinity of the critical point exhibits scalings that reflect a compromise between the rate at which the transition is imposed (i.e., the gradient of the control parameter) and the scaling of the divergent healing length in the critical region. Our results suggest a method for the direct measurement of the scaling exponent {nu}.

  19. Transit satellite system timing capabilities

    NASA Technical Reports Server (NTRS)

    Finsod, T. D.

    1978-01-01

    Current time transfer capabilities of the Transit Satellite System are reviewed. Potential improvements in the changes in equipment and operational procedures using operational satellites are discussed.

  20. Transition research using flight experiments

    NASA Technical Reports Server (NTRS)

    Reshotko, Eli

    1990-01-01

    The paper deals with flight experiments as a means of obtaining proper transition information in an uncontaminated environment. Flight transition experiments performed in the early to middle 1950s using rocket-propelled vehicles are outlined. It is noted that the standards for research quality experiments on stability and transition are no different for flight studies than for wind-tunnel experiments. The guidelines formulated by the U.S. Boundary Layer Transition Study Group are listed. Attention is focused on the relationship between the model design and the measurement of disturbance environment, the maintenance and monitoring of test and model-surface conditions, and a need for high data-sampling rates.

  1. Transit administration and planning research

    SciTech Connect

    de Corla-Souza; Gupta.

    1989-01-01

    The 10 papers in the report deal with the following areas: Evaluation of demand-management strategies for Toledo's year 2010 transportation plan; Accommodating deaf and hard-of-hearing persons on public transportation systems in Massachusetts; Quick approach to compare highway and bus transit alternatives using the arterial analysis package; Panel survey approach to measuring transit route service elasticity of demand; UMTA and major investments: evaluation process and results; Using early performance to project transit route ridership: comparison of methods; Institutional requirements for competition: labor issues; Updating ride checks with multiple point checks; Producing section 15 service-consumed data: challenge for large transit; Parkrose targeted marketing campaign pass-incentive program.

  2. Transition Metal Compounds Towards Holography

    PubMed Central

    Dieckmann, Volker; Eicke, Sebastian; Springfeld, Kristin; Imlau, Mirco

    2012-01-01

    We have successfully proposed the application of transition metal compounds in holographic recording media. Such compounds feature an ultra-fast light-induced linkage isomerization of the transition-metal–ligand bond with switching times in the sub-picosecond regime and lifetimes from microseconds up to hours at room temperature. This article highlights the photofunctionality of two of the most promising transition metal compounds and the photophysical mechanisms that are underlying the hologram recording. We present the latest progress with respect to the key measures of holographic media assembled from transition metal compounds, the molecular embedding in a dielectric matrix and their impressive potential for modern holographic applications. PMID:28817028

  3. Diverse types of percolation transitions

    NASA Astrophysics Data System (ADS)

    Lee, Deokjae; Cho, Y. S.; Kahng, B.

    2016-12-01

    Percolation has long served as a model for diverse phenomena and systems. The percolation transition, that is, the formation of a giant cluster on a macroscopic scale, is known as one of the most robust continuous transitions. Recently, however, many abrupt percolation transitions have been observed in complex systems. To illustrate such phenomena, considerable effort has been made to introduce models and construct theoretical frameworks for explosive, discontinuous, and hybrid percolation transitions. Experimental results have also been reported. In this review article, we describe such percolation models, their critical behaviors and universal features, and real-world phenomena.

  4. [Sleep-wake transition disorders].

    PubMed

    Honma, H; Kobayashi, R; Koyama, T

    1998-02-01

    The term sleep-wake transition disorders refers to a group of parasomnias that occur during the transition from wakefulness to sleep or from one sleep stage to another. Rhythmic movement disorder, sleep starts, sleep talking, and nocturnal leg cramps--these four disorders belong to sleep-wake transition disorders in the International Classification of Sleep Disorders. Although these are common disorders, little attention is given to them and their mechanisms are remain unclear. The majority of patients are not so severe as to require any treatment. Their prognosis are usually well. This article describes sleep-wake transition disorders concerning the clinical features, differential diagnosis, treatment, etc.

  5. Calculations with spectroscopic accuracy: energies, transition rates, and Landé gJ-factors in the carbon isoelectronic sequence from Ar XIII to Zn XXV

    NASA Astrophysics Data System (ADS)

    Ekman, J.; Jönsson, P.; Gustafsson, S.; Hartman, H.; Gaigalas, G.; Godefroid, M. R.; Froese Fischer, C.

    2014-04-01

    Extensive self-consistent multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations and subsequent relativistic configuration interaction calculations are performed for 262 states belonging to the 15 configurations 2s22p2, 2s2p3, 2p4, 2s22p3l, 2s2p23l, 2p33l and 2s22p4l(l = 0,1,2) in selected carbon-like ions from Ar XIII to Zn XXV. Electron correlation effects are accounted for through large configuration state function expansions. Calculated energy levels are compared with existing theoretical calculations and data from the Chianti and NIST databases. In addition, Landé gJ-factors and radiative electric dipole transition rates are given for all ions. The accuracy of the calculations are high enough to facilitate the identification of observed spectral lines. Research supported in part by the Swedish Research council, Swedish Institute and by the IUAP-Belgian State Science Policy (BriX network P7/12).Tables of energy levels and transition rates (Tables 3-22) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/564/A24

  6. Transitions to Least Restrictive Environments: A Guide to Transition. Revised.

    ERIC Educational Resources Information Center

    Beninghof, Anne M.

    This guide to the transition of special education students to less restrictive environments or from school to work stresses the importance of planning and communication during the entire process, from initial plans through implementation and follow-up. Section 1 consists of a "Transition Process Checklist" to aid in the organization and follow…

  7. Essentials of Transition Planning. Brookes Transition to Adulthood Series

    ERIC Educational Resources Information Center

    Wehman, Paul

    2011-01-01

    For young people with disabilities, crossing the bridge to adulthood will be empowering instead of intimidating--when their support teams know the essentials of effective transition planning. Now all the fundamentals of well-crafted transition plans are collected in one concise quick-guide, straight from one of the top authorities on helping young…

  8. Connecticut Transit (CTTRANSIT) Fuel Cell Transit Bus: Preliminary Evaluation Results

    SciTech Connect

    Chandler, K.; Eudy, L.

    2008-10-01

    This report provides preliminary results from a National Renewable Energy Laboratory evaluation of a protoptye fuel cell transit bus operating at Connecticut Transit in Hartford. Included are descriptions of the planned fuel cell bus demonstration and equipment; early results and agency experience are also provided.

  9. Essentials of Transition Planning. Brookes Transition to Adulthood Series

    ERIC Educational Resources Information Center

    Wehman, Paul

    2011-01-01

    For young people with disabilities, crossing the bridge to adulthood will be empowering instead of intimidating--when their support teams know the essentials of effective transition planning. Now all the fundamentals of well-crafted transition plans are collected in one concise quick-guide, straight from one of the top authorities on helping young…

  10. Lost in Transition: Examining Transitions in Psychotherapy Training.

    PubMed

    Tan, Adrienne; Philipp, Diane; Malat, Jan; Feder, Victor; Kulkarni, Chetana; Lawson, Andrea; So, Vivien; Ravitz, Paula

    2015-10-01

    Disruptions are inevitable during psychiatry residency training and can affect resident learning and patient care. This exploratory study examined the nature and impact of transitions in psychotherapy training. PGY2-5 residents (45/150; 30% response rate) and psychotherapy supervisors (46/247; 18.6% response rate) were surveyed about transitional events during residency training in psychotherapy. Supervisors and residents ranked the frequency of occurrence of transitional events and their impact very similarly, as well as the "feed forward" items when transitioning to a new supervisor. Residents feeling confused or overwhelmed with the balancing of learning differing models with differing levels of comfort or knowledge was ranked as the issue that occurred most frequently by both supervisors and residents. This study highlights issues that arise at transitions during psychotherapy training in psychiatry residency. Strategies for managing these periods are discussed, with a focus on resident learning and improved continuity of patient care.

  11. Phase transitions in disordered systems

    NASA Astrophysics Data System (ADS)

    Hrahsheh, Fawaz Y.

    Disorder can have a wide variety of consequences for the physics of phase transitions. Some transitions remain unchanged in the presence of disorder while others are completely destroyed. In this thesis we study the effects of disorder on several classical and quantum phase transitions in condensed matter systems. After a brief introduction, we study the ferromagnetic phase transition in a randomly layered Heisenberg magnet using large-scale Monte-Carlo simulations. Our results provide numerical evidence for the exotic infinite-randomness scenario. We study classical and quantum smeared phase transitions in substitutional alloys A1-xBx. Our results show that the disorder completely destroys the phase transition with a pronounced tail of the ordered phase developing for all compositions x < 1. In addition, we find that short-ranged disorder correlations can have a dramatic effect on the transition. Moreover, we show an experimental realization of the composition-tuned ferromagnetic-to-paramagnetic quantum phase transition in Sr1-xCa xRuO3. We investigate the effects of disorder on first-order quantum phase transitions on the example of the N-color quantum Ashkin-Teller model. By means of a strong disorder renormalization group, we demonstrate that disorder rounds the first-order transition to a continuous one for both weak and strong coupling between the colors. Finally, we investigate the superfluid-insulator quantum phase transition of one-dimensional bosons with off-diagonal disorder by means of large-scale Monte-Carlo simulations. Beyond a critical disorder strength, we find nonuniversal, disorder dependent critical behavior.

  12. Light Scattering in Exoplanet Transits

    NASA Astrophysics Data System (ADS)

    Robinson, Tyler D.; Fortney, Jonathan J.

    2016-10-01

    Transit spectroscopy is currently the leading technique for studying exoplanet atmospheric composition, and has led to the detection of molecular species, clouds, and/or hazes for numerous worlds outside the Solar System. The field of exoplanet transit spectroscopy will be revolutionized with the anticipated launch of NASA's James Webb Space Telescope (JWST) in 2018. Over the course of the design five year mission for JWST, the observatory is expected to provide in-depth observations of many tens of transiting exoplanets, including some worlds in the poorly understood 2-4 Earth-mass regime. As the quality of transit spectrum observations continues to improve, so should models of exoplanet transits. Thus, certain processes initially thought to be of second-order importance should be revisited and possibly added to modeling tools. For example, atmospheric refraction, which was commonly omitted from early transit spectrum models, has recently been shown to be of critical importance in some terrestrial exoplanet transits. Beyond refraction, another process that has seen little study with regards to exoplanet transits is light multiple scattering. In most cases, scattering opacity in exoplanet transits has been treated as equivalent to absorption opacity. However, this equivalence cannot always hold, such as in the case of a strongly forward scattering, weakly absorbing aerosol. In this presentation, we outline a theory of exoplanet transit spectroscopy that spans the geometric limit (used in most modern models) to a fully multiple scattering approach. We discuss a new technique for improving model efficiency that effectively separates photon paths, which tend to vary slowly in wavelength, from photon absorption, which can vary rapidly in wavelength. Using this newly developed approach, we explore situations where cloud or haze scattering may be important to JWST observations of gas giants, and comment on the conditions necessary for scattering to become a major

  13. Detection by Transit Photometry

    NASA Technical Reports Server (NTRS)

    Borucki, William J.; Koch, David G.; Jenkins, Jon M.; DeVincenzi, D. (Technical Monitor)

    2002-01-01

    A periodic sequence of planetary transits provides a valid detection of an orbiting planet and provides the relative size of the planet and its orbital period. Ancillary measurements of the stellar spectrum and the variations of the star's radial velocity or position combined with stellar models allow the absolute size of the planet and its mass to be obtained. The results of this approach have already shown that the planet orbiting HD209458 has only 70% of the mass of Jupiter, but is nearly 50% larger in radius. Based on models of planetary structure, these results imply that the planet must have spent most of its lifetime so close to the star that it has not been able to cool and contract as have the giant planets in our Solar System. Thus its density is much less than Jupiter and Saturn and is actually less than that of water; i.e., about 0.4 gr/cu cm. If more sensitive measurements of the light curve of stars with closely orbiting planets can be made that provide the varying amplitude of the light reflected by the planet at various phases in its orbit, then characteristics of the planetary atmosphere can be obtained. Potentially, these data can identify major molecular species present in the atmosphere and tell us if clouds are present and yield the phase function of the aerosols. Although such detail cannot be obtained for Earth-size planets because their signal amplitudes are too small, it is possible to get data critical to the determination of the structure of extrasolar planetary systems. In particular, the size distributions and their orbital distributions can be measured by the transit photometry missions now in development. The COROT mission should be able to find large terrestrial planets in short-period orbits while the more ambitious Kepler and Eddington missions should be able to detect planets even smaller than the Earth and at orbital distances that place them in the habitable zone of their stars.

  14. Detection by Transit Photometry

    NASA Technical Reports Server (NTRS)

    Borucki, William J.; Koch, David G.; Jenkins, Jon M.; DeVincenzi, D. (Technical Monitor)

    2002-01-01

    A periodic sequence of planetary transits provides a valid detection of an orbiting planet and provides the relative size of the planet and its orbital period. Ancillary measurements of the stellar spectrum and the variations of the star's radial velocity or position combined with stellar models allow the absolute size of the planet and its mass to be obtained. The results of this approach have already shown that the planet orbiting HD209458 has only 70% of the mass of Jupiter, but is nearly 50% larger in radius. Based on models of planetary structure, these results imply that the planet must have spent most of its lifetime so close to the star that it has not been able to cool and contract as have the giant planets in our Solar System. Thus its density is much less than Jupiter and Saturn and is actually less than that of water; i.e., about 0.4 gr/cu cm. If more sensitive measurements of the light curve of stars with closely orbiting planets can be made that provide the varying amplitude of the light reflected by the planet at various phases in its orbit, then characteristics of the planetary atmosphere can be obtained. Potentially, these data can identify major molecular species present in the atmosphere and tell us if clouds are present and yield the phase function of the aerosols. Although such detail cannot be obtained for Earth-size planets because their signal amplitudes are too small, it is possible to get data critical to the determination of the structure of extrasolar planetary systems. In particular, the size distributions and their orbital distributions can be measured by the transit photometry missions now in development. The COROT mission should be able to find large terrestrial planets in short-period orbits while the more ambitious Kepler and Eddington missions should be able to detect planets even smaller than the Earth and at orbital distances that place them in the habitable zone of their stars.

  15. Transition radiation of multicharged ions

    SciTech Connect

    Malyshevsky, V. S. Fomin, G. V.; Ivanova, I. A.

    2016-02-15

    The problem of the transition radiation of multicharged ions at the interface between two media and in a thin plate under the charge-exchange conditions has been solved. It has been shown that the processes of pickup (or loss) of electrons by accelerated multicharged ions at the interface between two media significantly increases the yield of transition radiation.

  16. Adolescence: A Period of Transition

    ERIC Educational Resources Information Center

    Landmark, Leena Jo; Geye, Trina

    2014-01-01

    Because of the important role secondary special educators have in the transition to adulthood of adolescents with disabilities, it behooves educators to have an understanding of human development. The lifespan perspective on human development is particularly relevant to transition planning. Individuals with a lifespan perspective believe…

  17. Adult Transition Program without Walls

    ERIC Educational Resources Information Center

    Moberg, Eric

    2010-01-01

    Best practices in adult transition special education for moderate to severe students suggest student-centered planning that maximizes independence in adult life. Based on the above sources, school districts and governing boards would best serve moderate to severe transition special education students with increasing integration into the community…

  18. Mercury Transit Across the Sun

    NASA Image and Video Library

    2016-05-09

    On May 9, 2016, Mercury passed directly between the Sun and Earth, making a transit of the Sun. Mercury transits happen about 13 times each century. NASA SDO studies the Sun 24/7 and captured the eight-hour event.

  19. Transition Planning for Foster Youth

    ERIC Educational Resources Information Center

    Geenen, Sarah J.; Powers, Laurie E.

    2006-01-01

    The study evaluated the IEPs/Individualized Transition Plans of 45 students who were in special education and foster care, and compared them to the plans of 45 students who were in special education only. Results indicate that the transition plans of foster youth with disabilities were poor in quality, both in absolute terms and in comparison to…

  20. School-to-Work Transition.

    ERIC Educational Resources Information Center

    ERIC Review, 1996

    1996-01-01

    The "ERIC Review" announces research results, publications, and new programs relevant to each issue's theme topic. This issue explores the topic of preparing young people to make the transition from school to work. The lead article by Ray D. Ryan and Susan Imel, "School-to-Work Transition: Genuine Reform or the Latest Fad?,"…

  1. Transition Specialist Competencies. Fact Sheet.

    ERIC Educational Resources Information Center

    Council for Exceptional Children, Reston, VA. Div. of Career Development and Transition.

    This fact sheet describes the role of the transition specialist, an individual who plans, coordinates, delivers, and evaluates transition educational services at the school or system level, in conjunction with other educators, families, students, and representatives of community organizations. It summarizes the competencies for transition…

  2. Nonadiabatic transitions and gauge structure

    SciTech Connect

    Nakamura, K. ); Rice, S.A. )

    1994-04-01

    We examine the role of fictitious gauge structure in nonadiabatic transitions for transport in open paths. Local features of the gauge potential modify the nature of the intersection of the adiabatic energy surfaces and thereby affect crucially the Landau-Zener formula for a single-passage transition rate.

  3. Role Transitions in Small Groups.

    ERIC Educational Resources Information Center

    Moreland, Richard L.; Levine, John M.

    This paper analyzes role transitions in small groups within the context of a more general model of group socialization that is based on the psychological processes of evaluation, commitment, and decision making. The major advantage of such an approach is that it specifies why role transitions in small groups occur. According to the model, groups…

  4. Sampling diffusive transition paths

    SciTech Connect

    F. Miller III, Thomas; Predescu, Cristian

    2006-10-12

    We address the problem of sampling double-ended diffusive paths. The ensemble of paths is expressed using a symmetric version of the Onsager-Machlup formula, which only requires evaluation of the force field and which, upon direct time discretization, gives rise to a symmetric integrator that is accurate to second order. Efficiently sampling this ensemble requires avoiding the well-known stiffness problem associated with sampling infinitesimal Brownian increments of the path, as well as a different type of stiffness associated with sampling the coarse features of long paths. The fine-features sampling stiffness is eliminated with the use of the fast sampling algorithm (FSA), and the coarse-feature sampling stiffness is avoided by introducing the sliding and sampling (S&S) algorithm. A key feature of the S&S algorithm is that it enables massively parallel computers to sample diffusive trajectories that are long in time. We use the algorithm to sample the transition path ensemble for the structural interconversion of the 38-atom Lennard-Jones cluster at low temperature.

  5. Transitioning to digital radiography.

    PubMed

    Drost, Wm Tod

    2011-04-01

    To describe the different forms of digital radiography (DR), image file formats, supporting equipment and services required for DR, storage of digital images, and teleradiology. Purchasing a DR system is a major investment for a veterinary practice. Types of DR systems include computed radiography, charge coupled devices, and direct or indirect DR. Comparison of workflow for analog and DR is presented. On the surface, switching to DR involves the purchase of DR acquisition hardware. The X-ray machine, table and grids used in analog radiography are the same for DR. Realistically, a considerable infrastructure supports the image acquisition hardware. This infrastructure includes monitors, computer workstations, a robust computer network and internet connection, a plan for storage and back up of images, and service contracts. Advantages of DR compared with analog radiography include improved image quality (when used properly), ease of use (more forgiving to the errors of radiographic technique), speed of making a complete study (important for critically ill patients), fewer repeat radiographs, less time looking for imaging studies, less physical storage space, and the ability to easily send images for consultation. With an understanding of the infrastructure requirements, capabilities and limitations of DR, an informed veterinary practice should be better able to make a sound decision about transitioning to DR. © Veterinary Emergency and Critical Care Society 2011.

  6. Neutrino-antineutrino transitions

    SciTech Connect

    Langacker, P.; Wang, J.

    1998-11-01

    We consider transitions between neutrinos and antineutrinos in laboratory experiments in five scenarios. These include the case in which the helicity flips, producing an antineutrino with normal weak interactions, and helicity preserving oscillations into an SU(2) singlet state which only interacts by mixing or new interactions. The ratio of {mu}{sup +} and {mu}{sup {minus}} events for a high energy {nu}{sub {mu}} beam from pion decay rescattered from a nucleon target and the ratio between e{sup +} and e{sup {minus}} events for a rescattered low energy {nu}{sub e} beam are calculated in each case. The upper limit on the ratio is about 10{sup {minus}6}{endash}10{sup {minus}10} for a high energy {nu}{sub {mu}} beam and 10{sup {minus}6}{endash}10{sup {minus}14} for a low energy {nu}{sub e} beam, too small to observe in present experiments. {copyright} {ital 1998} {ital The American Physical Society}

  7. Epithelial-Mesenchymal Transition

    PubMed Central

    Klymkowsky, Michael W.; Savagner, Pierre

    2009-01-01

    Epithelial-mesenchymal transition (EMT) describes a series of rapid changes in cellular phenotype. During EMT, epithelial cells down-modulate cell-cell adhesion structures, alter their polarity, reorganize their cytoskeleton, and become isolated, motile, and resistant to anoikis. The term EMT is often applied to distinct biological events as if it were a single conserved process, but in fact EMT-related processes can vary in intensity from a transient loss of cell polarity to the total cellular reprogramming, as found by transcriptional analysis. Based on clinical observations, it is more appropriate in most cases to describe the emergence of an EMT-like phenotype during tumor progression. Although EMT implies complete trans-differentiation, EMT-like emphasizes the intermediary phenotype associated with tumor cell renewal and adaptation to specific microenvironments. Here, we categorize the various EMT-like phenotypes found in human carcinomas that, depending on the tumor type, may or not represent analogous stages in tumor progression. We based these categories on the global tumor phenotype. The tumor microenvironment, which is associated with stromal reactions, hypoxia, paucity of nutrients, impaired differentiation, and activation of various EMT-associated pathways, modulates overall tumor phenotype and leads to tumor heterogeneity. PMID:19342369

  8. Menstruation and the Menopause Transition

    PubMed Central

    Harlow, Siobán D.; Paramsothy, Pangaja

    2011-01-01

    SYNOPSIS This paper characterizes changes in menstrual bleeding during perimenopause, including bleeding changes that represent markers of the menopausal transition. Recent results from the Study of Women’s Health Across the Nation (SWAN), a multiethnic cohort study of midlife women, as well as data from other cohort studies of women in the midlife are reviewed. Emerging data describing subpopulation differences in the transition experience is highlighted . Early transition, defined as a persistent difference in consecutive menstrual cycle length of seven or more days, begins on average 6-8 years before the FMP. Late transition, defined by an episode of 60 or more days of amenorrhea, begins on average two years before the FMP. When treating women in the midlife, clinicians should pay careful attention to medical factors, including both conditions and treatments, that may increase menstrual blood loss or alter menstrual cycle characteristics sufficiently to obscure the onset of the menopausal transition or the FMP. PMID:21961722

  9. Assessing transitional phenomena with the transitional object memory probe.

    PubMed

    Fowler, C; Hilsenroth, M J; Handler, L

    1998-01-01

    Winnicott's concept of transitional relatedness has captured the interest of psychoanalysts because it provides an understanding of the dialectical process occurring between inner and outer reality, and by extension, between analyst and analysand. Clinical observations related to transitional phenomena have led the authors to develop a projective early memory probe that assesses transitional phenomena. The transitional object early memory probe was tested both for its empirical validity and for its clinical utility in psychodynamic psychotherapy. Construct validity was assessed by comparing memory scores to the Rorschach Transitional Object Scale, as well as to therapist ratings of patient behaviors. Results demonstrated moderate correlations between early memory scores and Rorschach scale scores. Equally important was the finding that early memory scores were significantly correlated with therapist ratings of key behavioral patterns in therapy. A case vignette highlights the clinical application of the transitional object probe in assessing the capacity for transitional relatedness. In this case, the data gleaned from the patient's memories provided the therapist with a sharper focus on their role in the patient's growing capacity for more vital and creative contact with reality.

  10. Complements to nonperturbative treatment of radiative damping effect in dielectronic recombination: {delta}n=2 transition in C IV

    SciTech Connect

    Stancalie, V.

    2005-10-01

    The primary purpose of the present work is to provide new refined results from nonperturbative treatment of the radiative damping effect in dielectronic recombination. The present results are used to test and confirm previously reported method [V. Stancalie, Phys. Plasmas 12, 043301 (2005)] taking full account of the electron collision and radiative processes in a consistent way, when radiation field is considered to all orders. This work refers to the 1s{sup 2}2s5s({sup 1}S) and 1s{sup 2}2p7s({sup 1}P{sup 0}) configurations, embedded in the electric dipole field of the 2s-2p core transition in Li-like C ion. Comparisons with previously reported results are shown. This data are believed to be the first demonstration of {delta}n=2 channel in dielectronic recombination of Li-like into Be-like C and are important in plasma diagnostics.

  11. SYSTEMATIC CALCULATIONS OF ENERGY LEVELS AND TRANSITION RATES OF C-LIKE IONS WITH Z = 13-36

    SciTech Connect

    Wang, K.; Li, D. F.; Liu, H. T.; Han, X. Y.; Duan, B.; Li, C. Y.; Li, J. G.; Yan, J.; Guo, X. L.; Chen, C. Y.

    2015-01-01

    Based on systematic calculations using a combined relativistic configuration interaction and a many-body perturbation theory (MBPT) approach, we provide a complete and consistent data set for 46 levels belonging to the 2s {sup 2}2p {sup 2}, 2s2p {sup 3}, 2p {sup 4}, 2s {sup 2}2p3s, 2s {sup 2}2p3p, and 2s {sup 2}2p3d configurations in C-like ions with 13 ≤ Z ≤ 36. The data set includes energy levels as well as electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transition properties. Extensive comparisons with available observed and calculated results are made and indicate that the present MBPT calculations are highly accurate. The present data set can be used reliably for many purposes, such as the line identification of observed spectra, and modeling and diagnostics of astrophysical and fusion plasmas.

  12. Evaluation of variation in ( m_p/m_e) from the frequency difference between the 15N2+ and 87Sr transitions

    NASA Astrophysics Data System (ADS)

    Kajita, Masatoshi

    2016-07-01

    The uncertainty of the 87Sr1 S0-3 P0 transition frequency (429 THz) has been reduced to the level of 10^{-18}. Also, the 15N2+ Q(0) vibrational transition frequency is expected to be measured with an uncertainty of 10^{-17} , and the v = 0-7 transition frequency (422 THz) is close to the 87Sr transition frequency. In this paper, we propose a test for the variation in the proton-to-electron mass ratio μ via precise measurement of the difference (f_d=7 THz) between these transition frequencies. By measuring f_d within the uncertainty of 10^{-16}, a variation in μ of 4 × 10^{-18} can be detected. The 15N2+ v =0 -7 Q(0) transition frequency is free from Zeeman and electric quadrupole shifts. The dc Stark coefficient is about 0.2 mHz/(V/cm)2, and the measurement of f_d with an uncertainty lower than 10^{-16} appears to be attainable using molecular ions in a string crystal. The 15N2+ transition frequency is observed via the two-photon excitation of a laser with a wavelength of 1422 nm (laser A). Another laser with a wavelength of 1396 nm (laser B) is used as a 87Sr clock laser after frequency doubling. The frequency difference between lasers A and B (3.5 THz) should be measured using a frequency comb. Lasers A and B can be transferred to another laboratory via an optical fiber. Therefore, a sensitive test of the variation in μ can be performed in cooperation between two distant laboratories.

  13. 22 CFR 41.71 - Transit aliens.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 1 2013-04-01 2013-04-01 false Transit aliens. 41.71 Section 41.71 Foreign... NATIONALITY ACT, AS AMENDED Transit Aliens § 41.71 Transit aliens. (a) Transit aliens—general. An alien is classifiable as a nonimmigrant transit alien under INA 101(a) (15) (C) if the consular officer is satisfied...

  14. 22 CFR 41.71 - Transit aliens.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 1 2014-04-01 2014-04-01 false Transit aliens. 41.71 Section 41.71 Foreign... NATIONALITY ACT, AS AMENDED Transit Aliens § 41.71 Transit aliens. (a) Transit aliens—general. An alien is classifiable as a nonimmigrant transit alien under INA 101(a) (15) (C) if the consular officer is satisfied...

  15. 22 CFR 41.71 - Transit aliens.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 1 2012-04-01 2012-04-01 false Transit aliens. 41.71 Section 41.71 Foreign... NATIONALITY ACT, AS AMENDED Transit Aliens § 41.71 Transit aliens. (a) Transit aliens—general. An alien is classifiable as a nonimmigrant transit alien under INA 101(a) (15) (C) if the consular officer is satisfied...

  16. 20 CFR 627.901 - Transition period.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Transition period. 627.901 Section 627.901... PROGRAMS UNDER TITLES I, II, AND III OF THE ACT Transition Provisions § 627.901 Transition period. The transition period ended June 30, 1993 unless otherwise stated. The intent of the transition period is to...

  17. 22 CFR 41.71 - Transit aliens.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Transit aliens. 41.71 Section 41.71 Foreign... NATIONALITY ACT, AS AMENDED Transit Aliens § 41.71 Transit aliens. (a) Transit aliens—general. An alien is classifiable as a nonimmigrant transit alien under INA 101(a) (15) (C) if the consular officer is...

  18. 22 CFR 41.71 - Transit aliens.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Transit aliens. 41.71 Section 41.71 Foreign... NATIONALITY ACT, AS AMENDED Transit Aliens § 41.71 Transit aliens. (a) Transit aliens—general. An alien is classifiable as a nonimmigrant transit alien under INA 101(a) (15) (C) if the consular officer is...

  19. Selenophene transition metal complexes

    SciTech Connect

    White, Carter James

    1994-07-27

    This research shows that selenophene transition metal complexes have a chemistry that is similar to their thiophene analogs. Selenophene coordination has been demonstrated and confirmed by molecular structure in both the η5- and the η1(Se)-coordination modes. The reaction chemistry of selenophene complexes closely resembles that of the analogous thiophene complexes. One major difference, however, is that selenophene is a better donor ligand than thiophene making the selenophene complexes more stable than the corresponding thiophene complexes. The 77Se NMR chemical shift values for selenophene complexes fall within distinct regions primarily depending on the coordination mode of the selenophene ligand. In the final paper, the C-H bond activation of η1(S)-bound thiophenes, η1(S)-benzothiophene and η1(Se)-bound selenophenes has been demonstrated. The deprotonation and rearrangement of the η1(E)-bound ligand to the carbon bound L-yl complex readily occurs in the presence of base. Reprotonation with a strong acid gives a carbene complex that is unreactive towards nucleophilic attack at the carbene carbon and is stable towards exposure to air. The molecular structure of [Cp(NO)(PPh3)Re(2-benzothioenylcarbene)]O3SCF3 was determined and contains a Re-C bond with substantial double bond character. Methyl substitution for the thienylcarbene or selenylcarbene gives a carbene that rearranges thermally to give back the η1(E)-bound complex. Based on these model reactions, a new mechanism for the H/D exchange of thiophene over the hydrodesulfurization catalyst has been proposed.

  20. Unusual spin transitions

    NASA Astrophysics Data System (ADS)

    Ovcharenko, V. I.; Fokin, S. V.; Romanenko, G. V.; Ikorskii, V. N.; Tretyakov, E. V.; Vasilevsky, S. F.; Sagdeev, R. Z.

    New heterospin complexes of Cu(hfac) 2 (hfac, hexafluoroacetylacetonate) with pyrazole-substituted nitronyl nitroxides have been found that in the solid state exhibit thermally induced spin transitions analogous to spin crossover. For the first complex, [Cu(hfac) 2 L i-Pr ], at room temperature, the Cu - O L distances, where O L is the oxygen atom of the nitroxyl group, are very short (2.143 Å). This leads to a strong antiferromagnetic exchange (~-120 cm -1 ) in the > N - •O - Cu 2+ - O •- N< exchange clusters. The CuO 6 coordination units formed by four O atoms of the two hfac anions and by the nitroxyl O atoms of the two bridging nitroxides have a rare form of flattened octahedra, transformed at low temperatures into elongated octahedra with shorter Cu - O L distances (2.143 Å ⇔2.002 Å) and two longer Cu - O hfac distances (2.130 Å ⇔2.293 Å). For the second complex, [Cu(hfac) 2 L Bu ·0.5C 6 H 14 ], unusual low temperature structural dynamics of heterospin systems have been found. It is characterized by the formation of two types of CuO 6 unit. The axial Cu - O L distances are lengthened in one unit (2.250 Å 2.347 Å) and shortened in the other (2.250 Å ⇔2.006 Å). This leads to a sophisticated μeff ( T ) dependence with μeff drastically decreased at 163 K as a result of full coupling of two spins in half of all >N - •O - Cu 2+ - O •- N< exchange clusters and to a shift from antiferromagnetic to ferromagnetic exchange in the other half.

  1. Electronic Transitions of Yttrium Monophosphide

    NASA Astrophysics Data System (ADS)

    Cheung, Allan S. C.; Li, Biu Wa; Chan, MAN-CHOR

    2015-06-01

    Electronic transition spectrum of the yttrium monophosphide (YP) molecule in the visible region between 715 nm and 880 nm has been recorded using laser ablation/reaction free-jet expansion and laser induced fluorescence spectroscopy. The YP molecule was produced by reacting laser - ablated yttrium atoms with PH3 seeded in argon. Thirteen vibrational bands were analyzed and five electronic transition systems have identified, namely the [12.2] Ω = 3 - X3 Π_2 transition, [13.3] Ω = 3 - X3 Π_2 transition, [13.4] Ω = 3 - X3 Π_2 transition, [13.5] Ω = 3 - X3 Π_2 transition, and [13.4] Ω = 2 - X3 Π_2 transition. Least squares fits of the measured rotational lines yielded molecular constants for the ground and excited states. The ground state symmetry and the bond length r_0 of the YP molecule have been determined to be a X3 Π_2 state and 2.4413 Å respectively in this work. A molecular orbital energy level diagram has been used to help the assignment of the observed electronic states. This work represents the first experimental investigation of the spectrum of the YP molecule.

  2. The Visibility of Earth Transits

    NASA Technical Reports Server (NTRS)

    Castellano, Timothy P.; Doyle, Laurance; McIntosh, Dawn; DeVincenzi, Donald (Technical Monitor)

    2000-01-01

    The recent photometric detection of planetary transits of the solar-like star HD 209458 at a distance of 47 parsecs suggest that transits can reveal the presence of Jupiter-size planetary companions in the solar neighborhood. Recent space-based transit searches have achieved photometric precision within an order of magnitude of that required to detect the much smaller transit signal of an earth-size planet across a solar-size star. Laboratory experiments in the presence of realistic noise sources have shown that CCDs can achieve photometric precision adequate to detect the 9.6 E-5 dimming of the Sun due to a transit of the Earth. Space-based solar irradiance monitoring has shown that the intrinsic variability of the Sun would not preclude such a detection. Transits of the Sun by the Earth would be detectable by observers that reside within a narrow band of sky positions near the ecliptic plane, if the observers possess current Earth epoch levels of technology and astronomical expertise. A catalog of solar-like stars that satisfy the geometric condition for Earth transit visibility are presented.

  3. The Visibility of Earth Transits

    NASA Technical Reports Server (NTRS)

    Castellano, Tim; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    The recent detection of planetary transits of the solar-like star HD 209458 at a distance of 47 parsecs suggest that transits can reveal the presence of Jupiter-size planetary companions in the solar neighborhood. Recent space-based transit searches have achieved photometric precision within an order of magnitude of that required to detect the much smaller transit signal of an earth-size planet around a solar-size star. Laboratory experiments in the presence of realistic noise sources have shown that CCDs can achieve photometric precision adequate to detect the 9.6 E-5 dimming, of the Sun due to a transit of the Earth. Space-based solar irradiance monitoring has shown that the intrinsic variability of the Sun would not preclude such a detection. Transits of the Sun by the Earth would be detectable by observers that reside within a narrow band of sky positions near the ecliptic plane, if the observers possess current Earth epoch levels of technology and astronomical expertise. A catalog of candidate target stars, their properties, and simulations of the photometric Earth transit signal detectability at each target is presented.

  4. Observational biases for transiting planets

    NASA Astrophysics Data System (ADS)

    Kipping, David M.; Sandford, Emily

    2016-12-01

    Observational biases distort our view of nature, such that the patterns we see within a surveyed population of interest are often unrepresentative of the truth we seek. Transiting planets currently represent the most informative data set on the ensemble properties of exoplanets within 1 au of their star. However, the transit method is inherently biased due to both geometric and detection-driven effects. In this work, we derive the overall observational biases affecting the most basic transit parameters from first principles. By assuming a trapezoidal transit and using conditional probability, we infer the expected distribution of these terms both as a joint distribution and in a marginalized form. These general analytic results provide a baseline against which to compare trends predicted by mission-tailored injection/recovery simulations and offer a simple way to correct for observational bias. Our results explain why the observed population of transiting planets displays a non-uniform impact parameter distribution, with a bias towards near-equatorial geometries. We also find that the geometric bias towards observed planets transiting near periastron is attenuated by the longer durations which occur near apoastron. Finally, we predict that the observational bias with respect to ratio-of-radii is super-quadratic, scaling as (RP/R⋆)5/2, driven by an enhanced geometric transit probability and modestly longer durations.

  5. Major evolutionary transitions in individuality

    PubMed Central

    West, Stuart A.; Fisher, Roberta M.; Gardner, Andy; Kiers, E. Toby

    2015-01-01

    The evolution of life on earth has been driven by a small number of major evolutionary transitions. These transitions have been characterized by individuals that could previously replicate independently, cooperating to form a new, more complex life form. For example, archaea and eubacteria formed eukaryotic cells, and cells formed multicellular organisms. However, not all cooperative groups are en route to major transitions. How can we explain why major evolutionary transitions have or haven’t taken place on different branches of the tree of life? We break down major transitions into two steps: the formation of a cooperative group and the transformation of that group into an integrated entity. We show how these steps require cooperation, division of labor, communication, mutual dependence, and negligible within-group conflict. We find that certain ecological conditions and the ways in which groups form have played recurrent roles in driving multiple transitions. In contrast, we find that other factors have played relatively minor roles at many key points, such as within-group kin discrimination and mechanisms to actively repress competition. More generally, by identifying the small number of factors that have driven major transitions, we provide a simpler and more unified description of how life on earth has evolved. PMID:25964342

  6. Cohesion and promotion energies in the transition metals: Implications of the local-density approximation

    NASA Astrophysics Data System (ADS)

    Watson, R. E.; Fernando, G. W.; Weinert, M.; Wang, Y. J.; Davenport, J. W.

    1991-04-01

    The accuracy of the local-density (LDA) or local-spin-density (LSDA) approximations when applied to transition metals is of great concern. Estimates of the cohesive energy compare the total energy of the solid with that of the free atom. This involves chosing the reference state of the free atom which, as a rule, will not be the free atom's ground state in LDA or LSDA. Comparing one reference state versus another, e.g., the dn-1s vs dn-2s2 for a transition metal, corresponds to calculating an s-d promotion energy Δ, which may be compared with experiment. Gunnarsson and Jones (GJ) [Phys. Rev. B 31, 7588 (1985)] found for the 3d row that the calculated Δ displayed systematic errors which they attributed to a difference in error within the LSDA in the treatment of the coupling of the outer-core electrons with the d versus non-d valence electrons. This study has been extended to relativistic calculations for the 3d, 4d, and 5d rows and for other promotions. The situation is more complicated than suggested by GJ, and its implications for cohesive energy estimates will be discussed.

  7. Principles of the electronic structure of complexes of non-transition elements

    NASA Astrophysics Data System (ADS)

    Kostikova, Galina P.; Korol'kov, Dimitrii V.; Kostikov, Yury P.

    1997-04-01

    The results of quantum-chemical calculations of electronic structures of complexes of non-transition elements are surveyed. Their X-ray emission and X-ray photoelectron spectra are analysed. General principles of the electronic structure of these complexes are established. It is shown that the effective participation of partially or completely occupied valence npm orbitals of the central atom A of ALk complexes in the formation of delocalised MOs, the negligibly small contribution of vacant And orbitals to the bonds with ligands, the valence inertness or rather low contribution of occupied Ans2 orbitals (except for 2s2 AO) to the valence MOs, and the initiation of the multiple bonds (in the electronic structure of complexes) due to covalent or hypervalent π-interactions involving only 2p (but not 3p, 4p, etc.) atomic orbitals are the most significant factors influencing the electronic structure of non-transition element compounds. The concept of d orbitals and hypervalent bonds is critisised. The bibliography includes 130 references.

  8. Magnetic TRAnsition Region Probe (MTRAP)

    NASA Technical Reports Server (NTRS)

    Moore, R. L.; Davis, John; Hathaway, David; Six, N. Frank (Technical Monitor)

    2002-01-01

    MTRAP (Magnetic Transition Region Probe) will reveal the fine-scale physical processes in the Sun's magnetic transition region, the complex layer from the upper photosphere to the upper chromosphere/lower transition region. In the magnetic transition region plasma forces and magnetic forces are of comparable strength, which results in complex interplay of the two, which interplay governs the coupling of the convectively-driven deeper layers to the magnetically-driven upper transition region and inner corona. The fine-scale magnetic structure, processes, and events in the magnetic transition region are key to the genesis of the Sun's entire hot, dynamic outer atmosphere and to the initiation of large eruptive events. MTRAP will be a single spacecraft in Sun-synchronous Earth orbit. Because MTRAP will probe and measure the 3-D structure and dynamics of the magnetic field and plasma in the chromosphere and transition region with unprecedented resolution, the required telescope size and telemetry rates dictate that MTRAP be in Earth orbit, not in deep space. The observations will feature visible and infrared maps of vector magnetic and velocity fields in the magnetic transition region and photosphere. These will have large field of view (greater than 100,000 km), high resolution (greater than 100 km), and high sensitivity (greater than 30 G in transverse field). These observations of the lower atmosphere will be complemented by UV maps of the structure, velocity, and magnetic field (including the full vector field if technically feasible) higher up, in the upper chromosphere and lower transition region. MTRAP will also have an EUV imaging spectrograph observing coronal structure and dynamics in the same field of view with comparable resolution. Specific phenomena to be analyzed include spicules, bright points, jets, the base of plumes, and the triggering of eruptive flares and coronal mass ejections. Additional information is included in the original extended abstract.

  9. Selective light emission in nonbonding electron transitions in poly(vinyl pyrrolidone) molecules on spin-coating in thin layers.

    PubMed

    Mishra, A; Ram, S

    2009-12-24

    It is shown that polymer molecules of poly(vinyl pyrrolidone) (PVP) rearranged in thin layers present surface-enhanced light emission in selective bands over a wide 260-860 nm range of spectrum. Four bands occur in spin-coated films by a dilute solution in water at 288, 395, 560, and 760 nm upon irradiating with an ultraviolet 200-250 nm light. The second and third bands are strong by contributing 82% intensity of the spectrum. Randomly dispersed PVP molecules in solution exhibit a single band (broad) at 425 nm {pi(0) <-- n(1)pi(2)* transition in the nonbonding electrons n(1) in the C=O (2s(2)p(4)) group of pyrrolidone ring} and a harmonic band 650-860 nm (weak) of roughly twice its wavelength. In films, this band is split up into two well-separated pi(0) <-- n(1)pi(2)* (395 nm) and pi(0) <-- n(2)pi(1)* (560 nm) bands. Localized nonbonding electrons n(2) of the C-N (2s(2)p(3)) moiety of pyrrolidone ring excite and emit part of the energy in the pi(0) <-- n(2)pi(1)* transition with as much intensity as in the pi(0) <-- n(1)pi(2)* band. Localization of n(1) and n(2) electrons on molecular layers of films favors the resonance >N-C=O structure with three C=O stretching bands 1615, 1635, and 1665 cm(-1) against a single band 1638 cm(-1) in randomly dispersed molecules (solution). The C-N stretching frequency is decreased by 30 cm(-1). Results are useful for molecular designing of optical films for down-energy conversion, optical switching, and biological sensors.

  10. Phase transition in Liouville theory

    SciTech Connect

    Johnston, D. )

    1989-11-15

    We suggest that the vortices arising in a Kosterlitz-Thouless phase transition in Liouville theory correspond to transitions between different genera, producing the plumber's nightmare'' and other phases that have been predicted in fluid membrane theory from energetic considerations. This transition has previously been invoked by Cates to explain the degeneration of numerical simulations of Gaussian random surfaces into branched polymers. The difficulty in quantizing Liouville theory for {ital d}{gt}1 is conjectured to be due to our insistence on working at a fixed genus.

  11. Phase transition in Liouville theory

    NASA Astrophysics Data System (ADS)

    Johnston, D.

    1989-11-01

    We suggest that the vortices arising in a Kosterlitz-Thouless phase transition in Liouville theory correspond to transitions between different genera, producing the ``plumber's nightmare'' and other phases that have been predicted in fluid membrane theory from energetic considerations. This transition has previously been invoked by Cates to explain the degeneration of numerical simulations of Gaussian random surfaces into branched polymers. The difficulty in quantizing Liouville theory for d>1 is conjectured to be due to our insistence on working at a fixed genus.

  12. Bi-directional transition nets

    NASA Astrophysics Data System (ADS)

    Staines, Anthony Spiteri

    2017-06-01

    Ordinary Petri nets are forward directed transition systems. Modern transition systems events and event flows are reversible. Hence modeling structures that reflect this are important. The creation of a bi-directional Petri net extends the modeling power of Petri nets. This work presents the successful implementation of a bi-directional transition net. Some toy examples in comparison to Petri nets are given showing the increased modeling power in a compacted form. The results show some interesting findings on how the expressive power of these structures has been increased.

  13. Transition circumnstellar disks in Lupus

    NASA Astrophysics Data System (ADS)

    Romero, G. A.; Schreiber, M. R.; Cieza, L. A.; Rebassa-Manssergas, A.; Williams, J. P.; Merin, B.; Smith-Castelli, A.; Orellana, M.

    2011-10-01

    Based on Spitzer selected YSOs, we present a study of transition disks located in Lupus. Several mechanisms have been proposed to explain their defining characteristic: an inner opacity hole and an optically thick outer disk. These processes are: planet formation, grain growth, photoevaporation, tidal truncation in close binaries. We have carried out Adaptive Optics (AO) imaging, submillimeter photometry, and echelle spectroscopy in order to observationally characterize our transition disk sample. With the analyzed data we can distinguish the four scenarios and identify candidate transition disk systems that are currently forming planets. Such objects are excellent targets to be followed-up with Herschel and ALMA.

  14. Menstruation and the menopausal transition.

    PubMed

    Harlow, Siobán D; Paramsothy, Pangaja

    2011-09-01

    This paper characterizes changes in menstrual bleeding during perimenopause,including bleeding changes that represent markers of the menopausal transition. Recent results from the Study of Women's Health Across the Nation and other cohort studies are reviewed. Emerging data describing subpopulation differences in the transition experience are highlighted. When treating women in the midlife, clinicians should pay careful attention to medical factors, including both conditions and treatments, that may increase menstrual blood loss or alter menstrual cycle characteristics sufficiently to obscure the onset of the menopausal transition or the final menstrual period.

  15. Nonradiative transition dynamics in alexandrite

    NASA Technical Reports Server (NTRS)

    Gayen, S. K.; Wang, W. B.; Petricevic, V.; Alfano, R. R.

    1986-01-01

    The first direct picosecond time-resolved measurement of the nonradiative transition dynamics between the excited 4T2 pump band and the metastable 2E storage level of the trivalent chromium ion in alexandrite is reported. The nonradiative relaxation times of 17 ps for intra-4T2 vibrational transitions, and 27 ps for 4T2-2E electronic transition are obtained. The thermal repopulation rate of the 4T2 state from the metastable 2E level is of the order 3.5 x 10 to the 9th per s.

  16. The 2012 Transit of Venus

    NASA Astrophysics Data System (ADS)

    Deans, P.

    2012-08-01

    On June 5-6, 2012, much of the world will experience an event that will not occur again for another 105 years - a transit of Venus. During the 18th and 19th centuries, astronomers made arduous trips to remote corners of Earth to make Venus transit observations in an attempt to calculate the Earth-Sun distance. Today a transit of Venus is simply a rare spectacle. But it is important to take care when viewing it, because observing the Sun is dangerous if proper filters for eye protection are not used.

  17. Theory on instability and transition

    NASA Technical Reports Server (NTRS)

    Smith, Frank T.

    1990-01-01

    The fundamental fluid dynamics governing instability and transition to turbulence in boundary layers are considered, and attention is focused on the key aspects of nonlinear dynamics central to the transition process and to turbulent boundary-layer phenomena. Emphasis is placed on truly nonlinear theories, in which the boundary layer mean-flow profile is completely altered from its original form. Nonlinear TS transitions, Euler-stage interactions, and vortex/wave interactions are discussed, and compressible boundary layers are analyzed. Connections with experiments and computations are outlined, along with overall trends including the extension of the nonlinear theory and the advancement in the compressible and other flow regimes.

  18. Fluctuation driven electroweak phase transition

    NASA Technical Reports Server (NTRS)

    Gleiser, Marcelo; Kolb, Edward W.

    1991-01-01

    We examine the dynamics of the electroweak phase transition in the early Universe. For Higgs masses in the range 46 less than or = M sub H less than or = 150 GeV and top quark masses less than 200 GeV, regions of symmetric and asymmetric vacuum coexist to below the critical temperature, with thermal equilibrium between the two phases maintained by fluctuations of both phases. We propose that the transition to the asymmetric vacuum is completed by percolation of these subcritical fluctuations. Our results are relevant to scenarios of baryogenesis that invoke a weakly first-order phase transition at the electroweak scale.

  19. Multiple state transition path sampling

    NASA Astrophysics Data System (ADS)

    Rogal, Jutta; Bolhuis, Peter G.

    2008-12-01

    We developed a multiple state transition path sampling (TPS) approach in which it is possible to simultaneously sample pathways connecting a number of different stable states. Based on the original formulation of the TPS we have extended the path ensemble to include trajectories connecting not only two distinct stable states but any two states defined within a system. The multiple state TPS approach is useful in complex systems exhibiting a number of intermediate stable states that are interconnected in phase space. Combining this approach with transition interface sampling we can also directly obtain an expression for the rate constants of all possible transitions within the system.

  20. Note: Multi channel Doppler tuned spectrometer to study highly charged ions.

    PubMed

    Karn, Ranjeet K; Mishra, C N; Ahmad, Nissar; Saini, S K; Safvan, C P; Nandi, T

    2014-06-01

    We describe the design and implementation of a multi channel Doppler tuned spectrometer setup to study physics of highly charged ions at high resolution in a direct way. A unique Soller slit assembly coupled with a long one dimensional position sensitive proportional counter enables us to get distinct x-ray peaks at different angles, which allows us to cover large number of angle in one shot. By using this setup, 1s2s (3)S1 - 1s(2) (1)S0 M1 transition in He-like Fe has been resolved from its satellite line 1s2s2p ⁴P(5/2)⁰ - 1s(2)2s (2)S(1/2) M2 transition in Li-like Fe and measured the lifetime of their respective upper levels with high precision.