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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. 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.

  7. 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.

  8. 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.

  9. 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 .

  10. 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.

  11. 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).

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. 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.

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

    NASA Astrophysics Data System (ADS)

    Sarkar, Saikat; Dey, Kamalendu

    2005-11-01

    A novel interesting hexadentate dibasic N 2S 2O 2 donor Schiff base ligand, H4dcsalpte, 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, H4dcsalpte, 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, 1H NMR, and Mössbauer) data. Based on magnetic susceptibility, Mössbauer and electronic spectral data the iron(III) complex [Fe III( H2dcsalpte)]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 III3( H2dcsalpte)( H3dcsalpte)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 H4dcsalpte and Co(CH 3COO) 2·4H 2O in ethanol under reflux gave two products, [Co( H2dcsalpte)]CH 3COO ( 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 C sbnd S 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 H4dcsalpte.

  1. 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.

  2. 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.

  3. 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).

  4. 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.

  5. 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.

  6. 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.

  7. 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].

  8. 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.

  9. 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].

  10. 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

  11. 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.

  12. 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.

  13. 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.

  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. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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).

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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…

  3. 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

  4. 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

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. (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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. (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

  2. 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

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. [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.

  11. 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-.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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).

  18. 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.

  19. 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.

  20. 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…

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  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. Transition metals

    PubMed Central

    Rodrigo-Moreno, Ana; Poschenrieder, Charlotte; Shabala, Sergey

    2013-01-01

    Transition metals such as Iron (Fe) and Copper (Cu) are essential for plant cell development. At the same time, due their capability to generate hydroxyl radicals they can be potentially toxic to plant metabolism. Recent works on hydroxyl-radical activation of ion transporters suggest that hydroxyl radicals generated by transition metals could play an important role in plant growth and adaptation to imbalanced environments. In this mini-review, the relation between transition metals uptake and utilization and oxidative stress-activated ion transport in plant cells is analyzed, and a new model depicting both apoplastic and cytosolic mode of ROS signaling to plasma membrane transporters is suggested. PMID:23333964

  12. 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.

  13. 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

  14. 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)

  15. 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.

  16. 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.

  17. 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…

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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)

  4. 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.

  5. 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.

  6. 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.

  7. 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…

  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. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. Transition to Adulthood

    MedlinePlus

    ... fix that! Keep reading… Back to top IDEA’s Definition of Transition Services Any discussion of transition services ... from special education. Back to top Considering the Definition A number of key words in the definition ...

  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: 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…

  19. 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:…

  20. 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.

  1. 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)].

  2. 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.

  3. 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.

  4. 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...

  5. 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.

  6. 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.

  7. [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.

  8. Transitional Division Algorithms.

    ERIC Educational Resources Information Center

    Laing, Robert A.; Meyer, Ruth Ann

    1982-01-01

    A survey of general mathematics students whose teachers were taking an inservice workshop revealed that they had not yet mastered division. More direct introduction of the standard division algorithm is favored in elementary grades, with instruction of transitional processes curtailed. Weaknesses in transitional algorithms appear to outweigh…

  9. 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,…

  10. 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…

  11. 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.

  12. 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,…

  13. 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…

  14. 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…

  15. 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…

  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. 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)

  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. 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.

  20. 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…

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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)

  8. Transit Timing Variations

    NASA Video Gallery

    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...

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Bridging the Transition Gap

    DTIC Science & Technology

    2013-05-23

    state and prevent instability agents from establishing 3Nicholas J. Armstrong and Jacqueline Chura-Beaver, Harnessing Post-Conflict Transition: A...reassessing the transition period with a wider range of stakeholder begins with a communal understanding of 118George K. Tanham, War without Guns ...Future.” Military Review (March/April 2006): 11. Armstrong, Nicholas J., and Jacqueline Chura-Beaver. Harnessing Post-Conflict. Carlisle, PA

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  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. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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…

  9. 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…

  10. 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.

  11. 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.

  12. 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.

  13. 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…

  14. 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…

  15. 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)…

  16. 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…

  17. 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…

  18. 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…

  19. 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.

  20. 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…

  1. 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…

  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. 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…

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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

  9. 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

  10. 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.

  11. 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

  12. 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

  13. 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

  14. 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

  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. 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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. The Need for Transition

    DTIC Science & Technology

    2013-05-01

    assumptions. According to the original plan and assumptions, the Iraqi Police forces, which intelligence sources asserted were going to capitulate and...higher. This was all a result of failed assumptions in the prewar planning. Colonel Gregory Gardner , a member of the Joint Staff and then also on the...Institute (PKSOI) held a two day conference with multiple forces and international partners involved just to try and define transition. Each one of these

  14. 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.

  15. 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 ...

  16. 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)

  17. 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)

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. 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

  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. 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.

  19. 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.

  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. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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...

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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…

  12. 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…

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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…

  18. 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…

  19. 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.

  20. 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…

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  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. 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.

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Empowering Students in Transition

    PubMed Central

    Sullivan, Ann-Catherine

    2016-01-01

    The purpose of this study was to (a) identify potential benefits for students with disabilities taking part in a physical activity program with same-age typical peers on a Midwest university campus and (b) to determine if the program impacted the students with disabilities empowerment. Empowerment theory was used to determine how transition students’ attitudes change over the course of the semester while participating in a workout buddy program with same-age college peers. The program was structured to provide a sense of empowerment to students to make their own decisions and learn for themselves so they do not feel a lack of power in their lives. This study implemented elements of a quantitative design but a majority utilized a qualitative design based on the assumptions of the Interpretivist paradigm. The quantitative design elements focused on the analysis of two questionnaires: Sports Questionnaire and the Perceived Control Scale Questionnaire. The analysis of the focus group data revealed the following themes as positive effects of the intervention: positive effect on empowerment, how happy the program made the students, what benefits the students gained from the program, the student’s familiarity with university students, and the environment, and, lastly, the students ability to ask for assistance when need. Findings from the study determined that the empowerment of the students with disabilities was impacted while participating in the program. In general, the findings of gaining empowerment were similar to previous studies in that students with disabilities are able to gain empowerment from participation in fitness and recreation programs. The researcher noted during focus groups that some of the Best of Both Worlds (BOBW) students were not confident in starting conversations with their university peers. Although the BOBW students felt a sense of losing empowerment with this specific instance, there was an overall positive impact on the BOBW students

  9. Immigration and adult transitions.

    PubMed

    Rumbaut, Rubén 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 Rubén Rumbaut and Golnaz Komaie, they differ significantly not only from one another but also from their native-parentage counterparts, including blacks and whites. The authors document the demographic changes in the United States over the past forty years and describe the ways in which generation and national origin shape the experiences of these newcomers as they become adults. Rumbaut and Komaie point out that immigrant groups experience gaps in social, economic, and legal status that are even greater than the gaps between native whites and blacks. By far the most-educated (Indians) and the least-educated (Mexicans) groups in the United States today are first-generation immigrants, as are the groups with the lowest poverty rate (Filipinos) and the highest poverty rate (Dominicans). These social and economic divides reflect three very different ways immigrants enter the country: through regular immigration channels, without legal authorization, or as state-sponsored refugees. For many ethnic groups, significant progress takes place from the first to the second generation. But, say the authors, for millions of young immigrants, a lack of legal permanent residency status blocks their prospects for social mobility. Having an undocumented status has become all the more consequential with the failure of Congress to pass comprehensive federal immigration reforms. In the coming two decades, as the U.S. native-parentage labor force continues to shrink, immigrants and their children are expected to account for most of the growth of the nation's labor force, with the fastest-growing occupations requiring college degrees. Rumbaut and Komaie stress that one key to the nation's future will be how it incorporates young adults of immigrant origin in its

  10. Empowering Students in Transition.

    PubMed

    Sullivan, Ann-Catherine

    2016-01-01

    The purpose of this study was to (a) identify potential benefits for students with disabilities taking part in a physical activity program with same-age typical peers on a Midwest university campus and (b) to determine if the program impacted the students with disabilities empowerment. Empowerment theory was used to determine how transition students' attitudes change over the course of the semester while participating in a workout buddy program with same-age college peers. The program was structured to provide a sense of empowerment to students to make their own decisions and learn for themselves so they do not feel a lack of power in their lives. This study implemented elements of a quantitative design but a majority utilized a qualitative design based on the assumptions of the Interpretivist paradigm. The quantitative design elements focused on the analysis of two questionnaires: Sports Questionnaire and the Perceived Control Scale Questionnaire. The analysis of the focus group data revealed the following themes as positive effects of the intervention: positive effect on empowerment, how happy the program made the students, what benefits the students gained from the program, the student's familiarity with university students, and the environment, and, lastly, the students ability to ask for assistance when need. Findings from the study determined that the empowerment of the students with disabilities was impacted while participating in the program. In general, the findings of gaining empowerment were similar to previous studies in that students with disabilities are able to gain empowerment from participation in fitness and recreation programs. The researcher noted during focus groups that some of the Best of Both Worlds (BOBW) students were not confident in starting conversations with their university peers. Although the BOBW students felt a sense of losing empowerment with this specific instance, there was an overall positive impact on the BOBW students

  11. Hybrid percolation transition in complex networks

    NASA Astrophysics Data System (ADS)

    Kahng, Byungnam

    Percolation has been one of the most applied statistical models. Percolation transition is one of the most robust continuous transitions known thus far. However, recent extensive researches reveal that it exhibits diverse types of phase transitions such as discontinuous and hybrid phase transitions. Here hybrid phase transition means the phase transition exhibiting natures of both continuous and discontinuous phase transitions simultaneously. Examples include k-core percolation, cascading failures in interdependent networks, synchronization, etc. Thus far, it is not manifest if the critical behavior of hybrid percolation transitions conforms to the conventional scaling laws of second-order phase transition. Here, we investigate the critical behaviors of hybrid percolation transitions in the cascading failure model in inter-dependent networks and the restricted Erdos-Renyi model. We find that the critical behaviors of the hybrid percolation transitions contain some features that cannot be described by the conventional theory of second-order percolation transitions.

  12. ISS Update: Transit of Venus

    NASA Video Gallery

    ISS Update commentator Brandi Dean interviews Mario Runco, NASA astronaut, about Venus's transit across the sun on June 5, 2012. Questions? Ask us on Twitter @NASA_Johnson and include the hashtag #...

  13. Magnetic fields from phase transitions

    NASA Astrophysics Data System (ADS)

    Hindmarsh, Mark; Everett, Allen

    1998-11-01

    The generation of primordial magnetic fields from cosmological phase transitions is discussed, paying particular attention to the electroweak transition and to the various definitions of the ``average'' field that have been put forward. It is emphasized that only the volume average has dynamical significance as a seed for galactic dynamos. On rather general grounds of causality and energy conservation, it is shown that, in the absence of MHD effects that transfer power in the magnetic field from small to large scales, processes occurring at the electroweak transition cannot generate fields stronger than 10-20 G on a scale of 0.5 Mpc. However, it is implausible that this upper bound could ever be reached, as it would require all the energy in the Universe to be turned into a magnetic field coherent at the horizon scale. Non-linear MHD effects seem therefore to be necessary if the electroweak transition is to create a primordial seed field.

  14. Moved by a Rapid Transit

    NASA Astrophysics Data System (ADS)

    Bueter, C.

    2013-04-01

    Enticing by virtue of its predictability, historical utility, and spectacle, the transit of Venus is a niche event among astronomical phenomena. Though the value of a transit for scientific purposes is now diminished, the brief appearance of Venus silhouetted against the background of the Sun in 2004 moved the artistic community to celebrate the rare alignment. Artists of all ages combined old traditions with fresh technology to create a 21st-century tapestry of music, sculpture, paintings, glasswork, quilts, sky shows, and digital imagery. A full catalog of transit-related art generated over the centuries would feature the sampling of entries presented here and at the Moved by a Rapid Transit website.

  15. Phase Transitions in Brownian Pumps

    NASA Astrophysics Data System (ADS)

    Dierl, Marcel; Dieterich, Wolfgang; Einax, Mario; Maass, Philipp

    2014-04-01

    We study stochastic particle transport between two reservoirs along a channel, where the particles are pumped against a bias by a traveling wave potential. It is shown that phase transitions of period-averaged densities or currents occur inside the channel when exclusion interactions between the particles are taken into account. These transitions reflect those known for the asymmetric simple exclusion process. We argue that their occurrence is a generic feature of Brownian motors operating in open systems.

  16. Universal Keplerian state transition matrix

    NASA Technical Reports Server (NTRS)

    Shepperd, S. W.

    1985-01-01

    A completely general method for computing the Keplerian state transition matrix in terms of Goodyear's universal variables is presented. This includes a new scheme for solving Kepler's problem which is a necessary first step to computing the transition matrix. The Kepler problem is solved in terms of a new independent variable requiring the evaluation of only one transcendental function. Furthermore, this transcendental function may be conveniently evaluated by means of a Gaussian continued fraction.

  17. Boundary layer transition studies

    NASA Technical Reports Server (NTRS)

    Watmuff, Jonathan H.

    1995-01-01

    A small-scale wind tunnel previously used for turbulent boundary layer experiments was modified for two sets of boundary layer transition studies. The first study concerns a laminar separation/turbulent reattachment. The pressure gradient and unit Reynolds number are the same as the fully turbulent flow of Spalart and Watmuff. Without the trip wire, a laminar layer asymptotes to a Falkner & Skan similarity solution in the FPG. Application of the APG causes the layer to separate and a highly turbulent and approximately 2D mean flow reattachment occurs downstream. In an effort to gain some physical insight into the flow processes a small impulsive disturbance was introduced at the C(sub p) minimum. The facility is totally automated and phase-averaged data are measured on a point-by-point basis using unprecedently large grids. The evolution of the disturbance has been tracked all the way into the reattachment region and beyond into the fully turbulent boundary layer. At first, the amplitude decays exponentially with streamwise distance in the APG region, where the layer remains attached, i.e. the layer is viscously stable. After separation, the rate of decay slows, and a point of minimum amplitude is reached where the contours of the wave packet exhibit dispersive characteristics. From this point, exponential growth of the amplitude of the disturbance is observed in the detached shear layer, i.e. the dominant instability mechanism is inviscid. A group of large-scale 3D vortex loops emerges in the vicinity of the reattachment. Remarkably, the second loop retains its identify far downstream in the turbulent boundary layer. The results provide a level of detail usually associated with CFD. Substantial modifications were made to the facility for the second study concerning disturbances generated by Suction Holes for laminar flow Control (LFC). The test section incorporates suction through interchangeable porous test surfaces. Detailed studies have been made using isolated

  18. Boundary layer transition studies

    NASA Astrophysics Data System (ADS)

    Watmuff, Jonathan H.

    1995-02-01

    A small-scale wind tunnel previously used for turbulent boundary layer experiments was modified for two sets of boundary layer transition studies. The first study concerns a laminar separation/turbulent reattachment. The pressure gradient and unit Reynolds number are the same as the fully turbulent flow of Spalart and Watmuff. Without the trip wire, a laminar layer asymptotes to a Falkner & Skan similarity solution in the FPG. Application of the APG causes the layer to separate and a highly turbulent and approximately 2D mean flow reattachment occurs downstream. In an effort to gain some physical insight into the flow processes a small impulsive disturbance was introduced at the C(sub p) minimum. The facility is totally automated and phase-averaged data are measured on a point-by-point basis using unprecedently large grids. The evolution of the disturbance has been tracked all the way into the reattachment region and beyond into the fully turbulent boundary layer. At first, the amplitude decays exponentially with streamwise distance in the APG region, where the layer remains attached, i.e. the layer is viscously stable. After separation, the rate of decay slows, and a point of minimum amplitude is reached where the contours of the wave packet exhibit dispersive characteristics. From this point, exponential growth of the amplitude of the disturbance is observed in the detached shear layer, i.e. the dominant instability mechanism is inviscid. A group of large-scale 3D vortex loops emerges in the vicinity of the reattachment. Remarkably, the second loop retains its identify far downstream in the turbulent boundary layer. The results provide a level of detail usually associated with CFD. Substantial modifications were made to the facility for the second study concerning disturbances generated by Suction Holes for laminar flow Control (LFC). The test section incorporates suction through interchangeable porous test surfaces. Detailed studies have been made using isolated

  19. Magnetic and magnetocaloric properties of DyMn2Si2 compound with multiple magnetic phase transition

    NASA Astrophysics Data System (ADS)

    dos Reis, D. C.; França, E. L. T.; de Paula, V. G.; dos Santos, A. O.; Coelho, A. A.; Cardoso, L. P.; da Silva, L. M.

    2017-02-01

    Structural, magnetic and magnetocaloric properties of the ternary intermetallic compound DyMn2Si2 are studied by X-ray diffraction and magnetization measurements. It is found that DyMn2Si2 crystalizes with tetragonal ThCr2S2-type structure and exhibits four successive magnetic transitions at low temperature, around 20 K, 31 K, 38 K and 82 K, named respectively as T1, T2, T3 and T4 transitions. Large values of magnetic field (>35 kOe) favor antiferromagnetic clusters and give rise to exchange bias effect. The different responses of T2 and T3 to field change, induces two non-identical isothermal entropy change (-ΔSM) peaks. The maximum values of -ΔSM occur in temperatures around T3 and reaches 8.2 J/kgK, for a magnetic field change of 50 kOe. Also, the presence of transitions T2 and T3 close to each other induces a table-like magnetocaloric effect (MCE) in a wide temperature range. Thus, the peculiar magnetic properties observed for DyMn2Si2 compound are interesting for low temperature magnetic refrigeration.

  20. Transition boiling heat transfer and the film transition regime

    NASA Technical Reports Server (NTRS)

    Ramilison, J. M.; Lienhard, J. H.

    1987-01-01

    The Berenson (1960) flat-plate transition-boiling experiment has been recreated with a reduced thermal resistance in the heater, and an improved access to those portions of the transition boiling regime that have a steep negative slope. Tests have been made in Freon-113, acetone, benzene, and n-pentane boiling on horizontal flat copper heaters that have been mirror-polished, 'roughened', or teflon-coated. The resulting data reproduce and clarify certain features observed by Berenson: the modest surface finish dependence of boiling burnout, and the influence of surface chemistry on both the minimum heat flux and the mode of transition boiling, for example. A rational scheme of correlation yields a prediction of the heat flux in what Witte and Lienhard (1982) previously identified as the 'film-transition boiling' region. It is also shown how to calculate the heat flux at the boundary between the pure-film, and the film-transition, boiling regimes, as a function of the advancing contact angle.

  1. GATE (Gaia Transiting Exoplanets): Detecting Transiting Exoplanets with Gaia

    NASA Astrophysics Data System (ADS)

    Zucker, Shay; Eyer, Laurent; Hodgkin, Simon; Clementini, Gisella

    2016-10-01

    Gaia will have a revolutionary impact on most fields of astronomy. However, its scanning law is too sparse for traditional transit detection approaches (de Bruijne 2012). Practically, only stars brighter than 16th magnitude are relevant for follow-up of transiting exoplanets. For those stars, Gaia's precision is of the order of 1 mmag (Eyer et al. 2015). On average, Gaia will have sampled each target 70 times, but certain stars may be observed as many as 200 times (Voss et al. 2013). Hipparcos scanning law was similar, but its precision much worse. Nevertheless the transit of HD209458 could be seen, aposteriori, in Hipparcos' data (Söderhelm 1999). This inspired our GATE initiative.

  2. Electronic Transitions of Ruthenium Monoxide

    NASA Astrophysics Data System (ADS)

    Wang, Na; Ng, Y. W.; Cheung, A. S.-C.

    2013-06-01

    The electronic transition spectrum of ruthenium monoxide (RuO) molecule in the spectral region between 545nm to 640nm has been recorded and analyzed using laser ablation/reaction free-jet expansion and laser induced fluorescence spectroscopy. The RuO molecule was produced by reacting laser- ablated ruthenium atoms with N_{2}O seeded in argon. Nine vibrational bands were recorded and they are identified to be belonging to four electronic transition systems, namely the [18.1]Ω = 4 - X^{5} Δ_4 transition, [16.0]^{5} Φ_5 - X^{5} Δ_4 transition, [18.1]Ω = 3 - X^{5} Δ_3, and [15.8] ^{5} Φ_4 - X^{5} Δ_3 transition. RuO has been determined to have a X^{5} Δ_4 ground state. A least squares fit of the measured rotational lines yielded molecular constants for the ground and the low-lying electronic states. A molecular orbital energy level diagram has been used to help with the assignment of the observed electronic states.

  3. Observation of optomechanical buckling transitions

    PubMed Central

    Xu, H.; Kemiktarak, U.; Fan, J.; Ragole, S.; Lawall, J.; Taylor, J. M.

    2017-01-01

    Correlated phases of matter provide long-term stability for systems as diverse as solids, magnets and potential exotic quantum materials. Mechanical systems, such as buckling transition spring switches, can have engineered, stable configurations whose dependence on a control variable is reminiscent of non-equilibrium phase transitions. In hybrid optomechanical systems, light and matter are strongly coupled, allowing engineering of rapid changes in the force landscape, storing and processing information, and ultimately probing and controlling behaviour at the quantum level. Here we report the observation of first- and second-order buckling transitions between stable mechanical states in an optomechanical system, in which full control of the nature of the transition is obtained by means of the laser power and detuning. The underlying multiwell confining potential we create is highly tunable, with a sub-nanometre distance between potential wells. Our results enable new applications in photonics and information technology, and may enable explorations of quantum phase transitions and macroscopic quantum tunnelling in mechanical systems. PMID:28248293

  4. Electromechanical transition in quantum dots

    NASA Astrophysics Data System (ADS)

    Micchi, G.; Avriller, R.; Pistolesi, F.

    2016-09-01

    The strong coupling between electronic transport in a single-level quantum dot and a capacitively coupled nanomechanical oscillator may lead to a transition towards a mechanically bistable and blocked-current state. Its observation is at reach in carbon-nanotube state-of-art experiments. In a recent publication [Phys. Rev. Lett. 115, 206802 (2015), 10.1103/PhysRevLett.115.206802] we have shown that this transition is characterized by pronounced signatures on the oscillator mechanical properties: the susceptibility, the displacement fluctuation spectrum, and the ring-down time. These properties are extracted from transport measurements, however the relation between the mechanical quantities and the electronic signal is not always straightforward. Moreover the dependence of the same quantities on temperature, bias or gate voltage, and external dissipation has not been studied. The purpose of this paper is to fill this gap and provide a detailed description of the transition. Specifically we find (i) the relation between the current-noise and the displacement spectrum; (ii) the peculiar behavior of the gate-voltage dependence of these spectra at the transition; (iii) the robustness of the transition towards the effect of external fluctuations and dissipation.

  5. Observation of optomechanical buckling transitions

    NASA Astrophysics Data System (ADS)

    Xu, H.; Kemiktarak, U.; Fan, J.; Ragole, S.; Lawall, J.; Taylor, J. M.

    2017-03-01

    Correlated phases of matter provide long-term stability for systems as diverse as solids, magnets and potential exotic quantum materials. Mechanical systems, such as buckling transition spring switches, can have engineered, stable configurations whose dependence on a control variable is reminiscent of non-equilibrium phase transitions. In hybrid optomechanical systems, light and matter are strongly coupled, allowing engineering of rapid changes in the force landscape, storing and processing information, and ultimately probing and controlling behaviour at the quantum level. Here we report the observation of first- and second-order buckling transitions between stable mechanical states in an optomechanical system, in which full control of the nature of the transition is obtained by means of the laser power and detuning. The underlying multiwell confining potential we create is highly tunable, with a sub-nanometre distance between potential wells. Our results enable new applications in photonics and information technology, and may enable explorations of quantum phase transitions and macroscopic quantum tunnelling in mechanical systems.

  6. Simulation methods for looping transitions.

    PubMed

    Gaffney, B J; Silverstone, H J

    1998-09-01

    Looping transitions occur in field-swept electron magnetic resonance spectra near avoided crossings and involve a single pair of energy levels that are in resonance at two magnetic field strengths, before and after the avoided crossing. When the distance between the two resonances approaches a linewidth, the usual simulation of the spectra, which results from a linear approximation of the dependence of the transition frequency on magnetic field, breaks down. A cubic approximation to the transition frequency, which can be obtained from the two resonance fields and the field-derivatives of the transition frequencies, along with linear (or better) interpolation of the transition-probability factor, restores accurate simulation. The difference is crucial for accurate line shapes at fixed angles, as in an oriented single crystal, but the difference turns out to be a smaller change in relative intensity for a powder spectrum. Spin-3/2 Cr3+ in ruby and spin-5/2 Fe3+ in transferrin oxalate are treated as examples.

  7. Major transitions in human evolution

    PubMed Central

    Foley, Robert A.; Martin, Lawrence; Mirazón Lahr, Marta; Stringer, Chris

    2016-01-01

    Evolutionary problems are often considered in terms of ‘origins', and research in human evolution seen as a search for human origins. However, evolution, including human evolution, is a process of transitions from one state to another, and so questions are best put in terms of understanding the nature of those transitions. This paper discusses how the contributions to the themed issue ‘Major transitions in human evolution’ throw light on the pattern of change in hominin evolution. Four questions are addressed: (1) Is there a major divide between early (australopithecine) and later (Homo) evolution? (2) Does the pattern of change fit a model of short transformations, or gradual evolution? (3) Why is the role of Africa so prominent? (4) How are different aspects of adaptation—genes, phenotypes and behaviour—integrated across the transitions? The importance of developing technologies and approaches and the enduring role of fieldwork are emphasized. This article is part of the themed issue ‘Major transitions in human evolution’. PMID:27298461

  8. Observation of optomechanical buckling transitions.

    PubMed

    Xu, H; Kemiktarak, U; Fan, J; Ragole, S; Lawall, J; Taylor, J M

    2017-03-01

    Correlated phases of matter provide long-term stability for systems as diverse as solids, magnets and potential exotic quantum materials. Mechanical systems, such as buckling transition spring switches, can have engineered, stable configurations whose dependence on a control variable is reminiscent of non-equilibrium phase transitions. In hybrid optomechanical systems, light and matter are strongly coupled, allowing engineering of rapid changes in the force landscape, storing and processing information, and ultimately probing and controlling behaviour at the quantum level. Here we report the observation of first- and second-order buckling transitions between stable mechanical states in an optomechanical system, in which full control of the nature of the transition is obtained by means of the laser power and detuning. The underlying multiwell confining potential we create is highly tunable, with a sub-nanometre distance between potential wells. Our results enable new applications in photonics and information technology, and may enable explorations of quantum phase transitions and macroscopic quantum tunnelling in mechanical systems.

  9. Phonon Analysis in Multiphonon Transitions

    NASA Astrophysics Data System (ADS)

    Huang, Kun; Gu, Zongquan

    In the investigation of multiphonon transitions, single-mode or single-frequency models are widely used. In view of the fact that such oversimplified models can be seriously inadequate, the present work bridges the gap between the complexity of the general formal theory and the simplicity required for concrete applications by introducing the concept of multi-frequency models. That is, the theory is so formulated that a general system can be approximated by multi-frequency models of any degree of elaboration. A statistical thermodynamic formalism is developed for treating such multi-frequency models, which, on the one hand, greatly reduces the labour of calculation with such models and, on the other hand, leads directly to a simple statistical distribution law for numbers of phonons of each frequency participating in a multiphonon transition. Applications of the theory to concrete models lead to certain general conclusions on frequency dispersion effects in multiphonon transitions. The use of the theory is further demonstrated by fully accounting for the paradoxical experimental results reported by Jia and Yen that the isotopic substitution of H by D in CsMn Cl3· 2H2O reduces the multiphonon nonradiative transition probability of excited Mn2+ ion by more than ten-fold, and yet leaves the corresponding luminescence phonon sideband little changed. In the last section of the paper, the relation between the statistical thermodynamic formalism and existing multiphonon transition theory is elucidated, thereby the theoretical basis of the statistical formalism becomes clearly defined.

  10. The major synthetic evolutionary transitions

    PubMed Central

    Solé, Ricard

    2016-01-01

    Evolution is marked by well-defined events involving profound innovations that are known as ‘major evolutionary transitions'. They involve the integration of autonomous elements into a new, higher-level organization whereby the former isolated units interact in novel ways, losing their original autonomy. All major transitions, which include the origin of life, cells, multicellular systems, societies or language (among other examples), took place millions of years ago. Are these transitions unique, rare events? Have they instead universal traits that make them almost inevitable when the right pieces are in place? Are there general laws of evolutionary innovation? In order to approach this problem under a novel perspective, we argue that a parallel class of evolutionary transitions can be explored involving the use of artificial evolutionary experiments where alternative paths to innovation can be explored. These ‘synthetic’ transitions include, for example, the artificial evolution of multicellular systems or the emergence of language in evolved communicating robots. These alternative scenarios could help us to understand the underlying laws that predate the rise of major innovations and the possibility for general laws of evolved complexity. Several key examples and theoretical approaches are summarized and future challenges are outlined. This article is part of the themed issue ‘The major synthetic evolutionary transitions’. PMID:27431528

  11. Electron Impact Excitation of Forbidden and Allowed Transitions in O(II)

    NASA Technical Reports Server (NTRS)

    Tayal, S. S.

    2006-01-01

    The B-spline R-matrix method is used to investigate the electron impact excitation of forbidden and allowed transitions in singly ionized oxygen. The relativistic effects have been incorporated in the Breit-Pauli Hamiltonian. Flexible non-orthogonal sets of radial functions are used to obtain accurate target description and to represent the scattering functions. The 47 fine-structure levels of the 2s(sup 2)2p(sup 3), 2s2p(sup 4), 2s(sup 2)2p(sup 2)3s, 2s(sup 2)2p(sup 2)3p and 2s(sup 2)2p(sup 2)3d configurations have been included in the scattering calculation. A calculation with 62 levels in the close-coupling expansion using the Breit-Pauli R-matrix (BPRM) method with orthogonal radial functions has also been carried out to check electron correlation, relativistic and channel coupling effects. The present results are in good agreement with the previous 16-level BPRM calculation by Montenegro et a1 (2006 J. Phys. B: At. Mol. Opt. Phys. 39 1863-77) for the forbidden transitions, but differ from the 21-level BPRM calculation by McLaughlin and Bell (1998 J. Phys. B: At. Mol. Opt. Phys. 31 4317-29). Our cross sections for the first forbidden (sup 4)S(sup o)-(sup 2)D(sup o)and resonance (sup 4)S(sup o)-2s(sup 2)p(sup 4) (sup 4)P transitions are in reasonably good agreement with the electron energy-loss and merged-beams experiment.

  12. Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Landé gJ-factors in nitrogen-like Kr XXX

    NASA Astrophysics Data System (ADS)

    Wang, K.; Li, S.; Jönsson, P.; Fu, N.; Dang, W.; Guo, X. L.; Chen, C. Y.; Yan, J.; Chen, Z. B.; Si, R.

    2017-01-01

    Extensive self-consistent multi-configuration Dirac-Fock (MCDF) calculations and second-order many-body perturbation theory (MBPT) calculations are performed for the lowest 272 states belonging to the 2s22p3, 2s2p4, 2p5, 2s22p23l, and 2s2p33l (l=s, p, d) configurations of N-like Kr XXX. Complete and consistent data sets of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, AJ, BJ hyperfine interaction constants, Landé gJ-factors, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among all these levels are given. The present MCDF and MBPT results are compared with each other and with other available experimental and theoretical results. The mean relative difference between our two sets of level energies is only about 0.003% for these 272 levels. The accuracy of the present calculations are high enough to facilitate identification of many observed spectral lines. These accurate data can be served as benchmark for other calculations and can be useful for fusion plasma research and astrophysical applications.

  13. Extended calculations of level and transition properties in the nitrogen isoelectronic sequence: Cr XVIII, Fe XX, Ni XXII, and Zn XXIV

    NASA Astrophysics Data System (ADS)

    Radžiūtė, L.; Ekman, J.; Jönsson, P.; Gaigalas, G.

    2015-10-01

    Extensive multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations and relativistic configuration interaction (RCI) calculations are performed for 272 states of the 2s22p3, 2s2p4, 2p5, 2s22p23l, 2s2p33l, and 2p43l (l = 0,1,2) configurations in the nitrogen-like ions Cr XVIII, Fe XX, Ni XXII, and Zn XXIV. Valence, core-valence, and core-core electron correlation effects are accounted for through large configuration state function expansions. Calculated energy levels are compared with data from other calculations and with experimental data from the NIST database. Landé gJ-factors; hyperfine structures; isotope shifts; and radiative electric dipole (E1), electric quadrupole (E2), and magnetic dipole (M1) transition rates are given for all ions. The accuracy of the calculated energy levels is high enough to facilitate identification of observed spectral lines involving the 2l43l' configurations, for which experimental data are largely missing. Tables 5-21 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/582/A61

  14. 33 CFR 401.74 - Transit declaration.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 33 Navigation and Navigable Waters 3 2013-07-01 2013-07-01 false Transit declaration. 401.74... Transit declaration. (a) Seaway Transit Declaration Form (Cargo and Passenger) shall be forwarded to the... ships, within fourteen days after the vessel enters the Seaway on any upbound or downbound transit....

  15. 33 CFR 401.74 - Transit declaration.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 33 Navigation and Navigable Waters 3 2014-07-01 2014-07-01 false Transit declaration. 401.74... Transit declaration. (a) A Seaway Transit Declaration Form (Cargo and Passenger) shall be forwarded to the... bound transit. The form may be obtained from the St. Lawrence Management Corporation, 151 Ecluse...

  16. 33 CFR 401.74 - Transit declaration.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 33 Navigation and Navigable Waters 3 2012-07-01 2012-07-01 false Transit declaration. 401.74... Transit declaration. (a) Seaway Transit Declaration Form (Cargo and Passenger) shall be forwarded to the... ships, within fourteen days after the vessel enters the Seaway on any upbound or downbound transit....

  17. 33 CFR 401.74 - Transit declaration.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 33 Navigation and Navigable Waters 3 2010-07-01 2010-07-01 false Transit declaration. 401.74... Transit declaration. (a) Seaway Transit Declaration Form (Cargo and Passenger) shall be forwarded to the... ships, within fourteen days after the vessel enters the Seaway on any upbound or downbound transit....

  18. 33 CFR 401.74 - Transit declaration.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 33 Navigation and Navigable Waters 3 2011-07-01 2011-07-01 false Transit declaration. 401.74... Transit declaration. (a) Seaway Transit Declaration Form (Cargo and Passenger) shall be forwarded to the... ships, within fourteen days after the vessel enters the Seaway on any upbound or downbound transit....

  19. Individualized Transition Plans (ITP): A National Perspective.

    ERIC Educational Resources Information Center

    Repetto, Jeanne B.; And Others

    1990-01-01

    Information concerning implementation of Individualized Transition Plans (ITP) was collected from 46 states and analyzed to determine documentation used in transition planning, relationship between the ITP and Individualized Education Programs, age for beginning transition planning, individuals involved in transition planning, and issues addressed…

  20. 10 CFR 5.230 - Transition plans.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable...

  1. 29 CFR 36.230 - Transition plans.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Transition plans. 36.230 Section 36.230 Labor Office of the... FEDERAL FINANCIAL ASSISTANCE Coverage § 36.230 Transition plans. (a) Submission of plans. An institution... submit either a single transition plan applicable to all such units, or a separate transition...

  2. 18 CFR 1317.230 - Transition plans.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 18 Conservation of Power and Water Resources 2 2010-04-01 2010-04-01 false Transition plans. 1317... Coverage § 1317.230 Transition plans. (a) Submission of plans. An institution to which § 1317.225 applies... transition plan applicable to all such units, or a separate transition plan applicable to each such unit....

  3. 7 CFR 15a.18 - Transition plans.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 1 2014-01-01 2014-01-01 false Transition plans. 15a.18 Section 15a.18 Agriculture... FEDERAL FINANCIAL ASSISTANCE Coverage § 15a.18 Transition plans. (a) Submission of plans. An institution... submit either a single transition plan applicable to all such units, or a separate transition...

  4. 10 CFR 5.230 - Transition plans.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 1 2014-01-01 2014-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable...

  5. 36 CFR 1211.230 - Transition plans.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 36 Parks, Forests, and Public Property 3 2012-07-01 2012-07-01 false Transition plans. 1211.230... FINANCIAL ASSISTANCE Coverage § 1211.230 Transition plans. (a) Submission of plans. An institution to which... a single transition plan applicable to all such units, or a separate transition plan applicable...

  6. 7 CFR 15a.18 - Transition plans.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 1 2013-01-01 2013-01-01 false Transition plans. 15a.18 Section 15a.18 Agriculture... FEDERAL FINANCIAL ASSISTANCE Coverage § 15a.18 Transition plans. (a) Submission of plans. An institution... submit either a single transition plan applicable to all such units, or a separate transition...

  7. 44 CFR 19.230 - Transition plans.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 44 Emergency Management and Assistance 1 2012-10-01 2011-10-01 true Transition plans. 19.230... RECEIVING FEDERAL FINANCIAL ASSISTANCE Coverage § 19.230 Transition plans. (a) Submission of plans. An... submit either a single transition plan applicable to all such units, or a separate transition...

  8. 10 CFR 5.230 - Transition plans.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable...

  9. 45 CFR 2555.230 - Transition plans.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 4 2012-10-01 2012-10-01 false Transition plans. 2555.230 Section 2555.230 Public... Coverage § 2555.230 Transition plans. (a) Submission of plans. An institution to which § 2555.225 applies... transition plan applicable to all such units, or a separate transition plan applicable to each such unit....

  10. 29 CFR 36.230 - Transition plans.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 1 2014-07-01 2013-07-01 true Transition plans. 36.230 Section 36.230 Labor Office of the... FEDERAL FINANCIAL ASSISTANCE Coverage § 36.230 Transition plans. (a) Submission of plans. An institution... submit either a single transition plan applicable to all such units, or a separate transition...

  11. 7 CFR 15a.18 - Transition plans.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 1 2012-01-01 2012-01-01 false Transition plans. 15a.18 Section 15a.18 Agriculture... FEDERAL FINANCIAL ASSISTANCE Coverage § 15a.18 Transition plans. (a) Submission of plans. An institution... submit either a single transition plan applicable to all such units, or a separate transition...

  12. 32 CFR 196.230 - Transition plans.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 32 National Defense 2 2012-07-01 2012-07-01 false Transition plans. 196.230 Section 196.230... FINANCIAL ASSISTANCE Coverage § 196.230 Transition plans. (a) Submission of plans. An institution to which... a single transition plan applicable to all such units, or a separate transition plan applicable...

  13. 32 CFR 196.230 - Transition plans.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 32 National Defense 2 2013-07-01 2013-07-01 false Transition plans. 196.230 Section 196.230... FINANCIAL ASSISTANCE Coverage § 196.230 Transition plans. (a) Submission of plans. An institution to which... a single transition plan applicable to all such units, or a separate transition plan applicable...

  14. 36 CFR 1211.230 - Transition plans.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false Transition plans. 1211.230... FINANCIAL ASSISTANCE Coverage § 1211.230 Transition plans. (a) Submission of plans. An institution to which... a single transition plan applicable to all such units, or a separate transition plan applicable...

  15. 32 CFR 196.230 - Transition plans.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 32 National Defense 2 2011-07-01 2011-07-01 false Transition plans. 196.230 Section 196.230... FINANCIAL ASSISTANCE Coverage § 196.230 Transition plans. (a) Submission of plans. An institution to which... a single transition plan applicable to all such units, or a separate transition plan applicable...

  16. 10 CFR 5.230 - Transition plans.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 1 2011-01-01 2011-01-01 false Transition plans. 5.230 Section 5.230 Energy NUCLEAR... FEDERAL FINANCIAL ASSISTANCE Coverage § 5.230 Transition plans. (a) Submission of plans. An institution to... either a single transition plan applicable to all such units, or a separate transition plan applicable...

  17. 7 CFR 15a.18 - Transition plans.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 1 2011-01-01 2011-01-01 false Transition plans. 15a.18 Section 15a.18 Agriculture... FEDERAL FINANCIAL ASSISTANCE Coverage § 15a.18 Transition plans. (a) Submission of plans. An institution... submit either a single transition plan applicable to all such units, or a separate transition...

  18. Sliding Over a Phase Transition

    NASA Astrophysics Data System (ADS)

    Tosatti, Erio; Benassi, Andrea; Vanossi, Andrea; Santoro, Giuseppe E.

    2011-03-01

    The frictional response experienced by a stick-slip slider when a phase transition occurs in the underlying solid substrate is a potentially exciting, poorly explored problem. We show, based on 2-dimensional simulations modeling the sliding of a nanotip, that indeed friction may be heavily affected by a continuous structural transition. First, friction turns nonmonotonic as temperature crosses the transition, peaking at the critical temperature Tc where fluctuations are strongest. Second, below Tc friction depends upon order parameter directions, and is much larger for those where the frictional slip can cause a local flip. This may open a route towards control of atomic scale friction by switching the order parameter direction by an external field or strain, with possible application to e.g., displacive ferroelectrics such as BaTi O3 , as well as ferro- and antiferro-distortive materials. Supported by project ESF FANAS/AFRI sponsored by the Italian Research Council (CNR).

  19. Electronic transitions of iridium monophosphide

    NASA Astrophysics Data System (ADS)

    Yang, M.; Chan, Man-Chor; Cheung, A. S.-C.

    2016-05-01

    Laser induced fluorescence spectrum of IrP in the near infrared spectral region between 720 and 820 nm has been recorded and analyzed. Six vibrational bands with resolved rotational structure for both 191IrP and 193IrP were analyzed, they have been grouped into three new electronic transitions: the [13.6] Ω = 2 - a3Π2, the [12.3]1Π1-X1Σ+, and the [12.7]1Π1-X1Σ+ transitions. Ab initio calculation results were used to aid the assignment of the observed transitions. A new triplet state has been observed for the first time. The observed electronic states of IrP are compared with those of the isovalent IrN molecule.

  20. Alternative approaches to fertility transition.

    PubMed

    Micheli, G A

    1995-01-01

    "Using anomalies of the Italian case as the basis, the aim of this article is to verify how the theoretical framework [of demographic transition] put forward by Lesthaeghe can be interpreted.... While the changes in mores in the Italy of the economic boom were a component of the large-scale processes of secularization, rationalization and modernization specific to the [first demographic transition], the practices, values and models of the collective imagination characterizing the second phase of Lesthaeghe's [second demographic transition] are marked by a state of mind that cannot be put down to the 'spirit of the age' during the years of large-scale modernization, but to the emancipatory and 'rational' falling away of many of the barriers to the unfolding of individual life destiny over and above that based on class, gender and age."

  1. Transition metals in superheat melts

    NASA Technical Reports Server (NTRS)

    Jakes, Petr; Wolfbauer, Michael-Patrick

    1993-01-01

    A series of experiments with silicate melts doped with transition element oxides was carried out at atmospheric pressures of inert gas at temperatures exceeding liquidus. As predicted from the shape of fO2 buffer curves in T-fO2 diagrams the reducing conditions for a particular oxide-metal pair can be achieved through the T increase if the released oxygen is continuously removed. Experimental studies suggest that transition metals such as Cr or V behave as siderophile elements at temperatures exceeding liquidus temperatures if the system is not buffered by the presence of other oxide of more siderophile element. For example the presence of FeO prevents the reduction of Cr2O3. The sequence of decreasing siderophility of transition elements at superheat conditions (Mo, Ni, Fe, Cr) matches the decreasing degree of depletion of siderophile elements in mantle rocks as compared to chondrites.

  2. Reactivity of transition metal solvates

    NASA Astrophysics Data System (ADS)

    Berezin, Boris D.

    1991-09-01

    Reactivity data are generalised for one of the most important classes of complexes, solvates, which are quantitatively nearly unstudied. Various approaches to studying and describing the reactivity are compared with respect to solvation of the reagents and the transition state. The specifics and mechanism of ligand substitution in pure and mixed organic solvents are found. The reactivity of simple (homoleptic) and mixed solvates toward macrocycles is examined in detail using porphyrins as an example. The kinetic method of indicator reactions is applied to porphyrins in order to study the state of transition metal salts in organic solvents and the stability of the coordination spheres of acidosalts (MXnn-2), acidosolvates (MX2Sn-2) and their transition states. The concentration dependence of the rate constant of an indicator reaction is demonstrated to be due to a change in the inner coordination sphere and a shift of equilibria between the various coordination complexes. The bibliography includes 38 references.

  3. Presidential Transition Teams: Fostering a Collaborative Transition Process

    ERIC Educational Resources Information Center

    Artman, Richard B.; Franz, Mark

    2009-01-01

    Whether hiring a sitting president or one beginning a first presidency, the board of trustees should be keenly interested in ensuring that the new president's first months in office flow as smoothly as possible. Increasing attention has been paid in recent years to the idea of using a transition team to assist the new president. Using a transition…

  4. Wetting transition on patterned surfaces: transition states and energy barriers.

    PubMed

    Ren, Weiqing

    2014-03-18

    We study the wetting transition on microstructured hydrophobic surfaces. We use the string method [J. Chem. Phys. 2007, 126, 164103; J. Chem. Phys. 2013, 138, 134105] to accurately compute the transition states, the energy barriers, and the minimum energy paths for the wetting transition from the Cassie-Baxter state to the Wenzel state. Numerical results are obtained for the wetting of a hydrophobic surface textured with a square lattice of pillars. It is found that the wetting of the solid substrate occurs via infiltration of the liquid in a single groove, followed by lateral propagation of the liquid front. The propagation of the liquid front proceeds in a stepwise manner, and a zipping mechanism is observed during the infiltration of each layer. The minimum energy path for the wetting transition goes through a sequence of intermediate metastable states, whose wetted areas reflect the microstructure of the patterned surface. We also study the dependence of the energy barrier on the drop size and the gap between the pillars.

  5. Theoretical Studies of Atomic Transitions

    SciTech Connect

    Charlotte Froese Fischer

    2005-07-08

    Atomic structure calculations were performed for properties such as energy levels, binding energies, transition probabilities, lifetimes, hyperfine structure, and isotope shifts. Accurate computational procedures were devised so that properties could be predicted even when they could not be obtained from experiment, and to assist in the identification of observed data. The method used was the multiconfiguration Hartree-Fock (MCHF) method, optionally corrected for relativistic effects in the Breit-Pauli approximation. Fully relativistic Dirac-Fock calculations also were performed using the GRASP code A database of energy levels, lifetimes, and transition probabilities was designed and implemented and, at present, includes many results for Be-like to Ar-like.

  6. Thailand's Work and Health Transition.

    PubMed

    Kelly, Matthew; Strazdins, Lyndall; Dellora, Tarie; Khamman, Suwanee; Seubsman, Sam-Ang; Sleigh, Adrian C

    2010-09-01

    Thailand has experienced a rapid economic transition from agriculture to industry and services, and from informal to formal employment. It has much less state regulation and worker representation relative to developed nations, who underwent these transitions more slowly and sequentially, decades earlier. We examine the strengthening of Thai government policy and legislation affecting worker's health, responding to international norms, a new democratic constitution, fear of foreign importer embargos and several fatal workplace disasters. We identify key challenges remaining for Thai policy makers, including legislation enforcement and the measurement of impacts on worker's mental and physical health.

  7. William Crabtree's Venus transit observation

    NASA Astrophysics Data System (ADS)

    Kollerstrom, Nicholas

    2005-04-01

    The close collaboration between the two North-country astronomers Jeremiah Horrocks and William Crabtree gave them special insight into the new astronomy published by the recently-deceased Kepler, whereby Horrocks became the only person to apprehend that the Rudolphine tables were in fact predicting a Venus transit in 1639. This paper focuses especially upon William Crabtree's role and contribution. A comparison is made with an earlier, unsuccessful endeavour by these two concerning a possible transit of Mercury. Much of the record of their work was lost during the civil war. Finally, thanks to Christiaan Huygens, Horrock's manuscript was published by Johannes Hevelius in Danzig, in 1662.

  8. Mode Transition of Trichel pulses

    NASA Astrophysics Data System (ADS)

    Kexin, Zhang; Yongjun, Piao; Miao, Tang; Jingfeng, Tang; Liqiu, Wei; Chaohai, Zhang

    2015-11-01

    The trichel pulse is a typical kind of negative corona current observed in electronegative gases. In this work, stochastic behavior of the trichel pulse has been investigated. The experiment is performed in a negative corona reactor consisting of a stainless steel pin and a stainless steel powered by a dc high voltage source. The characteristic parameters distributions of corona current pulses, including the amplitude, rise time, half-wave time, and repetition frequency, are analyzed statistically. The results show there is a mode transition during the period of voltage increasing. This transition process happens in a certain voltage region, and change of pulse amplitude is the main difference between the two modes.

  9. Probabilities of transversions and transitions.

    PubMed

    Vol'kenshtein, M V

    1976-01-01

    The values of the mean relative probabilities of transversions and transitions have been refined on the basis of the data collected by Jukes and found to be equal to 0.34 and 0.66, respectively. Evolutionary factors increase the probability of transversions to 0.44. The relative probabilities of individual substitutions have been determined, and a detailed classification of the nonsense mutations has been given. Such mutations are especially probable in the UGG (Trp) codon. The highest probability of AG, GA transitions correlates with the lowest mean change in the hydrophobic nature of the amino acids coded.

  10. Epigenetic switches and network transitions

    NASA Astrophysics Data System (ADS)

    Sasai, Masaki

    2012-02-01

    We investigate dynamics of gene networks which are regulated by both the fast binding/unbinding of transcription factors to/from DNA and the slow processes of chromatin structural change or histone modification. This heterogeneous dynamics consisting of different time scales is analyzed by the mean-field approximation and the stochastic simulation to show that the network exhibits multiple metastable states and is characterized by transitions among them. We discuss distribution and fluctuation of states of the core gene network of embryonic stem cells as an example of such heterogeneous dynamics and the simulated transitions are compared with the experimental data on the distribution of stem cell states.

  11. Electronic transitions of yttrium monophosphide

    NASA Astrophysics Data System (ADS)

    Li, Biu Wa; Chan, Man-Chor; Cheung, A. S.-C.

    2015-11-01

    The electronic transition spectrum of the yttrium monophosphide (YP) molecule in the near infrared 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 gas seeded in argon. Eleven vibrational bands were analyzed and six electronic transitions have been identified, namely the [12.17] Ω = 3 - X3Π2, [13.27] Ω = 3 - X3Π2, [13.44] Ω = 3 - X3Π2, [13.46] Ω = 3 - X3Π2 and [13.40] Ω = 2 - X3Π2 transitions and a [13.69] Ω = 3 - a1Δ2 transition. Least squares fits of the measured rotational lines yielded molecular constants for the ground and excited states. The ground state has been determined to be a X3Π2 state and the bond length ro and vibrational separation, ΔG1/2, were determined to be 2.4413 Å and 390.77 cm-1 respectively. A molecular orbital energy level diagram has been used to aid the assignment of the observed electronic states. This work represents the first experimental investigation of the electronic spectrum of the YP molecule.

  12. Sustainability Transitions as new perspective

    NASA Astrophysics Data System (ADS)

    Rotmans, J.

    2012-04-01

    Sustainability transitions are radical transformations towards a sustainable society as a response to a number of persistent problems confronting contemporary modern societies. The most striking example of such a persistent problem is the current economic and financial crisis. This crisis is only a symptom of a deeper-lying systems crisis, which is rooted in the disbalance between overly consuming and producing during the last decennia on the one hand and exhausting our natural resources and materials on the other hand. The perverse effects of this disbalance are not accounted for in the economic order that we have created. This means that the economic order is not sustainable in the long run. Without a fundamental shift, a transition, to a new, sustainable economy, we will revert to old patterns and mechanisms that will automatically generate the next crises. In this transition process we are at a turning point. On the verge of a new era, characterized by a battle of the old paradigm against the new one, with a crucial role for sustainable innovation. Such a transition perspective might help to unravel the unprecedented complexity of the interrelated economic, financial, energy and climate crisis and to shed some light on structural, sustainable solutions.

  13. Career Transitions: The Australian Experience.

    ERIC Educational Resources Information Center

    Stevens, Paul

    This book is designed to aid career counselors in Australia help their clients search for enhanced well-being in their occupations and to help organizations and human resource staff members dealing with employees' career development. The book is organized in four parts. Parts 1 and 2 explore the career transition journey that a typical person…

  14. "Mexico in Transition." Curriculum Units.

    ERIC Educational Resources Information Center

    Oregon Univ., Eugene. Foreign Language Resource Center.

    These curriculum units were developed in a National Endowment for the Humanities 1994 summer seminar "Mexico in Transition." The 23 lessons are written in Spanish. Lessons are entitled: (1) "La Migracion Mexicana Vista a Traves del Cuento 'Paso del Norte' de Juan Rulfo" (Jose Jorge Armendariz); (2) "Los Grupos Indigenas de…

  15. Transition and Transport in Turbomachinery

    DTIC Science & Technology

    2012-06-01

    REPORT TYPE 3. DATES COVERED (From- To) 1 MAR 07- 30 NOV 09 4. TITLE AND SUBTITLE Sa. CONTRACT NUMBER Transition and transport in turbomachinery Sb...light of the re-orientation of AFOSR university pro- grams, I should note that the proposal was funded under Dr. Jeffries’ program on turbomachinery and

  16. Transition state in atomic physics

    NASA Astrophysics Data System (ADS)

    Jaffé, Charles; Farrelly, David; Uzer, T.

    1999-11-01

    The transition state is fundamental to modern theories of reaction dynamics: essentially, the transition state is a structure in phase space that all reactive trajectories must cross. While transition-state theory (TST) has been used mainly in chemical physics, it is possible to apply the theory to considerable advantage in any collision problem that involves some form of reaction. Of special interest are systems in which chaotic scattering or half-scattering occurs such as the ionization of Rydberg atoms in external fields. In this paper the ionization dynamics of a hydrogen atom in crossed electric and magnetic fields are shown to possess a transition state: We compute the periodic orbit dividing surface (PODS) which is found not to be a dividing surface when projected into configuration space. Although the possibility of a PODS occurring in phase space rather than configuration space has been recognized before, to our knowledge this is the first actual example: its origin is traced directly to the presence of velocity-dependent terms in the Hamiltonian. Our findings establish TST as the method of choice for understanding ionization of Rydberg atoms in the presence of velocity-dependent forces. To demonstrate this TST is used to (i) uncover a multiple-scattering mechanism for ionization and (ii) compute ionization rates. In the process we also develop a method of computing surfaces of section that uses periodic orbits to define the surface, and examine the fractal nature of the dynamics.

  17. Supporting Student Veterans in Transition

    ERIC Educational Resources Information Center

    Rumann, Corey B.; Hamrick, Florence A.

    2009-01-01

    The purpose of this chapter is to offer frameworks and considerations for student affairs professionals seeking to serve the transition needs of the current generation of student veterans. The historical intersections of the military and higher education, particularly with respect to the effects of the draft on students and higher education,…

  18. Understanding Student Veterans in Transition

    ERIC Educational Resources Information Center

    Jones, Kevin C.

    2013-01-01

    In this research report the author details a phenomenological study documenting identity development in student veterans making the transition from active military service to higher education. This study took place at a doctoral granting proprietary university with a significant veteran population and consisted of in-depth interviews. This…

  19. Detecting non-transiting exoplanets

    NASA Astrophysics Data System (ADS)

    Placek, Ben; Richards, Zachary; Knuth, Kevin H.

    2013-08-01

    Currently, the most popular way of detecting Extra-solar planets (exoplanets) is via the Transit Method. This method is limited only to planets with orbits such that we observe them transiting their host star. In this work in progress, we propose to identify non-transiting exoplanets in the data currently being collected by the Kepler Space Telescope by detecting orbital phase reflected light variations. Since such variations are due to light from the host star reflected by the planet, we expect this method to work best on closely orbitting large planets. Using the Metropolis-Hastings Monte Carlo and Nested Sampling algorithms, we will determine the presence or absence of nontransiting planets and estimate their orbital parameters such as, orbital inclination, semi-major axis, period, and eccentricity. Our estimates indicate that the development of this technique has the potential to double the number of detectable planets in the Kepler data sets. Here we demonstrate feasibility using portions of data from one of the first transiting planets detected by Kepler, HAT-P-7b.

  20. Leadership Transitions during Fundraising Campaigns

    ERIC Educational Resources Information Center

    Nehls, Kimberly

    2012-01-01

    Capital campaigns are intense efforts to build the financial assets of an institution in a specified amount of time. This study provides an empirical view of how changes in leadership affected concomitant capital campaigns at ten colleges and universities. The transitions during these 10 campaigns influenced morale on campus, altered timing of the…

  1. Presidential Transitions during Capital Campaigns

    ERIC Educational Resources Information Center

    Nehls, Kimberly

    2008-01-01

    In the past few decades, capital campaigns at institutions of higher education have increased in duration, while collegiate presidential tenures have been doing just the opposite. Turnover in the top post was frequent, even during major fundraising campaigns. Before this study, presidential transitions during campaigns had not been previously…

  2. Menopause: A Life Cycle Transition.

    ERIC Educational Resources Information Center

    Evarts, Barbara Kess; Baldwin, Cynthia

    1998-01-01

    Family therapists need to address the issue of menopause proactively to be of benefit to couples and families during this transitional period in the family life cycle. Physical, psychological, and psychosocial factors affecting the menopausal woman and her family, and ways to address these issues in counseling are discussed. (Author/EMK)

  3. Predicting transition to chronic pain

    PubMed Central

    Apkarian, A. Vania; Baliki, Marwan N.; Farmer, Melissa A.

    2016-01-01

    Purpose of review Most individuals who develop pain following an inciting event will return to a healthy state as the injury heals. However, a small percentage continue to suffer, that is, transition to chronic pain. Chronic pain may persist for years and is accompanied by cognitive abnormalities, as well as diminished quality of life. In animals, persistent pain is characterized by peripheral and spinal cord reorganization, and recent evidence in humans also indicates cortical reorganization. Yet, despite more than 30 years of research, there is little agreement on the neural mechanisms that mediate the transition from acute to chronic pain. Recent findings In a longitudinal brain-imaging study, individuals who developed an intense back pain episode were followed over a 1-year period, during which pain and brain parameters were collected repeatedly. A smaller number of healthy individuals and chronic back pain patients were also studied concomitantly, as positive and negative controls. At the time of entry into the study, strength of synchrony between the medial prefrontal cortex and nucleus accumbens (i.e. functional connectivity) was predictive (>80% accuracy) of individuals who subsequently transition to chronicity 1 year later. Summary Properties of the brain’s emotional learning circuitry predict the transition to chronic pain. The involvement of this circuitry in pain remains mostly unexplored. Future human and animal model studies are necessary to unravel underlying mechanisms driving pain chronicity, with the potential of advancing novel therapeutics for preventing pain chronification. PMID:23823463

  4. N-{Delta} weak transition

    SciTech Connect

    Graczyk, Krzysztof M.

    2011-11-23

    A short review of the Rein-Sehgal and isobar models is presented. The attention is focused on the nucleon-{Delta}(1232) weak transition form-factors. The results of the recent re-analyses of the ANL and BNL bubble chamber neutrino-deuteron scattering data are discussed.

  5. The nature of transition blazars

    SciTech Connect

    Ruan, J. J.; Anderson, S. F.; Plotkin, R. M.; Brandt, W. N.; Schneider, D. P.; Burnett, T. H.; Myers, A. D.

    2014-12-10

    Blazars are classically divided into the BL Lacertae (BLL) and flat-spectrum radio quasar (FSRQ) subclasses, corresponding to radiatively inefficient and efficient accretion regimes, respectively, largely based on the equivalent width (EW) of their optical broad emission lines (BELs). However, EW-based classification criteria are not physically motivated, and a few blazars have previously transitioned' from one subclass to the other. We present the first systematic search for these transition blazars in a sample of 602 unique pairs of repeat spectra of 354 blazars in the Sloan Digital Sky Survey, finding six clear cases. These transition blazars have bolometric Eddington ratios of ∼0.3 and low-frequency synchrotron peaks, and are thus FSRQ-like. We show that the strong EW variability (up to an unprecedented factor of >60) is due to swamping of the BELs from variability in jet continuum emission, which is stronger in amplitude and shorter in timescale than typical blazars. Although these transition blazars appear to switch between FSRQ and BLL according to the phenomenologically based EW scheme, we show that they are most likely rare cases of FSRQs with radiatively efficient accretion flows and especially strongly beamed jets. These results have implications for the decrease of the apparent BLL population at high redshifts, and may lend credence to claims of a negative BLL redshift evolution.

  6. Percolation transitions with nonlocal constraint.

    PubMed

    Shim, Pyoung-Seop; Lee, Hyun Keun; Noh, Jae Dong

    2012-09-01

    We investigate percolation transitions in a nonlocal network model numerically. In this model, each node has an exclusive partner and a link is forbidden between two nodes whose r-neighbors share any exclusive pair. The r-neighbor of a node x is defined as a set of at most N(r) neighbors of x, where N is the total number of nodes. The parameter r controls the strength of a nonlocal effect. The system is found to undergo a percolation transition belonging to the mean-field universality class for r<1/2. On the other hand, for r>1/2, the system undergoes a peculiar phase transition from a nonpercolating phase to a quasicritical phase where the largest cluster size G scales as G~N(α) with α=0.74(1). In the marginal case with r=1/2, the model displays a percolation transition that does not belong to the mean-field universality class.

  7. GLOBAL TRANSITION TO SUSTAINABLE DEVELOPMENT

    EPA Science Inventory

    Global transition to sustainable development is possible but many obstacles lie in the way and it will require acts of political will on the part of both the developed and developing nations to become a reality. In this paper, sustainable development is defined as continuous prog...

  8. Transition metal sulfide loaded catalyst

    DOEpatents

    Maroni, V.A.; Iton, L.E.; Pasterczyk, J.W.; Winterer, M.; Krause, T.R.

    1994-04-26

    A zeolite-based catalyst is described for activation and conversion of methane. A zeolite support includes a transition metal (Mo, Cr or W) sulfide disposed within the micropores of the zeolite. The catalyst allows activation and conversion of methane to C[sub 2]+ hydrocarbons in a reducing atmosphere, thereby avoiding formation of oxides of carbon.

  9. Transition metal sulfide loaded catalyst

    DOEpatents

    Maroni, Victor A.; Iton, Lennox E.; Pasterczyk, James W.; Winterer, Markus; Krause, Theodore R.

    1994-01-01

    A zeolite based catalyst for activation and conversion of methane. A zeolite support includes a transition metal (Mo, Cr or W) sulfide disposed within the micropores of the zeolite. The catalyst allows activation and conversion of methane to C.sub.2 + hydrocarbons in a reducing atmosphere, thereby avoiding formation of oxides of carbon.

  10. Preterm Birth: Transition to Adulthood

    ERIC Educational Resources Information Center

    Allen, Marilee C.; Cristofalo, Elizabeth; Kim, Christina

    2010-01-01

    Preterm birth is associated with greater difficulty with transitions from childhood to adolescence to adulthood. Adolescents and young adults born preterm have higher rates of cerebral palsy, intellectual disability, cognitive impairment, learning disability, executive dysfunction, attention deficit disorder, and social-emotional difficulties than…

  11. Miami Bound: Issues in Transition.

    ERIC Educational Resources Information Center

    Parks, Russell E.

    The Outdoor Pursuit Center at Miami University, Ohio, has provided an outdoor orientation experience for incoming first-year students since 1995. The experience provides an environment that is effective in easing the transition into higher education settings. Student trip coordinators, student facilitators, faculty, and professional staff use…

  12. Transiting Exoplanet Survey Satellite (TESS)

    NASA Technical Reports Server (NTRS)

    Ricker, G. R.; Clampin, M.; Latham, D. W.; Seager, S.; Vanderspek, R. K.; Villasenor, J. S.; Winn, J. N.

    2012-01-01

    The Transiting Exoplanet Survey Satellite (TESS) will discover thousands of exoplanets in orbit around the brightest stars in the sky. In a two-year survey, TESS will monitor more than 500,000 stars for temporary drops in brightness caused by planetary transits. This first-ever spaceborne all-sky transit survey will identify planets ranging from Earth-sized to gas giants, around a wide range of stellar types and orbital distances. No ground-based survey can achieve this feat. A large fraction of TESS target stars will be 30-100 times brighter than those observed by Kepler satellite, and therefore TESS . planets will be far easier to characterize with follow-up observations. TESS will make it possible to study the masses, sizes, densities, orbits, and atmospheres of a large cohort of small planets, including a sample of rocky worlds in the habitable zones of their host stars. TESS will provide prime targets for observation with the James Webb Space Telescope (JWST), as well as other large ground-based and space-based telescopes of the future. TESS data will be released with minimal delay (no proprietary period), inviting immediate community-wide efforts to study the new planets. The TESS legacy will be a catalog of the very nearest and brightest main-sequence stars hosting transiting exoplanets, thus providing future observers with the most favorable targets for detailed investigations.

  13. Poland's Transition in Business Education

    ERIC Educational Resources Information Center

    Leven, Bozena

    2010-01-01

    Prior to Poland's transition from central planning to a market system, which began in 1990, schools of business were non-existent in that country. Instead, university level instruction on economics during the socialist period was closely tied to ideological priorities, and limited to imparting skills suitable for planned economy. All universities…

  14. Suicide and Mass Urban Transit.

    ERIC Educational Resources Information Center

    Berman, Alan L., Ed.

    1991-01-01

    Presents case consultation in which consultants respond to issues of urban planning for mass transit (subway) system and how to maximize prevention of intentional injury within subway stations. Also asks what type of research study should be used and what type of data collected once system is operating. Case is discussed by Morton M. Silverman and…

  15. Transition in Pulsatile Pipe Flow

    NASA Astrophysics Data System (ADS)

    Vlachos, Pavlos; Brindise, Melissa

    2016-11-01

    Transition has been observed to occur in the aorta, and stenotic vessels, where pulsatile flow exists. However, few studies have investigated the characteristics and effects of transition in oscillating or pulsatile flow and none have utilized a physiological waveform. In this work, we explore transition in pipe flow using three pulsatile waveforms which all maintain the same mean and maximum flow rates and range to zero flow, as is physiologically typical. Velocity fields were obtained using planar particle image velocimetry for each pulsatile waveform at six mean Reynolds numbers ranging between 500 and 4000. Turbulent statistics including turbulent kinetic energy (TKE) and Reynolds stresses were computed. Quadrant analysis was used to identify characteristics of the production and dissipation of turbulence. Coherent structures were identified using the λci method. We developed a wavelet-Hilbert time-frequency analysis method to identify high frequency structures and compared these to the coherent structures. The results of this study demonstrate that the different pulsatile waveforms induce different levels of TKE and high frequency structures, suggesting that the rates of acceleration and deceleration influence the onset and development of transition.

  16. Leadership Transitions: Keys for Success

    ERIC Educational Resources Information Center

    Goodyear, Marilu; Golden, Cynthia

    2008-01-01

    A leadership transition poses dangers and challenges for both leaders and followers. While each party naturally focuses on the organization's success, time needs to be spent on how the new relationships will develop and mature into effective working relationships. This article discusses the following four areas of interaction between leaders and…

  17. Narratives about Labour Market Transitions

    ERIC Educational Resources Information Center

    Cort, Pia; Thomsen, Rie

    2014-01-01

    In European Union policy, Denmark is often referred to as a model country in terms of its flexicurity model and provision of financial support and access to education and training during periods of unemployment, i.e. during transitional phases in a working life. However, in the research on flexicurity and its implications for labour market…

  18. American Higher Education in Transition

    ERIC Educational Resources Information Center

    Ehrenberg, Ronald G.

    2011-01-01

    American higher education is in transition and if there ever was a "golden age" for faculty, it probably is behind us. The best historical data on the composition of faculty is collected annually by the American Mathematical Society. Between 1967 and 2009, the share of full-time faculty with PhDs remained constant at about 90 percent at…

  19. Electrical Conductivity in Transition Metals

    ERIC Educational Resources Information Center

    Talbot, Christopher; Vickneson, Kishanda

    2013-01-01

    The aim of this "Science Note" is to describe how to test the electron-sea model to determine whether it accurately predicts relative electrical conductivity for first-row transition metals. In the electron-sea model, a metal crystal is viewed as a three-dimensional array of metal cations immersed in a sea of delocalised valence…

  20. 75 FR 70966 - Transit Asset Management (TAM) Pilot Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-19

    ... Federal Transit Administration Transit Asset Management (TAM) Pilot Program AGENCY: Federal Transit... Federal Transit Administration (FTA) is soliciting proposals from public transportation providers, state... partnership--to demonstrate effective Transit Asset Management (TAM) systems and ``best practices'', which...

  1. 76 FR 47296 - Transit Asset Management (TAM) Pilot Program Funds

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-04

    ... Federal Transit Administration Transit Asset Management (TAM) Pilot Program Funds AGENCY: Federal Transit Administration (FTA), DOT. ACTION: Transit Asset Management Pilot Program Announcement of Project Selections. SUMMARY: The U.S. Department of Transportation's (DOT) Federal Transit Administration (FTA) announces...

  2. Comparative Habitability of Transiting Exoplanets

    NASA Astrophysics Data System (ADS)

    Barnes, Rory; Meadows, Victoria S.; Evans, Nicole

    2015-12-01

    Exoplanet habitability is traditionally assessed by comparing a planet’s semimajor axis to the location of its host star’s “habitable zone,” the shell around a star for which Earth-like planets can possess liquid surface water. The Kepler space telescope has discovered numerous planet candidates near the habitable zone, and many more are expected from missions such as K2, TESS, and PLATO. These candidates often require significant follow-up observations for validation, so prioritizing planets for habitability from transit data has become an important aspect of the search for life in the universe. We propose a method to compare transiting planets for their potential to support life based on transit data, stellar properties and previously reported limits on planetary emitted flux. For a planet in radiative equilibrium, the emitted flux increases with eccentricity, but decreases with albedo. As these parameters are often unconstrained, there is an “eccentricity-albedo degeneracy” for the habitability of transiting exoplanets. Our method mitigates this degeneracy, includes a penalty for large-radius planets, uses terrestrial mass-radius relationships, and, when available, constraints on eccentricity to compute a number we call the “habitability index for transiting exoplanets” that represents the relative probability that an exoplanet could support liquid surface water. We calculate it for Kepler objects of interest and find that planets that receive between 60% and 90% of the Earth’s incident radiation, assuming circular orbits, are most likely to be habitable. Finally, we make predictions for the upcoming TESS and James Webb Space Telescope missions.

  3. COMPARATIVE HABITABILITY OF TRANSITING EXOPLANETS

    SciTech Connect

    Barnes, Rory; Meadows, Victoria S.; Evans, Nicole

    2015-12-01

    Exoplanet habitability is traditionally assessed by comparing a planet’s semimajor axis to the location of its host star’s “habitable zone,” the shell around a star for which Earth-like planets can possess liquid surface water. The Kepler space telescope has discovered numerous planet candidates near the habitable zone, and many more are expected from missions such as K2, TESS, and PLATO. These candidates often require significant follow-up observations for validation, so prioritizing planets for habitability from transit data has become an important aspect of the search for life in the universe. We propose a method to compare transiting planets for their potential to support life based on transit data, stellar properties and previously reported limits on planetary emitted flux. For a planet in radiative equilibrium, the emitted flux increases with eccentricity, but decreases with albedo. As these parameters are often unconstrained, there is an “eccentricity-albedo degeneracy” for the habitability of transiting exoplanets. Our method mitigates this degeneracy, includes a penalty for large-radius planets, uses terrestrial mass–radius relationships, and, when available, constraints on eccentricity to compute a number we call the “habitability index for transiting exoplanets” that represents the relative probability that an exoplanet could support liquid surface water. We calculate it for Kepler objects of interest and find that planets that receive between 60% and 90% of the Earth’s incident radiation, assuming circular orbits, are most likely to be habitable. Finally, we make predictions for the upcoming TESS and James Webb Space Telescope missions.

  4. Characteristic length of glass transition

    NASA Astrophysics Data System (ADS)

    Donth, E.

    1996-03-01

    The characteristic length of the glass transition (ξ _α ) is based on the concept of cooperatively rearranging regions (CRR's) by Adam & Gibbs (1965): ξ _α is the diameter of one CRR. In the theoretical part of the talk a formula is derived how this length can be calculated from calorimetric data of the transformation interval. The approach is based on fluctuations in natural functional subsystems. The corresponding thermodynamics is represented e.g. in a book of the author (E. Donth, Relaxation and Thermodynamics in Polymers. Glass Transition, Akademie-Verlag, Berlin 1992). A typical value for this length is 3 nanometers. In the experimental part several examples are reported to enlarge the experimental evidence for such a length: Squeezing the glass transition in the amorphous layers of partially crystallized PET (C. Schick, Rostock), glass transition of small-molecule glass formers in a series of nanoscaled pores of porous glasses (F. Kremer, Leipzig), comparison with a concentration fluctuation model in homogeneous polymer mixtures (E.W. Fischer, Mainz), and, from our laboratory, backscaling to ξ _α across the main transition from the entanglement spacing in several amorphous polymers such as PVAC, PS, NR, and some polymer networks. Rouse backscaling was possible in the α β splitting region of several poly(n alkyl methacrylates) resulting in small characteristic lengths of order 1 nanometer near the onset of α cooperativity. In a speculative outlook a dynamic density pattern is presented, having a cellular structure with higher density and lower mobility of the cell walls. It will be explained, with the aid of different thermal expansion of wall and clusters, how the clusters within the cells maintain a certain mobility far below the glass temperature.

  5. Agile Port System Transition Support Transition Plan Development

    DTIC Science & Technology

    2013-07-29

    the  form  of documented science and technology and combatant commander  needs (expressed in terms of technology gaps and seams) for those selected...CRADA),  Joint Capability Technology Demonstrations (JCTD), as traditional paths for transition, as well as other  forms  for rapid transition, such as...TIP) 3.1.1 Description TIP is a prototype web portal in the  form  of a virtual private network (VPN) hosted by a third  party logistics services

  6. Transition metal-free intramolecular regioselective couplings of aliphatic and aromatic C-H bonds.

    PubMed

    Tian, Hua; Yang, Haijun; Zhu, Changjin; Fu, Hua

    2016-01-29

    Cross-dehydrogenative couplings of two different C-H bonds have emerged as an attractive goal in organic synthesis. However, achieving regioselective C-H activation is a great challenge because C-H bonds are ubiquitous in organic compounds. Actually, the regioselective couplings promoted by enzymes are a common occurrence in nature. Herein, we have developed simple, efficient and general transition metal-free intramolecular couplings of alphatic and aromatic C-H bonds. The protocol uses readily available aryl triazene as the radical initiator, cheap K2S2O8 as the oxidant, and the couplings were performed well with excellent tolerance of functional groups. Interestingly, α-carbon configuration of some amino acid residues in the substrates was kept after the reactions, and the couplings for substrates with substituted phenylalanine residues exhibited complete β-carbon diastereoselectivity for induction of the chiral α-carbon. Therefore, the present study should provide a novel strategy for regioselective cross-dehydrogenative couplings of two different C-H bonds.

  7. Energies, radiative and Auger transitions of the core-excited states for the boron atom

    NASA Astrophysics Data System (ADS)

    Chen, Chao; Sun, Yan; Cong Gou, Bing

    2014-09-01

    Energies, radiative and Auger transitions of the 1s vacancy resonances 1s2s22p2, 1s2s22p3p, 1s2s2p3, 1s2p4, and 1s2p33p, 4L (L=S, P, D) for the neutral boron atom are calculated using the saddle-point variation and saddle-point complex-rotation methods. Large-scale wave functions are used to obtain reliable results. Relativistic and mass polarization corrections are included by the first-order perturbation theory. The calculated term energies, x-ray wavelengths, and Auger electron energies for these core-excited states are compared with available theoretical and experimental results. Auger electron energies and branching ratios are used to identify high-resolution B Auger spectrum produced in 300 keV B+ on CH4 collision experiment. It is found that the Auger decay of core-excited states of the boron atom gives significant contributions to Auger spectrum in the range of 165-210 eV, and many previously unknown line identifications are presented.

  8. Pressure-Induced Phase Transition in KxFe2-yS2

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Yuu; Ikeda, Shugo; Zhang, Xiao-Wei; Kishimoto, Shunji; Kikegawa, Takumi; Hirao, Naohisa; Kawaguchi, Saori I.; Ohishi, Yasuo; Kobayashi, Hisao

    2017-03-01

    The structural and electronic properties of high-quality K0.66(6)Fe1.75(10)S2 single crystals have been investigated by angle-resolved X-ray diffraction and 57Fe nuclear forward scattering using synchrotron radiation under pressure at room temperature. The samples exhibit phase separation into antiferromagnetic ordered K2Fe4S5 and nonmagnetic KxFe2S2 phases. It was found that a pressure-induced phase transition occurs at pc = 5.9(4) GPa with simultaneous suppression of the antiferromagnetic and Fe vacancy orders. From the results of 57Fe nuclear forward scattering, the refined magnetic hyperfine field remains unchanged with pressure below pc, suggesting that the Néel temperature does not decrease with pressure up to pc. Above pc, all Fe atoms in K0.66Fe1.75S2 are in the same nonmagnetic state. A discontinuous increase in the center shift was observed at pc, reflecting a change in the Fe electronic state in K0.66Fe1.75S2.

  9. Electroanalytical studies on Cu (II) ion-selective sensor of coated pyrolytic graphite electrodes based on N2S2O2 and N2S2O3 heterocyclic benzothiazol ligands.

    PubMed

    Singh, A K; Sahani, Manoj Kumar; Bandi, Koteswara Rao; Jain, A K

    2014-08-01

    Benzothiazol based chelating ionophores such as 1,3-bis[2-(1,3-benzothiazol-2-yl)-phenoxy]propane (L1) and 1,2'-bis[2-(1,3-benzothiazol-2-yl)-phenoxy]2-ethoxyethane(L2) were synthesized and explored as neutral ionophores in the fabrication of Cu(2+) ion-selective electrodes. Variety of PVC-based electrodes i.e., polymeric membrane electrodes (PME), coated graphite electrodes (CGE) and coated pyrolytic graphite electrodes (CPGE) were prepared. The membranes having composition L1:PVC:1-CN:NaTPB≡5:38:55:2 (w/w; mg) and L2:PVC:1-CN:NaTPB in the ratio of 6:39:53:2 are found to be exhibit the best potentiometric characteristics. The comparative studies of PME, CGE and CPGE based on L2 reveals that the CPGE is superior in terms of low detection limit of 6.30×10(-9) mol L(-1) with a Nernstian slope of 29.5 mV decade(-1) of activity between pH2.0 to 8.5 with a fast response time of 9s and could be used over a period of 5 months without any significant divergence in its potentiometric characteristics. The sensor has been employed for the estimation of Cu(2+) ion in real samples viz., water, soil and herbal medicinal plants and besides this, the sensor was also used as an indicator electrode in the potentiometric determination of Cu(2+) with EDTA.

  10. Transitions

    NASA Technical Reports Server (NTRS)

    2006-01-01

    26 May 2006 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows a variety of textures observed on a dust-covered plain in the Marte Valles region of Mars. Textural variations across the scene include: areas that are littered with small impact craters, a channel-like feature that is dominated by mounds of a variety of sizes, small ripples and/or ridges, and relatively smooth, unremarkable terrain. The contact between the cratered plain and the area dominated by mounds marks one of the banks along the edge of one of the shallow valleys of the Marte Valles system.

    Location near: 17.7oN, 175.0oW Image width: 3 km (1.9 mi) Illumination from: lower left Season: Northern Spring

  11. Aging transition by random errors

    PubMed Central

    Sun, Zhongkui; Ma, Ning; Xu, Wei

    2017-01-01

    In this paper, the effects of random errors on the oscillating behaviors have been studied theoretically and numerically in a prototypical coupled nonlinear oscillator. Two kinds of noises have been employed respectively to represent the measurement errors accompanied with the parameter specifying the distance from a Hopf bifurcation in the Stuart-Landau model. It has been demonstrated that when the random errors are uniform random noise, the change of the noise intensity can effectively increase the robustness of the system. While the random errors are normal random noise, the increasing of variance can also enhance the robustness of the system under certain conditions that the probability of aging transition occurs reaches a certain threshold. The opposite conclusion is obtained when the probability is less than the threshold. These findings provide an alternative candidate to control the critical value of aging transition in coupled oscillator system, which is composed of the active oscillators and inactive oscillators in practice. PMID:28198430

  12. Transition probabilities in O III

    NASA Astrophysics Data System (ADS)

    Froese Fischer, Charlotte

    1994-01-01

    Transition data has been computed in the MCHF + Breit-Pauli approximation for a number of the low lying triplets in O III. Special attention was given to the 2p3p 3P-2p3d 3P transition which is a primary cascade for the Bowen fluorescence mechanism in O III. The relativistic, largely spin-orbit, effect on the intensity ratio of primary decays was found to be as large as 50%, whereas the effect on secondary cascades was less than 30%. Agreement with astrophysically observed intensity ratios is excellent. There also is good agreement between the present liftimes and the beam-foil mean lifetimes obtained by Pinnington et al., though for 2p3p 3D and 3S the theoretical lifetimes are considerably shorter.

  13. Electronic transitions of palladium dimer

    SciTech Connect

    Qian, Yue; Ng, Y. W.; Chen, Zhihua; Cheung, A. S.-C.

    2013-11-21

    The laser induced fluorescence spectrum of palladium dimer (Pd{sub 2}) in the visible region between 480 and 700 nm has been observed and analyzed. The gas-phase Pd{sub 2} molecule was produced by laser ablation of palladium metal rod. Eleven vibrational bands were observed and assigned to the [17.1] {sup 3}II{sub g} - X{sup 3}Σ{sub u}{sup +} transition system. The bond length (r{sub o}) and vibrational frequency (ΔG{sub 1/2}) of the ground X{sup 3}Σ{sub u}{sup +} state were determined to be 2.47(4) Å and 211.4(5) cm{sup −1}, respectively. A molecular orbital energy level diagram was used to understand the observed ground and excited electronic states. This is the first gas-phase experimental investigation of the electronic transitions of Pd{sub 2}.

  14. Articulated transition duct in turbomachine

    DOEpatents

    Flanagan, James Scott; McMahan, Kevin Weston; LeBegue, Jeffrey Scott; Pentecost, Ronnie Ray

    2014-04-29

    Turbine systems are provided. A turbine system includes a transition duct comprising an inlet, an outlet, and a duct passage extending between the inlet and the outlet and defining a longitudinal axis, a radial axis, and a tangential axis. The outlet of the transition duct is offset from the inlet along the longitudinal axis and the tangential axis. The duct passage includes an upstream portion and a downstream portion. The upstream portion extends from the inlet between an inlet end and an aft end. The downstream portion extends from the outlet between an outlet end and a head end. The turbine system further includes a joint coupling the aft end of the upstream portion and the head end of the downstream portion together. The joint is configured to allow movement of the upstream portion and the downstream portion relative to each other about or along at least one axis.

  15. Electronic Transitions of Yttrium Monoxide

    NASA Astrophysics Data System (ADS)

    Ng, Y. W.; Wang, Na; Clark, Andrew B.; Cheung, A. S.-C.

    2013-06-01

    The electronic transition spectrum of yttrium monoxide (YO) in the spectral region between 284nm and 307nm has been recorded using laser ablation/reaction free-jet expansion and laser induced fluorescence (LIF) spectroscopy. The YO molecule was produced by reacting laser-ablated yttrium atoms with O_{2} seeded in argon. Twenty transition bands were observed in that region and a few bands were selected for further study using optical-optical double resonance (OODR) spectroscopy. The excited C^{2} Π state has been reached via the intermediate B^{2} Σ^{+} state from the ground X^{2} Σ^{+} state. The excited sub-states observed so far have Ω = 0.5 and 1.5. A least squares fit of the measured rotational lines yielded molecular constants for the newly observed excited states.

  16. Venus transits - A French view

    NASA Astrophysics Data System (ADS)

    Débarbat, Suzanne

    2005-04-01

    After a careful study of Mars observations obtained by Tycho Brahé (1546-1601), Kepler (1571-1630) discovered the now-called Kepler's third law. In 1627 he published his famous Tabulae Rudolphinae, a homage to his protector Rudolph II (1552-1612), tables (Kepler 1609, 1627) from which he predicted Mercury and Venus transits over the Sun. In 1629 Kepler published his Admonitio ad Astronomos Advertisement to Astronomers (Kepler 1630), Avertissement aux Astronomes in French Au sujet de phénomènes rares et étonnants de l'an 1631: l'incursion de Vénus et de Mercure sur le Soleil. This was the beginning of the interest of French astronomers, among many others, in such transits, mostly for Venus, the subject of this paper in which dates are given in the Gregorian calendar.

  17. Counting paths with Schur transitions

    NASA Astrophysics Data System (ADS)

    Díaz, Pablo; Kemp, Garreth; Véliz-Osorio, Alvaro

    2016-10-01

    In this work we explore the structure of the branching graph of the unitary group using Schur transitions. We find that these transitions suggest a new combinatorial expression for counting paths in the branching graph. This formula, which is valid for any rank of the unitary group, reproduces known asymptotic results. We proceed to establish the general validity of this expression by a formal proof. The form of this equation strongly hints towards a quantum generalization. Thus, we introduce a notion of quantum relative dimension and subject it to the appropriate consistency tests. This new quantity finds its natural environment in the context of RCFTs and fractional statistics; where the already established notion of quantum dimension has proven to be of great physical importance.

  18. Adolescents Transitioning to High School.

    PubMed

    Williams, Susan G; Langhinrichsen-Rohling, Jennifer; Wornell, Cory; Finnegan, Heather

    2017-01-01

    Adolescents transitioning to high school may be at greater risk of depression and suicide if they are victims of bullying behavior. This study explored sex differences in bullying victimization (physical, verbal/social, and cyberbullying) and the impact on depressive symptoms and suicidal behaviors in ninth-grade students ( N = 233). Females reported significantly more verbal/social and cyberbullying than male students. There were no significant sex differences in physical bullying; male students who reported physical bullying victimization were more likely to experience depressive symptoms. Verbal/social bullying predicted depressive symptoms in males and females. Females who reported being victims of cyberbullying were more likely to report depressive symptoms, suicide ideation, and suicide attempts. Eighteen students reported suicide attempts, and each also experienced verbal/social bullying. School nurses are positioned to reach out to transitioning students, screen for mental health issues, provide a safe place to talk about bullying experiences, and promote positive mental health.

  19. Aging transition by random errors

    NASA Astrophysics Data System (ADS)

    Sun, Zhongkui; Ma, Ning; Xu, Wei

    2017-02-01

    In this paper, the effects of random errors on the oscillating behaviors have been studied theoretically and numerically in a prototypical coupled nonlinear oscillator. Two kinds of noises have been employed respectively to represent the measurement errors accompanied with the parameter specifying the distance from a Hopf bifurcation in the Stuart-Landau model. It has been demonstrated that when the random errors are uniform random noise, the change of the noise intensity can effectively increase the robustness of the system. While the random errors are normal random noise, the increasing of variance can also enhance the robustness of the system under certain conditions that the probability of aging transition occurs reaches a certain threshold. The opposite conclusion is obtained when the probability is less than the threshold. These findings provide an alternative candidate to control the critical value of aging transition in coupled oscillator system, which is composed of the active oscillators and inactive oscillators in practice.

  20. Investigation of EO transition rates

    NASA Astrophysics Data System (ADS)

    Colvin, G. G.; Schreckenbach, K.

    1985-01-01

    Basic ideas on the nature of electric monopole transitions and their experimental realisation are presented. Some feeling for the sensitivity obtainable for X=B(EO)/B(E2) ratios are discussed. Examples of measurements performed using the electron spectrometer BILL are described to demonstrate their relevance in testing nuclei models. These include even-even and odd-even nuclei such as nuclei close to Z=50, rare-earth nuclei, Pt-Os isotopes and the actinides.

  1. Transiting Exoplanet Survey Satellite (TESS)

    NASA Astrophysics Data System (ADS)

    Ricker, George R.; Winn, Joshua N.; Vanderspek, Roland; Latham, David W.; Bakos, Gáspár. Á.; Bean, Jacob L.; Berta-Thompson, Zachory K.; Brown, Timothy M.; Buchhave, Lars; Butler, Nathaniel R.; Butler, R. Paul; Chaplin, William J.; Charbonneau, David; Christensen-Dalsgaard, Jørgen; Clampin, Mark; Deming, Drake; Doty, John; De Lee, Nathan; Dressing, Courtney; Dunham, E. W.; Endl, Michael; Fressin, Francois; Ge, Jian; Henning, Thomas; Holman, Matthew J.; Howard, Andrew W.; Ida, Shigeru; Jenkins, Jon; Jernigan, Garrett; Johnson, John A.; Kaltenegger, Lisa; Kawai, Nobuyuki; Kjeldsen, Hans; Laughlin, Gregory; Levine, Alan M.; Lin, Douglas; Lissauer, Jack J.; MacQueen, Phillip; Marcy, Geoffrey; McCullough, P. R.; Morton, Timothy D.; Narita, Norio; Paegert, Martin; Palle, Enric; Pepe, Francesco; Pepper, Joshua; Quirrenbach, Andreas; Rinehart, S. A.; Sasselov, Dimitar; Sato, Bun'ei; Seager, Sara; Sozzetti, Alessandro; Stassun, Keivan G.; Sullivan, Peter; Szentgyorgyi, Andrew; Torres, Guillermo; Udry, Stephane; Villasenor, Joel

    2014-08-01

    The Transiting Exoplanet Survey Satellite (TESS ) will search for planets transiting bright and nearby stars. TESS has been selected by NASA for launch in 2017 as an Astrophysics Explorer mission. The spacecraft will be placed into a highly elliptical 13.7-day orbit around the Earth. During its two-year mission, TESS will employ four wide-field optical CCD cameras to monitor at least 200,000 main-sequence dwarf stars with IC (approximately less than) 13 for temporary drops in brightness caused by planetary transits. Each star will be observed for an interval ranging from one month to one year, depending mainly on the star's ecliptic latitude. The longest observing intervals will be for stars near the ecliptic poles, which are the optimal locations for follow-up observations with the James Webb Space Telescope. Brightness measurements of preselected target stars will be recorded every 2 min, and full frame images will be recorded every 30 min. TESS stars will be 10-100 times brighter than those surveyed by the pioneering Kepler mission. This will make TESS planets easier to characterize with follow-up observations. TESS is expected to find more than a thousand planets smaller than Neptune, including dozens that are comparable in size to the Earth. Public data releases will occur every four months, inviting immediate community-wide efforts to study the new planets. The TESS legacy will be a catalog of the nearest and brightest stars hosting transiting planets, which will endure as highly favorable targets for detailed investigations.

  2. Transiting Exoplanet Survey Satellite (TESS)

    NASA Astrophysics Data System (ADS)

    Ricker, George R.; Winn, Joshua N.; Vanderspek, Roland; Latham, David W.; Bakos, Gáspár Á.; Bean, Jacob L.; Berta-Thompson, Zachory K.; Brown, Timothy M.; Buchhave, Lars; Butler, Nathaniel R.; Butler, R. Paul; Chaplin, William J.; Charbonneau, David; Christensen-Dalsgaard, Jørgen; Clampin, Mark; Deming, Drake; Doty, John; De Lee, Nathan; Dressing, Courtney; Dunham, Edward W.; Endl, Michael; Fressin, Francois; Ge, Jian; Henning, Thomas; Holman, Matthew J.; Howard, Andrew W.; Ida, Shigeru; Jenkins, Jon M.; Jernigan, Garrett; Johnson, John Asher; Kaltenegger, Lisa; Kawai, Nobuyuki; Kjeldsen, Hans; Laughlin, Gregory; Levine, Alan M.; Lin, Douglas; Lissauer, Jack J.; MacQueen, Phillip; Marcy, Geoffrey; McCullough, Peter R.; Morton, Timothy D.; Narita, Norio; Paegert, Martin; Palle, Enric; Pepe, Francesco; Pepper, Joshua; Quirrenbach, Andreas; Rinehart, Stephen A.; Sasselov, Dimitar; Sato, Bun'ei; Seager, Sara; Sozzetti, Alessandro; Stassun, Keivan G.; Sullivan, Peter; Szentgyorgyi, Andrew; Torres, Guillermo; Udry, Stephane; Villasenor, Joel

    2015-01-01

    The Transiting Exoplanet Survey Satellite (TESS) will search for planets transiting bright and nearby stars. TESS has been selected by NASA for launch in 2017 as an Astrophysics Explorer mission. The spacecraft will be placed into a highly elliptical 13.7-day orbit around the Earth. During its 2-year mission, TESS will employ four wide-field optical charge-coupled device cameras to monitor at least 200,000 main-sequence dwarf stars with IC≈4-13 for temporary drops in brightness caused by planetary transits. Each star will be observed for an interval ranging from 1 month to 1 year, depending mainly on the star's ecliptic latitude. The longest observing intervals will be for stars near the ecliptic poles, which are the optimal locations for follow-up observations with the James Webb Space Telescope. Brightness measurements of preselected target stars will be recorded every 2 min, and full frame images will be recorded every 30 min. TESS stars will be 10 to 100 times brighter than those surveyed by the pioneering Kepler mission. This will make TESS planets easier to characterize with follow-up observations. TESS is expected to find more than a thousand planets smaller than Neptune, including dozens that are comparable in size to the Earth. Public data releases will occur every 4 months, inviting immediate community-wide efforts to study the new planets. The TESS legacy will be a catalog of the nearest and brightest stars hosting transiting planets, which will endure as highly favorable targets for detailed investigations.

  3. Nucleon Resonance Transition Form factors

    SciTech Connect

    Burkert, Volker D.; Mokeev, Viktor I.; Aznauryan, Inna G.

    2016-08-01

    We discuss recent results from CLAS on electromagnetic resonance transition amplitudes and their dependence on the distance scale (Q2). From the comparison of these results with most advanced theoretical calculations within QCD-based approaches there is clear evidence that meson-baryon contributions are present and important at large distances, i.e. small Q2, and that quark core contributions dominate the short distance behavior.

  4. Phase transitions in nuclear matter

    SciTech Connect

    Glendenning, N.K.

    1984-11-01

    The rather general circumstances under which a phase transition in hadronic matter at finite temperature to an abnormal phase in which baryon effective masses become small and in which copious baryon-antibaryon pairs appear is emphasized. A preview is also given of a soliton model of dense matter, in which at a density of about seven times nuclear density, matter ceases to be a color insulator and becomes increasingly color conducting. 22 references.

  5. Measurement of Isotope Shifts, Hyperfine Splittings and Stark Shift for the Ytterbium (6S)2 SINGLET-S(0) to (6S6P) TRIPLET-P(1) Transition Using AN Acousto-Optically Modulated Laser Beam.

    NASA Astrophysics Data System (ADS)

    Li, Jian

    1995-11-01

    Accurate measurements of isotope shifts, hyperfine splittings and Stark shifts are of interest for studying atomic structure. This thesis reports a new method to precisely measure small frequency intervals. This was done using an acousto-optic modulator to frequency shift part of a laser beam. The frequency shifted and unshifted laser beams were then superimposed and excited an atomic beam. The laser frequency was scanned across the transition while fluorescence produced by the radiative decay of the excited state was detected by a photomultiplier. Each transition generated two peaks in the spectrum separated by the acousto-optic modulation frequency, which permitted the frequency to be calibrated. This method was tested by measuring the isotope shifts and hyperfine splittings of the ytterbium rm (6s)^2 ^1S_0to(6s6p) ^3P_1 transition at 555.6 nm. The shifts (MHz) relative to ^{176} Yb are: ^{173}Yb {it F}=7/2,-1432.1+/-1.2; ^{171}Yb {it F}=1/2, -1176.9+/-1.1; ^{174}Yb, 953.8+/-1.0; ^{172}Yb 1953.9+/-1.6; ^{170}Yb 3240.4+/-2.8; ^{173}Yb {it F}=5/2,3265.8+/-2.8; ^ {168}Yb, 4611.9+/-4.4; ^ {171,173}Yb {it F}=3/2,4760.1 +/-3.7 where the negative sign indicates that the transition occurs at a lower frequency than in ^{176}Yb. The magnetic dipole (a) and electric quadrupole (b) hyperfine coupling constants (MHz) of the (6s6p) ^3P_1 state for ^{171,173}Yb were determined to be a_{171}=3959.1 +/-3.0, a_{173}=-1094.44+/-0.84 and b_{173}=-827.89+/-0.85. These results were in agreement with the most accurate data found in the literature that were obtained by measuring frequency shifts using a Fabry Perot etalon whose length was stabilized with a helium neon laser locked to an iodine line. In contrast, our method uses cheaper and simpler apparatus. Next, the Stark shift of the ytterbium rm (6s)^2 ^1S_0to(6s6p) ^3P_1 transition was measured by passing the atomic beam through a uniform electric field. The Stark shift rate was found to be -15.419+/-0.048 kHz/(kV/cm)^2. No

  6. Resolution requirements for numerical simulations of transition

    NASA Technical Reports Server (NTRS)

    Zang, Thomas A.; Krist, Steven E.; Hussaini, M. Yousuff

    1989-01-01

    The resolution requirements for direct numerical simulations of transition to turbulence are investigated. A reliable resolution criterion is determined from the results of several detailed simulations of channel and boundary-layer transition.

  7. Blue Dots Team Transits Working Group Review

    NASA Astrophysics Data System (ADS)

    Sozzetti, A.; Afonso, C.; Alonso, R.; Blank, D. L.; Catala, C.; Deeg, H.; Grenfell, J. L.; Hellier, C.; Latham, D. W.; Minniti, D.; Pont, F.; Rauer, H.

    2010-10-01

    Transiting planet systems offer a unique opportunity to observationally constrain proposed models of the interiors (radius, composition) and atmospheres (chemistry, dynamics) of extrasolar planets. The spectacular successes of ground-based transit surveys (more than 60 transiting systems known to-date) and the host of multi-wavelength, spectro-photometric follow-up studies, carried out in particular by HST and Spitzer, have paved the way to the next generation of transit search projects, which are currently ongoing (CoRoT, Kepler), or planned. The possibility of detecting and characterizing transiting Earth-sized planets in the habitable zone of their parent stars appears tantalizingly close. In this contribution we briefly review the power of the transit technique for characterization of extrasolar planets, summarize the state of the art of both ground-based and space-borne transit search programs, and illustrate how the science of planetary transits fits within the Blue Dots perspective.

  8. Functions and Requirements for the Transition Project

    SciTech Connect

    YANOCHKO, R.M.

    2000-04-24

    This document describes the functional requirement baseline for the Transition of 100 K Area Facilities Project (Transition Project). This baseline information consists of top-level functions, requirements, concept description, interface description, issues, and enabling assumptions.

  9. Fast flux test facility, transition project plan

    SciTech Connect

    Guttenberg, S.

    1994-11-15

    The FFTF Transition Project Plan, Revision 1, provides changes and project baseline for the deactivation activities necessary to transition the FFTF to a radiologically and industrially safe shutdown condition.

  10. Aspects of the electroweak phase transition

    SciTech Connect

    Huet, P.

    1992-11-01

    The electroweak phase transition is reviewed in light of some recent developments. Emphasis is on the issue whether the transition is first or second order and its possible role in the generation of the baryon asymmetry of the universe.

  11. Marital transitions. A child's perspective.

    PubMed

    Hetherington, E M; Stanley-Hagan, M; Anderson, E R

    1989-02-01

    Despite a recent leveling off of the divorce rate, almost half of the children born in the last decade will experience the divorce of their parents, and most of these children will also experience the remarriage of their parents. Most children initially experience their parents' marital rearrangements as stressful; however, children's responses to their parents marital transitions are diverse. Whereas some exhibit remarkable resiliency and in the long term may actually be enhanced by coping with these transitions, others suffer sustained developmental delays or disruptions. Others appear to adapt well in the early stages of family reorganizations but show delayed effects that emerge at a later time, especially in adolescence. The long-term effects are related more to the child's developmental status, sex, and temperament; the qualities of the home and parenting environments; and to the resources and support systems available to the parents and child than they are to divorce or remarriage per se. In recent years, researchers have begun to move away from the view that single-parent and remarried families are atypical or pathogenic families and are focusing on the diversity of children's responses and to the factors that facilitate or disrupt the development and adjustment of children experiencing their parents' marital transitions.

  12. Major transitions in information technology.

    PubMed

    Valverde, Sergi

    2016-08-19

    When looking at the history of technology, we can see that all inventions are not of equal importance. Only a few technologies have the potential to start a new branching series (specifically, by increasing diversity), have a lasting impact in human life and ultimately became turning points. Technological transitions correspond to times and places in the past when a large number of novel artefact forms or behaviours appeared together or in rapid succession. Why does that happen? Is technological change continuous and gradual or does it occur in sudden leaps and bounds? The evolution of information technology (IT) allows for a quantitative and theoretical approach to technological transitions. The value of information systems experiences sudden changes (i) when we learn how to use this technology, (ii) when we accumulate a large amount of information, and (iii) when communities of practice create and exchange free information. The coexistence between gradual improvements and discontinuous technological change is a consequence of the asymmetric relationship between complexity and hardware and software. Using a cultural evolution approach, we suggest that sudden changes in the organization of ITs depend on the high costs of maintaining and transmitting reliable information.This article is part of the themed issue 'The major synthetic evolutionary transitions'.

  13. Radionuclide transit in esophageal varices

    SciTech Connect

    Yeh, S.H.; Wang, S.J.; Wu, L.C.; Liu, R.S.; Tsai, Y.T.; Chiang, T.T.

    1985-05-01

    This study assessed esophageal motility in patients with esophageal varices by radionuclide transit studies. Data were acquired in list mode after an oral dose of 0.5 mCi Tc-99m sulfur colloid in 10 ml of water in the supine position above a low-energy all-purpose collimator of a gamma camera. The condensed image (CI) superimposed with a centroid curve was also produced in each case. Twenty-five normal subjects (N) and 32 patients (pts) with esophageal varices by endoscopy (large varices in Grades IV and V in 8 and small varices in Grade III or less in 24) were studied. TMTT, RTT, RF, and RI were all significantly increased in pts as compared to N. Especially, the transit time for the middle third (6.7 +- 2.6 sec vs 3.5 +- 0.9 sec in N, rho < 0.005) had the optimal sensitivy and specificity of 88% each at the cutoff value of 4.2 sec as determined by ROC analysis. In summary, radionuclide transit disorders occur in the majority of pts with esopageal varices. The middle RTT and CI are both optimal in sensitivity and specificity for detecting the abnormalities.

  14. Financing pharmaceuticals in transition economies.

    PubMed

    Kanavos, P

    1999-06-01

    This paper (a) provides a methodological taxonomy of pricing, financing, reimbursement, and cost containment methodologies for pharmaceuticals; (b) analyzes complex agency relationships and the health versus industrial policy tradeoff; (c) pinpoints financing measures to balance safety and effectiveness of medicines and their affordability by publicly funded systems in transition; and (d) highlights viable options for policy-makers for the financing of pharmaceuticals in transition. Three categories of measures and their implications for pharmaceutical policy cost containing are analyzed: supply-side measures, targeting manufacturers, proxy demand-side measures, targeting physicians and pharmacists, and demand-side measures, targeting patients. In pursuing supply side measures, we explore free pricing for pharmaceuticals, direct price controls, cost-plus and cost pricing, average pricing and international price comparisons, profit control, reference pricing, the introduction of a fourth hurdle, positive and negative lists, and other price control measures. The analysis of proxy-demand measures includes budgets for physicians, generic policies, practice guidelines, monitoring the authorizing behavior of physicians, and disease management schemes. Demand-side measures explore the effectiveness of patient co-payments, the impact of allowing products over-the-counter and health promotion programs. Global policies should operate simultaneously on the supply, the proxy demand, and the demand-side. Policy-making needs to have a continuous long-term planning. The importation of policies into transition economy may require extensive and expensive adaptation, and/or lead to sub-optimal policy outcomes.

  15. Trust Transitivity in Social Networks

    PubMed Central

    Richters, Oliver; Peixoto, Tiago P.

    2011-01-01

    Non-centralized recommendation-based decision making is a central feature of several social and technological processes, such as market dynamics, peer-to-peer file-sharing and the web of trust of digital certification. We investigate the properties of trust propagation on networks, based on a simple metric of trust transitivity. We investigate analytically the percolation properties of trust transitivity in random networks with arbitrary in/out-degree distributions, and compare with numerical realizations. We find that the existence of a non-zero fraction of absolute trust (i.e. entirely confident trust) is a requirement for the viability of global trust propagation in large systems: The average pair-wise trust is marked by a discontinuous transition at a specific fraction of absolute trust, below which it vanishes. Furthermore, we perform an extensive analysis of the Pretty Good Privacy (PGP) web of trust, in view of the concepts introduced. We compare different scenarios of trust distribution: community- and authority-centered. We find that these scenarios lead to sharply different patterns of trust propagation, due to the segregation of authority hubs and densely-connected communities. While the authority-centered scenario is more efficient, and leads to higher average trust values, it favours weakly-connected “fringe” nodes, which are directly trusted by authorities. The community-centered scheme, on the other hand, favours nodes with intermediate in/out-degrees, in detriment of the authorities and its “fringe” peers. PMID:21483683

  16. Transition physics and scaling overview

    SciTech Connect

    Carlstrom, T.N.

    1995-12-01

    This paper presents an overview of recent experimental progress towards understanding H-mode transition physics and scaling. Terminology and techniques for studying H-mode are reviewed and discussed. The model of shear E x B flow stabilization of edge fluctuations at the L-H transition is gaining wide acceptance and is further supported by observations of edge rotation on a number of new devices. Observations of poloidal asymmetries of edge fluctuations and dephasing of density and potential fluctuations after the transition pose interesting challenges for understanding H-mode physics. Dedicated scans to determine the scaling of the power threshold have now been performed on many machines. A dear B{sub t} dependence is universally observed but dependence on the line averaged density is complicated. Other dependencies are also reported. Studies of the effect of neutrals and error fields on the power threshold are under investigation. The ITER threshold database has matured and offers guidance to the power threshold scaling issues relevant to next-step devices.

  17. Transit times in turbulent flows.

    PubMed

    Pécseli, H L; Trulsen, J

    2010-04-01

    Statistics of the motion of passively convected point particles in turbulent flows are studied. The database used is obtained by direct numerical solution of the Navier-Stokes equation. We estimate the probability distribution of the transit times of such particles through reference volumes with given forms and sizes. A selected position within the reference volume is moving with the local flow velocity, thus determining the motion of the entire surface. The transit time is defined as the interval between entrance and exit times of surrounding particles convected through the volume by the turbulent motions. Spherical as well as hemispherical surfaces are studied. Scale sizes in the inertial as well as in the viscous subranges of the turbulence are considered. Simple, and seemingly universal, scaling laws are obtained for the probability density of the transit times in terms of the basic properties of the turbulent flow and the geometry. In the present formulation, the results of the analysis are relevant for chemical reactions, but also for understanding details of the feeding rate of micro-organisms in turbulent waters, for instance.

  18. Search For Planetary Transits in Auriga

    NASA Astrophysics Data System (ADS)

    Mandushev, G. I.; Dunham, E. W.; Latham, D. W.; Everett, M.

    2007-07-01

    We report the results of an extensive, three-year search for planetary transits in a Milky Way field in the constellation of Auriga. More than 60 objects with transit-like events in their light curves were detected. Photometric and spectroscopic follow-up observations were carried out on the most promising transit candidates. Despite the large number of candidates, so far none of them has been found to be a transiting planet.

  19. Microscopic Description of Nuclear Quantum Phase Transitions

    SciTech Connect

    Niksic, T.; Vretenar, D.; Lalazissis, G. A.; Ring, P.

    2007-08-31

    The relativistic mean-field framework, extended to include correlations related to restoration of broken symmetries and to fluctuations of the quadrupole deformation, is applied to a study of shape transitions in Nd isotopes. It is demonstrated that the microscopic self-consistent approach, based on global effective interactions, can describe not only general features of transitions between spherical and deformed nuclei, but also the singular properties of excitation spectra and transition rates at the critical point of quantum shape phase transition.

  20. Planets in Transit V Passages of Discovery

    NASA Astrophysics Data System (ADS)

    Castellano, T. P.

    2003-05-01

    Eclipses of the Sun have long influenced culture, history, and science. The analogous but much more subtle phenomena of a transit of the Sun by Mercury was first predicted by Johannes Kepler. Soon, predictions of transits of Venus inspired bold expeditions to better understand the scale of our solar system. These passages of discovery sometimes succeeded scientifically but always captured the public imagination and played an unexpected role in history. The possibility of detecting planets outside the solar system by the transit method was first outlined by Otto Struve in 1952. Early inquiries usually assumed that extrasolar planetary systems would have a distribution of planetary radii and orbital sizes like the solar system. The detection of transits from the ground in such systems would be daunting. The recent, unexpected discovery of a class of extrasolar planets (by the radial velocity technique) with orbital periods less than a week and masses near to the planet Jupiter has resulted in a resurgence of interest in the transit method. These so called "hot Jupiters", can produce transits that are likely enough, frequent enough, the transit method. These so called "hot Jupiters", can produce transits that are likely enough, frequent enough, and deep enough that ground-based transit searches can be successful. In November 1999, a planet orbiting the star HD 209458 was found to transit, and many measurements of the transit have since been made that challenge formation and evolution theories. Numerous ground based searches for transits are now underway. Several planned high precision space-based missions designed to detect transits of earth-sized planets, also have the potential to detect transits of hundreds of "hot Jupiters". These efforts and the upcoming transit of the Sun by Venus on June 8, 2004 present an opportunity for transits to once again capture the public imagination and perhaps play a role in history.

  1. Current fluctuations at a phase transition

    NASA Astrophysics Data System (ADS)

    Gerschenfeld, A.; Derrida, B.

    2011-10-01

    The ABC model is a simple diffusive one-dimensional non-equilibrium system which exhibits a phase transition. Here we show that the cumulants of the currents of particles through the system become singular near the phase transition. At the transition, they exhibit an anomalous dependence on the system size (an anomalous Fourier's law). An effective theory for the dynamics of the single mode which becomes unstable at the transition allows one to predict this anomalous scaling.

  2. Materials Data on Sr3Sc2Cu2S2O5 (SG:139) 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

  3. Tuning the electrocatalytic hydrogen evolution reaction promoted by [Mo2O2S2]-based molybdenum cycles in aqueous medium.

    PubMed

    Hijazi, Akram; Kemmegne-Mbouguen, Justin Claude; Floquet, Sébastien; Marrot, Jérôme; Fize, Jennifer; Artero, Vincent; David, Olivier; Magnier, Emmanuel; Pégot, Bruce; Cadot, Emmanuel

    2013-04-14

    We report the syntheses and characterizations, in the solid state and in solution, of three new cyclic polyoxothiomolybdates self-assembled around 2,5-dimethylterephthalate (DMT) and 2,5-bis(trifluoromethyl)terephthalate (DFMT) ligands, namely [Mo12DMT](2-), [Mo12DFMT](2-) and [Mo16DFMT](2-). A series of these two Mo12-compounds completed by the two Mo12-compounds obtained with 2,3,5,6-tetramethylterephthalate and trimesate ligands offer the opportunity to compare their electro-catalytic properties for reduction of protons into hydrogen. The ability of these compounds to promote the reduction of protons into hydrogen in aqueous medium is evidenced and the influence of the embedded ligand is highlighted, thus allowing proposal of a mechanism for the hydrogen evolution reaction catalyzed by these clusters.

  4. Materials Data on VH12C2S2(O2F)6 (SG:12) 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 LiY2Ti2S2O5 (SG:71) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-29

    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 CdAs2S2(OF3)4 (SG:43) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-05-16

    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 CuH4C2S2N2Cl (SG:61) 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

  8. Materials Data on K2MoH2S2O9 (SG:15) 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

  9. Materials Data on RbGdH2S2O9 (SG:14) by Materials Project

    DOE Data Explorer

    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 RbC2S2N(OF)4 (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

  11. Materials Data on Y2MgMn2S2O5 (SG:71) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-22

    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 Y2MgMn2S2O5 (SG:119) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-22

    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

  13. Materials Data on RbH6C2S2NO4 (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

  14. Materials Data on GaH20C2S2NO14 (SG:4) 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 GaH20C2S2NO14 (SG:7) 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. Materials Data on Sr3MgCr2S2O5 (SG:119) 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

  17. Materials Data on Sr3MgMn2S2O5 (SG:119) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-30

    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. Materials Data on Sr3Co2Cu2S2O5 (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

  19. Materials Data on Sr3CaCr2S2O5 (SG:119) 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

  20. Materials Data on Sr3MgCo2S2O5 (SG:119) 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

  1. Materials Data on Sr3Cr2Cu2S2O5 (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

  2. Materials Data on Sr3MgFe2S2O5 (SG:119) 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

  3. Materials Data on Sr3CaMn2S2O5 (SG:119) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-30

    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 Sr3Fe2Cu2S2O5 (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

  5. Materials Data on Sr3CaCo2S2O5 (SG:119) 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

  6. Materials Data on Sr3Mn2Cu2S2O5 (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

  7. Materials Data on AlH20C2S2NO14 (SG:7) 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

  8. Materials Data on CdH20C2S2(NO2)6 (SG:2) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-07-29

    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 VH20C2S2N6O13 (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

  10. Relativistic coupled-cluster calculations of transition properties in highly charged inert-gas ions

    NASA Astrophysics Data System (ADS)

    Nandy, D. K.

    2016-11-01

    We have carried out an extensive investigation of various spectroscopic properties of highly charged inert-gas ions using a relativistic coupled-cluster method through a one-electron detachment procedure. In particular, we have calculated the atomic states 2 s22 p53/2 2P, 2 s22 p51/2 2P, and 2 s 2 p61/2 2S in F-like inert-gas ions; 3 s23 p53/2 2P, 3 s23 p51/2 2P, and 3 s 3 p61/2 2S states in Cl-like Kr, Xe, and Rn; and 4 s24 p53/2 2P, 4 s24 p51/2 2P, and 4 s 4 p61/2 2S states in Br-like Xe and Rn. Starting from a single-reference Dirac-Hartree-Fock wave function, we construct our exact atomic states by including the dynamic correlation effects in an all-order perturbative fashion. Employing this method, we estimate the ionization potential energies of three low-lying orbitals present in their respective closed-shell configurations. Since the considered highly charged inert-gas ions exhibit huge relativistic effects, we have taken into account the corrections due to Breit interaction as well as from the dominant quantum electrodynamic correction such as vacuum polarization and self-energy effects in these systems. Using our calculated relativistic atomic wave functions and energies, we accurately determine various transition properties such as wavelengths, line strengths, oscillator strengths, transition probabilities, and lifetimes of the excited states.

  11. 9 CFR 332.12 - Transition grants.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 9 Animals and Animal Products 2 2014-01-01 2014-01-01 false Transition grants. 332.12 Section 332... CARCASSES, MEAT, AND MEAT FOOD PRODUCTS § 332.12 Transition grants. (a) Transition grants are funds that a... grant must use grant funds to reimburse the training costs of one employee per each...

  12. 9 CFR 381.522 - Transition grants.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 9 Animals and Animal Products 2 2014-01-01 2014-01-01 false Transition grants. 381.522 Section 381... Interstate Shipment of Poultry Products § 381.522 Transition grants. (a) Transition grants are funds that a... grant must use grant funds to reimburse the training costs of one employee per each...

  13. Lost in Transition? Student Food Consumption

    ERIC Educational Resources Information Center

    Blichfeldt, Bodil Stilling; Gram, Malene

    2013-01-01

    Findings from transition studies as well as studies of student food show that the transition from living at home to independent living influences student food consumption and that food consumption might be problematic during this period. Furthermore, both students' enactment of being in transition and the food habits and practices they bring with…

  14. 33 CFR 401.89 - Transit refused.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 33 Navigation and Navigable Waters 3 2011-07-01 2011-07-01 false Transit refused. 401.89 Section... TRANSPORTATION SEAWAY REGULATIONS AND RULES Regulations General § 401.89 Transit refused. (a) An officer may refuse to allow a vessel to transit when, (1) The vessel is not equipped in accordance with §§ 401.5...

  15. 33 CFR 401.89 - Transit refused.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 33 Navigation and Navigable Waters 3 2012-07-01 2012-07-01 false Transit refused. 401.89 Section... TRANSPORTATION SEAWAY REGULATIONS AND RULES Regulations General § 401.89 Transit refused. (a) An officer may refuse to allow a vessel to transit when, (1) The vessel is not equipped in accordance with §§ 401.5...

  16. 33 CFR 401.89 - Transit refused.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 33 Navigation and Navigable Waters 3 2014-07-01 2014-07-01 false Transit refused. 401.89 Section... TRANSPORTATION SEAWAY REGULATIONS AND RULES Regulations General § 401.89 Transit refused. (a) An officer may refuse to allow a vessel to transit when, (1) The vessel is not equipped in accordance with §§ 401.5...

  17. 33 CFR 401.89 - Transit refused.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 33 Navigation and Navigable Waters 3 2010-07-01 2010-07-01 false Transit refused. 401.89 Section... TRANSPORTATION SEAWAY REGULATIONS AND RULES Regulations General § 401.89 Transit refused. (a) An officer may refuse to allow a vessel to transit when, (1) The vessel is not equipped in accordance with §§ 401.5...

  18. 33 CFR 401.89 - Transit refused.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 33 Navigation and Navigable Waters 3 2013-07-01 2013-07-01 false Transit refused. 401.89 Section... TRANSPORTATION SEAWAY REGULATIONS AND RULES Regulations General § 401.89 Transit refused. (a) An officer may refuse to allow a vessel to transit when, (1) The vessel is not equipped in accordance with §§ 401.5...

  19. School to Work: Making the Transition.

    ERIC Educational Resources Information Center

    Academy for Educational Development, Washington, DC. National Inst. for Work and Learning.

    This publication describes the Academy for Educational Development's (AED's) vision and work in school-to-work transition and related areas. School-to-work transition is defined, and components of a successful school-to-work transition system are listed. The National Institute for Work and Learning (NIWL) is currently conducting an extensive study…

  20. 9 CFR 332.12 - Transition grants.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 9 Animals and Animal Products 2 2012-01-01 2012-01-01 false Transition grants. 332.12 Section 332... CARCASSES, MEAT, AND MEAT FOOD PRODUCTS § 332.12 Transition grants. (a) Transition grants are funds that a... grant must use grant funds to reimburse the training costs of one employee per each...