Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde: Wave-packet dynamics on effective potential surfaces of reduced dimensionality

We report on a simple but widely useful method for obtaining time-independent potential surfaces of reduced dimensionality wherein the coupling between reaction and substrate modes is embedded by averaging over an ensemble of classical trajectories. While these classically averaged potentials with their reduced dimensionality should be useful whenever a separation between reaction and substrate modes is meaningful, their use brings about significant simplification in studies of time-resolved photoelectron spectra in polyatomic systems where full-dimensional studies of skeletal and photoelectron dynamics can be prohibitive. Here we report on the use of these effective potentials in the studies of dump-probe photoelectron spectra of intramolecular proton transfer in chloromalonaldehyde. In these applications the effective potentials should provide a more realistic description of proton-substrate couplings than the sudden or adiabatic approximations commonly employed in studies of proton transfer. The resulting time-dependent photoelectron signals, obtained here assuming a constant value of the photoelectron matrix element for ionization of the wave packet, are seen to track the proton transfer

Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: An ab initio study of time-resolved photoelectron spectra

The authors report on studies of time-resolved photoelectron spectra of intramolecular proton transfer in the ground state of chloromalonaldehyde, employing ab initio photoionization matrix elements and effective potential surfaces of reduced dimensionality, wherein the couplings of proton motion to the other molecular vibrational modes are embedded by averaging over classical trajectories. In the simulations, population is transferred from the vibrational ground state to vibrationally hot wave packets by pumping to an excited electronic state and dumping with a time-delayed pulse. These pump-dump-probe simulations demonstrate that the time-resolved photoelectron spectra track proton transfer in the electronic ground state well and, furthermore, that the geometry dependence of the matrix elements enhances the tracking compared with signals obtained with the Condon approximation. Photoelectron kinetic energy distributions arising from wave packets localized in different basins are also distinguishable and could be understood, as expected, on the basis of the strength of the optical couplings in different regions of the ground state potential surface and the Franck-Condon overlaps of the ground state wave packets with the vibrational eigenstates of the ion potential surface

Detection of highly ionized O and Ne absorption lines in the X-ray spectrum of 4U1820-303 in the globular cluster, NGC 6624

We searched for absorption lines of highly ionized O and Ne in the energy spectra of two Low-mass X-ray binaries, 4U1820-303 in the globular cluster NGC6624 and Cyg X-2, observed with the Chandra LETG, and detected O VII, O VIII and Ne IX absorption lines for 4U1820-303. The equivalent width of the O VII K alpha line was 1.19 +0.47/-0.30 eV (90 % errors) and the significance was 6.5 sigma. Absorption lines were not detected for Cyg X-2 with a 90 % upper limit on the equivalent width of 1.06 eV for O VII K alpha. The absorption lines observed in 4U1820-303 are likely due to hot interstellar medium, because O will be fully photo-ionized if the absorbing column is located close to the binary system. The velocity dispersion is restricted to b = 200 - 420 km/s from consistency between O VII K alpha and K beta lines, Ne/O abundance ratio, and H column density. The average temperature and the O VII density are respectively estimated to be log(T[K]) = 6.2 - 6.3 and n(OVII) = (0.7 - 2.3) x 10^{-6} cm^{-3}. The difference of O VII column densities for the two sources may be connected to the enhancement of the soft X-ray background (SXB) towards the Galactic bulge region. Using the polytrope model of hot gas to account for the SXB we corrected for the density gradient and estimated the midplane O VII density at the solar neighborhood. The scale height of hot gas is then estimated using the AGN absorption lines. It is suggested that a significant portion of both the AGN absorption lines and the high-latitude SXB emission lines can be explained by the hot gas in our Galaxy.Comment: Accepted for publication in ApJ. 7 pages, 9 eps figure

Meson mass and confinement force driven by dilaton

Meson spectra given as fluctuations of a D7 brane are studied under the background driven by the dilaton. This leads to a dual gauge theory with quark confinement due to the gauge condensate. We find that the effect of the gauge condensate on the meson spectrum is essential in order to make a realistic hadron spectrum in the non-supersymmetric case. In the supersymmetric case, however, only the spectra of the scalars are affected, but they are changed in an opposite way compared to the non-supersymmetric case.Comment: 11 pages, 2 figure

Expression of glutathione S-transferase P-form in primary cultured rat liver parenchymal cells by coplanar polychlorinated biphenyl congeners is suppressed by protein kinase inhibitors and dexamethasone

AbstractGlutathione S-transferase P-form (GST-P, EC 2.5.1.18) mRNA was expressed by epidermal growth factor as well as by 3,4,5,3',4'-penta-chlorinated biphenyl (PenCB) in primary cultured rat liver parenchymal cells. The expression of GST-P was suppressed by inhibitors of protein kinase C and dexamethasone, an antagonist of AP-1 transcription factor activity, whereas expression of cytochrome P4501A2 by PenCB was not affected by these reagents. The AP-1 related transcription factor may be essential for the expression of GST-P by PenCB as also may be a protein kinase C type enzyme

Low-energy excitations of the one-dimensional half-filled SU(4) Hubbard model with an attractive on-site interaction: Density-matrix renormalization-group calculations and perturbation theory

We investigate low-energy excitations of the one-dimensional half-filled SU(4) Hubbard model with an attractive on-site interaction U < 0 using the density matrix renormalization group method as well as a perturbation theory. We find that the ground state is a charge density wave state with a long range order. The ground state is completely incompressible since all the excitations are gapful. The charge gap which is the same as the four-particle excitation gap is a non-monotonic function of U, while the spin gap and others increase with increasing |U| and have linear asymptotic behaviors.Comment: 4 pages, 3 figures, submitte