653 research outputs found
Molecular mechanisms underlying anti-tumor promoting activities of heat-processed Panax ginseng C.A. Meyer.
Recently, there have been considerable efforts to search for naturally occurring substances that can inhibit, reverse, or retard the multi-stage carcinogenesis. A wide array of phenolic substances derived from edible and medicinal plants have been reported to possess anticarcinogenic and antimutagenic activities and in many cases, the chemopreventive activities of phytochemicals are associated with their anti-inflammatory and/or antioxidative properties. Panax ginseng C.A. Meyer cultivated in Korea has been widely used in traditional herbal medicine for the treatment of various diseases. Certain fractions or purified ingredients of ginseng have been shown to exert anticarcinogenic and antimutagenic activities. Our previous studies have revealed that the methanol extract of heat-processed Panax ginseng C.A. Meyer attenuates the lipid peroxidation in rat brain homogenates and is also capable of scavenging superoxide generated by xanthine- xanthine oxidase or by 12-O-tetradecanoylphorbol-13-acetate (TPA) in differentiated human promyelocytic leukemia (HL-60) cells. Topical application of the same extract onto shaven backs of female ICR mice also suppressed TPA-induced skin tumor promotion. Likewise, topical application of ginsenoside Rg3, one of the constituents of heat-treated ginseng, significantly inhibited TPA-induced mouse epidermal ornithine decarboxylase activity and skin tumor promotion. Expression of cyclooxygenase-2 (COX-2) in TPA-stimulated mouse skin was markedly suppressed by Rg3 pretreatment. In addition, Rg3 inhibited TPA-stimulated activation of NF-kappaB and extracellular-regulated protein kinase (ERK), one of the mitogen-activated protein (MAP) kinase in mouse skin and also in cultured human breast epithelial cells (MCF-10A)
Dipole-quadrupole interactions and the nature of phase III of compressed hydrogen
A new class of strongly infrared active structures is identified for phase
III of compressed molecular H2 by constant-pressure ab initio molecular
dynamics and density-functional perturbation calculations. These are planar
quadrupolar structures obtained as a distortion of low-pressure quadrupolar
phases, after they become unstable at about 150 GPa due to a zone-boundary soft
phonon. The nature of the II-III transition and the origin of the IR activity
are rationalized by means of simple electrostatics, as the onset of a
stabilizing dipole-quadrupole interaction.Comment: 4 pages, 3 figures. To appear in Phys. Rev. Let
Why is the bandwidth of sodium observed to be narrower in photoemission experiments?
The experimentally predicted narrowing in the bandwidth of sodium is
interpreted in terms of the non-local self-energy effect on quasi-particle
energies of the electron liquid. The calculated self-energy correction is a
monotonically increasing function of the wavenumber variable. The usual
analysis of photo-emission experiments assumes the final state energies on the
nearly-free-electron-like model and hence it incorrectly ascribes the non-local
self-energy correction to the final state energies to the occupied state
energies, thus leading to a seeming narrowing in the bandwidth.Comment: 9 page
Structural Phase Transition at High Temperatures in Solid Molecular Hydrogen and Deuterium
We study the effect of temperature up to 1000K on the structure of dense
molecular para-hydrogen and ortho-deuterium, using the path-integral Monte
Carlo method. We find a structural phase transition from orientationally
disordered hexagonal close packed (hcp) to an orthorhombic structure of Cmca
symmetry before melting. The transition is basically induced by thermal
fluctuations, but quantum fluctuations of protons (deuterons) are important in
determining the transition temperature through effectively hardening the
intermolecular interaction. We estimate the phase line between hcp and Cmca
phases as well as the melting line of the Cmca solid.Comment: 8 pages, 7 figures; accepted in Phys. Rev.
Solid molecular hydrogen: The Broken Symmetry Phase
By performing constant-pressure variable-cell ab initio molecular dynamics
simulations we find a quadrupolar orthorhombic structure, of symmetry,
for the broken symmetry phase (phase II) of solid H2 at T=0 and P =110 - 150
GPa. We present results for the equation of state, lattice parameters and
vibronic frequencies, in very good agreement with experimental observations.
Anharmonic quantum corrections to the vibrational frequencies are estimated
using available data on H2 and D2. We assign the observed modes to specific
symmetry representations.Comment: 5 pages (twocolumn), 4 Postscript figures. To appear in Phys. Rev.
Let
Application of Hansch’s Model to Capsaicinoids and Capsinoids: A Study Using the Quantitative Structure−Activity Relationship. A Novel Method for the Synthesis of Capsinoids
We describe a synthetic approach for two families of compounds, the capsaicinoids and capsinoids,
as part of a study of the quantitative relationship between structure and activity
Spectra and total energies from self-consistent many-body perturbation theory
With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GW Gamma scheme that includes a nontrivial vertex function and the fundamentally distinct Bethe-Goldstone approach based on the T matrix. The self-consistent Green's function G, as derived from Dyson's equation, is used not only in the self-energy but also to construct the screened interaction W for a model system. For all approximations we observe a similar deterioration of the spectrum, which is not removed by vertex corrections. In particular, satellite peaks are systematically broadened and move closer to the chemical potential. The corresponding total energies are universally raised, independent of the system parameters. Our results, therefore, suggest that any improvement in total energy due to self-consistency, such as for the electron gas in the GW approximation, may be fortuitous. [S0163-1829 (98)05040-1]
BAs and boride III-V alloys
Boron arsenide, the typically-ignored member of the III-V arsenide series
BAs-AlAs-GaAs-InAs is found to resemble silicon electronically: its Gamma
conduction band minimum is p-like (Gamma_15), not s-like (Gamma_1c), it has an
X_1c-like indirect band gap, and its bond charge is distributed almost equally
on the two atoms in the unit cell, exhibiting nearly perfect covalency. The
reasons for these are tracked down to the anomalously low atomic p orbital
energy in the boron and to the unusually strong s-s repulsion in BAs relative
to most other III-V compounds. We find unexpected valence band offsets of BAs
with respect to GaAs and AlAs. The valence band maximum (VBM) of BAs is
significantly higher than that of AlAs, despite the much smaller bond length of
BAs, and the VBM of GaAs is only slightly higher than in BAs. These effects
result from the unusually strong mixing of the cation and anion states at the
VBM. For the BAs-GaAs alloys, we find (i) a relatively small (~3.5 eV) and
composition-independent band gap bowing. This means that while addition of
small amounts of nitrogen to GaAs lowers the gap, addition of small amounts of
boron to GaAs raises the gap (ii) boron ``semi-localized'' states in the
conduction band (similar to those in GaN-GaAs alloys), and (iii) bulk mixing
enthalpies which are smaller than in GaN-GaAs alloys. The unique features of
boride III-V alloys offer new opportunities in band gap engineering.Comment: 18 pages, 14 figures, 6 tables, 61 references. Accepted for
publication in Phys. Rev. B. Scheduled to appear Oct. 15 200
Memory Phenotype CD4 T Cells Undergoing Rapid, Nonburst-Like, Cytokine-Driven Proliferation Can Be Distinguished from Antigen-Experienced Memory Cells
Contrary to the current paradigm that nearly all memory T cells proliferate in response to antigenic stimulation, this paper shows that an important population of CD4 T lymphocytes achieves memory/effector status independent of antigenic stimulation
Molecular Dynamics Simulations of Temperature Equilibration in Dense Hydrogen
The temperature equilibration rate in dense hydrogen (for both T_{i}>T_{e}
and T_i<T_e) has been calculated with molecular dynamics simulations for
temperatures between 10 and 600 eV and densities between 10^{20}/cc to
10^{24}/cc. Careful attention has been devoted to convergence of the
simulations, including the role of semiclassical potentials. We find that for
Coulomb logarithms L>1, a model by Gericke-Murillo-Schlanges (GMS) [Gericke et
al., PRE 65, 036418 (2002)] based on a T-matrix method and the approach by
Brown-Preston-Singleton [Brown et al., Phys. Rep. 410, 237 (2005)] agrees with
the simulation data to within the error bars of the simulation. For smaller
Coulomb logarithms, the GMS model is consistent with the simulation results.
Landau-Spitzer models are consistent with the simulation data for L>4
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