241 research outputs found
Biochemical and cytological aspects of in vitro metabolism of parathion by rat liver cell fractions
Impact Ionization in ZnS
The impact ionization rate and its orientation dependence in k space is
calculated for ZnS. The numerical results indicate a strong correlation to the
band structure. The use of a q-dependent screening function for the Coulomb
interaction between conduction and valence electrons is found to be essential.
A simple fit formula is presented for easy calculation of the energy dependent
transition rate.Comment: 9 pages LaTeX file, 3 EPS-figures (use psfig.sty), accepted for
publication in PRB as brief Report (LaTeX source replaces raw-postscript
file
Electronic structure of the electron-doped cuprate superconductors
Within the framework of the kinetic energy driven d-wave superconductivity,
the electronic structure of the electron doped cuprate superconductors is
studied. It is shown that although there is an electron-hole asymmetry in the
phase diagram, the electronic structure of the electron-doped cuprates in the
superconducting-state is similar to that in the hole-doped case. With
increasing the electron doping, the spectral weight in the point
increases, while the position of the superconducting quasiparticle peak is
shifted towards the Fermi energy. In analogy to the hole-doped case, the
superconducting quasiparticles around the point disperse very weakly
with momentum.Comment: 8 pages, 3 figures, accepted for publication in Phys. Lett.
Tight-binding parameters and exchange integrals of Ba_2Cu_3O_4Cl_2
Band structure calculations for Ba_2Cu_3O_4Cl_2 within the local density
approximation (LDA) are presented. The investigated compound is similar to the
antiferromagnetic parent compounds of cuprate superconductors but contains
additional Cu_B atoms in the planes. Within the LDA, metallic behavior is found
with two bands crossing the Fermi surface (FS). These bands are built mainly
from Cu 3d_{x^2-y^2} and O 2p_{x,y} orbitals, and a corresponding tight-binding
(TB) model has been parameterized. All orbitals can be subdivided in two sets
corresponding to the A- and B-subsystems, respectively, the coupling between
which is found to be small. To describe the experimentally observed
antiferromagnetic insulating state, we propose an extended Hubbard model with
the derived TB parameters and local correlation terms characteristic for
cuprates. Using the derived parameter set we calculate the exchange integrals
for the Cu_3O_4 plane. The results are in quite reasonable agreement with the
experimental values for the isostructural compound Sr_2Cu_3O_4Cl_2.Comment: 5 pages (2 tables included), 4 ps-figure
Asymmetry of the electron spectrum in hole-doped and electron-doped cuprates
Within the t-t'-J model, the asymmetry of the electron spectrum and
quasiparticle dispersion in hole-doped and electron-doped cuprates is
discussed. It is shown that the quasiparticle dispersions of both hole-doped
and electron-doped cuprates exhibit the flat band around the (\pi,0) point
below the Fermi energy. The lowest energy states are located at the
(\pi/2,\pi/2) point for the hole doping, while they appear at the (\pi,0) point
in the electron-doped case due to the electron-hole asymmetry. Our results also
show that the unusual behavior of the electron spectrum and quasiparticle
dispersion is intriguingly related to the strong coupling between the electron
quasiparticles and collective magnetic excitations.Comment: 8 pages, 3 figures, typo corrected, added detailed calculations and
updated figure 3 and references, accepted for publication in Phys. Lett.
Gutzwiller-Correlated Wave Functions: Application to Ferromagnetic Nickel
Ferromagnetic Nickel is the most celebrated iron group metal with pronounced
discrepancies between the experimental electronic properties and predictions of
density functional theories. In this work, we show in detail that the recently
developed multi-band Gutzwiller theory provides a very good description of the
quasi-particle band structure of nickel. We obtain the correct exchange
splittings and we reproduce the experimental Fermi-surface topology. The
correct (111)-direction of the magnetic easy axis and the right order of
magnitude of the magnetic anisotropy are found. Our theory also reproduces the
experimentally observed change of the Fermi-surface topology when the magnetic
moment is oriented along the (001)-axis. In addition to the numerical study, we
give an analytical derivation for a much larger class of variational
wave-functions than in previous investigations. In particular, we cover cases
of superconductivity in multi-band lattice systems.Comment: 35 pages, 3 figure
Nrf2 activation supports cell survival during hypoxia and hypoxia/reoxygenation in cardiomyoblasts; the roles of reactive oxygen and nitrogen species
Adaptive mechanisms involving upregulation of cytoprotective genes under the control of transcription factors such as Nrf2 exist to protect cells from permanent damage and dysfunction under stress conditions. Here we explore of the hypothesis that Nrf2 activation by reactive oxygen and nitrogen species modulates cytotoxicity during hypoxia (H) with and without reoxygenation (H/R) in H9C2 cardiomyoblasts. Using MnTBap as a cell permeable superoxide dismutase (SOD) mimetic and peroxynitrite scavenger and L-NAME as an inhibitor of nitric oxide synthase (NOS), we have shown that MnTBap inhibited the cytotoxic effects of hypoxic stress with and without reoxygenation. However, L-NAME only afforded protection during H. Under reoxygenation, conditions, cytotoxicity was increased by the presence of L-NAME. Nrf2 activation was inhibited independently by MnTBap and L-NAME under H and H/R. The increased cytotoxicity and inhibition of Nrf2 activation by the presence of L-NAME during reoxygenation suggests that NOS activity plays an important role in cell survival at least in part via Nrf2-independent pathways. In contrast, O2 -• scavenging by MnTBap prevented both toxicity and Nrf2 activation during H and H/R implying that toxicity is largely dependent on O2 -.To confirm the importance of Nrf2 for myoblast metabolism, Nrf2 knockdown with siRNA reduced cell survival by 50% during 4h hypoxia with and without 2h of reoxygenation and although cellular glutathione (GSH) was depleted during H and H/R, GSH loss was not exacerbated by Nrf2 knockdown. These data support distinctive roles for ROS and RNS during H and H/R for Nrf2 induction which are important for survival independently of GSH salvage. © 2013 The Authors
Ground state of the three-band Hubbard model
The ground state of the two-dimensional three-band Hubbard model in oxide
superconductors is investigated by using the variational Monte Carlo method.
The Gutzwiller-projected BCS and spin- density wave (SDW) functions are
employed in the search for a possible ground state with respect to dependences
on electron density. Antiferromagnetic correlations are considerably enhanced
near half-filling. It is shown that the d-wave state may exist away from
half-filling for both the hole and electron doping cases. The overall structure
of the phase diagram obtained by the calculations qualitatively agrees with
experimental indications. The superconducting condensation energy is in
reasonable agreement with the experimental value obtained from specific heat
and critical magnetic field measurements for optimally doped samples. The
inhomogeneous SDW state is also examined near 1/8-hole doping.Comment: 10 pages, 17 figure
Physiologically based modeling of lisofylline pharmacokinetics following intravenous administration in mice
Lisofylline (LSF), is the R-(−) enantiomer of the metabolite M1 of pentoxifylline, and is currently under development for the treatment of type 1 diabetes. The aim of the study was to develop a physiologically based pharmacokinetic (PBPK) model of LSF in mice and to perform simulations in order to predict LSF concentrations in human serum and tissues following intravenous and oral administration. The concentrations of LSF in serum, brain, liver, kidneys, lungs, muscle, and gut were determined at different time points over 60 min by a chiral HPLC method with UV detection following a single intravenous dose of LSF to male CD-1 mice. A PBPK model was developed to describe serum pharmacokinetics and tissue distribution of LSF using ADAPT II software. All pharmacokinetic profiles were fitted simultaneously to obtain model parameters. The developed model characterized well LSF disposition in mice. The estimated intrinsic hepatic clearance was 5.427 ml/min and hepatic clearance calculated using the well-stirred model was 1.22 ml/min. The renal clearance of LSF was equal to zero. On scaling the model to humans, a good agreement was found between the predicted by the model and presented in literature serum LSF concentration–time profiles following an intravenous dose of 3 mg/kg. The predicted LSF concentrations in human tissues following oral administration were considerably lower despite the twofold higher dose used and may not be sufficient to exert a pharmacological effect. In conclusion, the mouse is a good model to study LSF pharmacokinetics following intravenous administration. The developed PBPK model may be useful to design future preclinical and clinical studies of this compound
Anti-tumor necrosis factor-Α antibody treatment reduces pulmonary inflammation and methacholine hyper-responsiveness in a murine asthma model induced by house dust
Background/Aims Recent studies documented that sensitization and exposure to cockroach allergens significantly increase children's asthma morbidity as well as severity, especially among inner city children. TNF-Α has been postulated to be a critical mediator directly contributing to the bronchopulmonary inflammation and airway hyper-responsiveness in asthma. This study investigated whether an anti-TNF-Α antibody would inhibit pulmonary inflammation and methacholine (Mch) hyper-responsiveness in a mouse model of asthma induced by a house dust extract containing both endotoxin and cockroach allergens. Methods A house dust sample was extracted with phosphate-buffered saline and then used for immunization and two additional pulmonary challenges of BALB/c mice. Mice were treated with an intravenous injection of anti-TNF-Α antibody or control antibody 1  h before each pulmonary challenge. Results In a kinetic study, TNF-Α levels within the bronchoalveolar lavage (BAL) fluid increased quickly peaking at 2 h while BAL levels of IL-4, IL-5, and IL-13 peaked at later time-points. Mch hyper-responsiveness was measured 24 h after the last challenge, and mice were killed 24 h later. TNF inhibition resulted in an augmentation of these Th2 cytokines. However, the allergic pulmonary inflammation was significantly reduced by anti-TNF-Α antibody treatment as demonstrated by a substantial reduction in the number of BAL eosinophils, lymphocytes, macrophages, and neutrophils compared with rat IgG-treated mice. Mch hyper-responsiveness was also significantly reduced in anti-TNF-Α antibody-treated mice and the pulmonary histology was also significantly improved. Inhibition of TNF significantly reduced eotaxin levels within the lung, suggesting a potential mechanism for the beneficial effects. These data indicate that anti-TNF-Α antibody can reduce the inflammation and pathophysiology of asthma in a murine model of asthma induced by a house dust extract.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/73609/1/j.1365-2222.2005.02407.x.pd
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