579 research outputs found
Progress in Time-Dependent Density-Functional Theory
The classic density-functional theory (DFT) formalism introduced by
Hohenberg, Kohn, and Sham in the mid-1960s, is based upon the idea that the
complicated N-electron wavefunction can be replaced with the mathematically
simpler 1-electron charge density in electronic struc- ture calculations of the
ground stationary state. As such, ordinary DFT is neither able to treat
time-dependent (TD) problems nor describe excited electronic states. In 1984,
Runge and Gross proved a theorem making TD-DFT formally exact. Information
about electronic excited states may be obtained from this theory through the
linear response (LR) theory formalism. Begin- ning in the mid-1990s, LR-TD-DFT
became increasingly popular for calculating absorption and other spectra of
medium- and large-sized molecules. Its ease of use and relatively good accuracy
has now brought LR-TD-DFT to the forefront for this type of application. As the
number and the diversity of applications of TD-DFT has grown, so too has grown
our understanding of the strengths and weaknesses of the approximate
functionals commonly used for TD-DFT. The objective of this article is to
continue where a previous review of TD-DFT in this series [Annu. Rev. Phys.
Chem. 55: 427 (2004)] left off and highlight some of the problems and solutions
from the point of view of applied physical chemistry. Since doubly-excited
states have a particularly important role to play in bond dissociation and
formation in both thermal and photochemistry, particular emphasis will be
placed upon the problem of going beyond or around the TD-DFT adiabatic
approximation which limits TD-DFT calculations to nominally singly-excited
states. Posted with permission from the Annual Review of Physical Chemistry,
Volume 63 \c{opyright} 2012 by Annual Reviews, http://www.annualreviews.org
Effect of Enalapril on erythropoiesis recovery in murine anemia
La presencia de receptores de Angiotensina en células eritropoyéticas y estromales medulares muestra claramenteun mecanismo de regulación de la eritropoyesis mediado por el Sistema Renina-Angiotensina. El objetivo fueestudiar los efectos de Inhibidores de la Enzima Convertidora de Angiotensina (IECA) como Enalapril (E) sobrela respuesta eritropoyética en ratones anémicos tratados con Fenilhidrazina (FHZ), a través de estudios hematológicose histológicos. Tanto los ratones tratados con FHZ como los tratados con E y FHZ mostraron hemólisis eldía 14. Sin embargo, la recuperación del estado anémico fue el día 16 en ratones tratados con FHZ y el día 20 enratones tratados con E y FHZ. Se observó actividad eritropoyética en el bazo (día 16) y en el riñón (día 20) deratones tratados con E y FHZ. En ratones tratados con FHZ, se observó actividad eritropoyética en bazo y riñónel día 16. Concluimos que la inhibición de la ECA con Enalapril retarda la recuperación eritropoyética en ratonestratados con E y FHZ. La actividad eritropoyética en el bazo y riñón sugiere la participación de estos órganos enla recuperación del eritrón.The presence of Angiotensin receptors in erythropoietic bone marrow and marrow stromal cells clearly shows a mechanism forRennin-Angiotensin System-mediated regulation of erythropoiesis. The aim was to study the effects of Angiotensin-ConvertingEnzyme inhibition (ACEI) as Enalapril(E) on erythropoietic response in anemic mice treated with Phenylhydrazine (PHZ) bymeans of hematological and histological studies. Both PHZ and E-PHZ-treated mice showed hemolysis on day 14. Howeverthe restoration of anemic state occurred on day 16 in PHZ-treated mice and on day 20 in E-PHZ-treated mice. Erythropoieticactivity was observed in spleen (day16) and kidney (day20) of E-PHZ-treated mice. In PHZ-treated mice erythropoietic activitywas seen in spleen and kidney on day 16. We conclude that Inhibition of ACE with Enalapril delays the erythropoietic recoveryof hemolytic anemia in E-PHZ-treated mice. Erythropoietic activity in spleen and kidney suggest an involvement of theseorgans in the erythron recovery
Pharmacokinetics and pharmacodynamics of fosmidomycin monotherapy and combination therapy with clindamycin in the treatment of multidrug resistant falciparum malaria
Cellular Radiosensitivity: How much better do we understand it?
Purpose: Ionizing radiation exposure gives rise to a variety of lesions in DNA that result in genetic instability and potentially tumorigenesis or cell death. Radiation extends its effects on DNA by direct interaction or by radiolysis of H2O that generates free radicals or aqueous electrons capable of interacting with and causing indirect damage to DNA. While the various lesions arising in DNA after radiation exposure can contribute to the mutagenising effects of this agent, the potentially most damaging lesion is the DNA double strand break (DSB) that contributes to genome instability and/or cell death. Thus in many cases failure to recognise and/or repair this lesion determines the radiosensitivity status of the cell. DNA repair mechanisms including homologous recombination (HR) and non-homologous end-joining (NHEJ) have evolved to protect cells against DNA DSB. Mutations in proteins that constitute these repair pathways are characterised by radiosensitivity and genome instability. Defects in a number of these proteins also give rise to genetic disorders that feature not only genetic instability but also immunodeficiency, cancer predisposition, neurodegeneration and other pathologies.
Conclusions: In the past fifty years our understanding of the cellular response to radiation damage has advanced enormously with insight being gained from a wide range of approaches extending from more basic early studies to the sophisticated approaches used today. In this review we discuss our current understanding of the impact of radiation on the cell and the organism gained from the array of past and present studies and attempt to provide an explanation for what it is that determines the response to radiation
Diffractive Dijet Production at sqrt(s)=630 and 1800 GeV at the Fermilab Tevatron
We report a measurement of the diffractive structure function of
the antiproton obtained from a study of dijet events produced in association
with a leading antiproton in collisions at GeV at the
Fermilab Tevatron. The ratio of at GeV to
obtained from a similar measurement at GeV is compared with
expectations from QCD factorization and with theoretical predictions. We also
report a measurement of the (-Pomeron) and ( of parton in
Pomeron) dependence of at GeV. In the region
, GeV and , is
found to be of the form , which obeys
- factorization.Comment: LaTeX, 9 pages, Submitted to Phys. Rev. Letter
Revisiting the origin of satellites in core-level photoemission of transparent conducting oxides: The case of &ITn&IT-doped SnO2
The longstanding problem of interpretation of satellite structures in core-level photoemission spectra of metallic
systems with a low density of conduction electrons is addressed using the specific example of Sb-doped SnO2.
Comparison of ab initio many-body calculations with experimental hard x-ray photoemission spectra of the Sn
4d states shows that strong satellites are produced by coupling of the Sn core hole to the plasma oscillations of the
free electrons introduced by doping. Within the same theoretical framework, spectral changes of the valence band
spectra are also related to dynamical screening effects. These results demonstrate that, for the interpretation of
electron correlation features in the core-level photoelectron spectra of such narrow-band materials, going beyond
the homogeneous electron gas electron-plasmon coupling model is essential
A Study of B0 -> J/psi K(*)0 pi+ pi- Decays with the Collider Detector at Fermilab
We report a study of the decays B0 -> J/psi K(*)0 pi+ pi-, which involve the
creation of a u u-bar or d d-bar quark pair in addition to a b-bar -> c-bar(c
s-bar) decay. The data sample consists of 110 1/pb of p p-bar collisions at
sqrt{s} = 1.8 TeV collected by the CDF detector at the Fermilab Tevatron
collider during 1992-1995. We measure the branching ratios to be BR(B0 -> J/psi
K*0 pi+ pi-) = (8.0 +- 2.2 +- 1.5) * 10^{-4} and BR(B0 -> J/psi K0 pi+ pi-) =
(1.1 +- 0.4 +- 0.2) * 10^{-3}. Contributions to these decays are seen from
psi(2S) K(*)0, J/psi K0 rho0, J/psi K*+ pi-, and J/psi K1(1270)
Measurement of the inclusive and dijet cross-sections of b-jets in pp collisions at sqrt(s) = 7 TeV with the ATLAS detector
The inclusive and dijet production cross-sections have been measured for jets
containing b-hadrons (b-jets) in proton-proton collisions at a centre-of-mass
energy of sqrt(s) = 7 TeV, using the ATLAS detector at the LHC. The
measurements use data corresponding to an integrated luminosity of 34 pb^-1.
The b-jets are identified using either a lifetime-based method, where secondary
decay vertices of b-hadrons in jets are reconstructed using information from
the tracking detectors, or a muon-based method where the presence of a muon is
used to identify semileptonic decays of b-hadrons inside jets. The inclusive
b-jet cross-section is measured as a function of transverse momentum in the
range 20 < pT < 400 GeV and rapidity in the range |y| < 2.1. The bbbar-dijet
cross-section is measured as a function of the dijet invariant mass in the
range 110 < m_jj < 760 GeV, the azimuthal angle difference between the two jets
and the angular variable chi in two dijet mass regions. The results are
compared with next-to-leading-order QCD predictions. Good agreement is observed
between the measured cross-sections and the predictions obtained using POWHEG +
Pythia. MC@NLO + Herwig shows good agreement with the measured bbbar-dijet
cross-section. However, it does not reproduce the measured inclusive
cross-section well, particularly for central b-jets with large transverse
momenta.Comment: 10 pages plus author list (21 pages total), 8 figures, 1 table, final
version published in European Physical Journal
Search for direct pair production of the top squark in all-hadronic final states in proton-proton collisions at s√=8 TeV with the ATLAS detector
The results of a search for direct pair production of the scalar partner to the top quark using an integrated luminosity of 20.1fb−1 of proton–proton collision data at √s = 8 TeV recorded with the ATLAS detector at the LHC are reported. The top squark is assumed to decay via t˜→tχ˜01 or t˜→ bχ˜±1 →bW(∗)χ˜01 , where χ˜01 (χ˜±1 ) denotes the lightest neutralino (chargino) in supersymmetric models. The search targets a fully-hadronic final state in events with four or more jets and large missing transverse momentum. No significant excess over the Standard Model background prediction is observed, and exclusion limits are reported in terms of the top squark and neutralino masses and as a function of the branching fraction of t˜ → tχ˜01 . For a branching fraction of 100%, top squark masses in the range 270–645 GeV are excluded for χ˜01 masses below 30 GeV. For a branching fraction of 50% to either t˜ → tχ˜01 or t˜ → bχ˜±1 , and assuming the χ˜±1 mass to be twice the χ˜01 mass, top squark masses in the range 250–550 GeV are excluded for χ˜01 masses below 60 GeV
Search for pair-produced long-lived neutral particles decaying to jets in the ATLAS hadronic calorimeter in ppcollisions at √s=8TeV
The ATLAS detector at the Large Hadron Collider at CERN is used to search for the decay of a scalar boson to a pair of long-lived particles, neutral under the Standard Model gauge group, in 20.3fb−1of data collected in proton–proton collisions at √s=8TeV. This search is sensitive to long-lived particles that decay to Standard Model particles producing jets at the outer edge of the ATLAS electromagnetic calorimeter or inside the hadronic calorimeter. No significant excess of events is observed. Limits are reported on the product of the scalar boson production cross section times branching ratio into long-lived neutral particles as a function of the proper lifetime of the particles. Limits are reported for boson masses from 100 GeVto 900 GeV, and a long-lived neutral particle mass from 10 GeVto 150 GeV
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