137 research outputs found
Semi-Empirical Model for Nano-Scale Device Simulations
We present a new semi-empirical model for calculating electron transport in
atomic-scale devices. The model is an extension of the Extended H\"uckel method
with a self-consistent Hartree potential. This potential models the effect of
an external bias and corresponding charge re-arrangements in the device. It is
also possible to include the effect of external gate potentials and continuum
dielectric regions in the device. The model is used to study the electron
transport through an organic molecule between gold surfaces, and it is
demonstrated that the results are in closer agreement with experiments than ab
initio approaches provide. In another example, we study the transition from
tunneling to thermionic emission in a transistor structure based on graphene
nanoribbons.Comment: 8 pages, 8 figures. Submitted to PR
An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics
FabF (3-oxoacyl-[acyl-carrier-protein] synthase 2), which catalyses the rate limiting condensation reaction in the fatty acid synthesis II pathway, is an attractive target for new antibiotics. Here, we focus on FabF from P. aeruginosa (PaFabF) as antibiotics against this pathogen are urgently needed. To facilitate exploration of this target we have set up an experimental toolbox consisting of binding assays using bio-layer interferometry (BLI) as well as saturation transfer difference (STD) and WaterLOGSY NMR in addition to robust conditions for structure determination. The suitability of the toolbox to support structure-based design of FabF inhibitors was demonstrated through the validation of hits obtained from virtual screening. Screening a library of almost 5 million compounds resulted in 6 compounds for which binding into the malonyl-binding site of FabF was shown. For one of the hits, the crystal structure in complex with PaFabF was determined. Based on the obtained binding mode, analogues were designed and synthesised, but affinity could not be improved. This work has laid the foundation for structure-based exploration of PaFabF.publishedVersio
Study of Tau-pair Production in Photon-Photon Collisions at LEP and Limits on the Anomalous Electromagnetic Moments of the Tau Lepton
Tau-pair production in the process e+e- -> e+e-tau+tau- was studied using
data collected by the DELPHI experiment at LEP2 during the years 1997 - 2000.
The corresponding integrated luminosity is 650 pb^{-1}. The values of the
cross-section obtained are found to be in agreement with QED predictions.
Limits on the anomalous magnetic and electric dipole moments of the tau lepton
are deduced.Comment: 20 pages, 9 figures, Accepted by Eur. Phys. J.
Energy dependence of Cronin momentum in saturation model for and collisions
We calculate dependence of Cronin momentum for and
collisions in saturation model. We show that this dependence is consistent with
expectation from formula which was obtained using simple dimentional
consideration. This can be used to test validity of saturation model (and
distinguish among its variants) and measure dependence of saturation
momentum from experimental data.Comment: LaTeX2e, 12 pages, 8 figure
CP asymmetry in in a general two-Higgs-doublet model with fourth-generation quarks
We discuss the time-dependent CP asymmetry of decay in an
extension of the Standard Model with both two Higgs doublets and additional
fourth-generation quarks. We show that although the Standard Model with
two-Higgs-doublet and the Standard model with fourth generation quarks alone
are not likely to largely change the effective from the decay of
, the model with both additional Higgs doublet and
fourth-generation quarks can easily account for the possible large negative
value of without conflicting with other experimental
constraints. In this model, additional large CP violating effects may arise
from the flavor changing Yukawa interactions between neutral Higgs bosons and
the heavy fourth generation down type quark, which can modify the QCD penguin
contributions. With the constraints obtained from processes
such as and , this model can lead to the
effective to be as large as in the CP asymmetry of .Comment: 13 pages, 5 figures, references added, to appear in Eur.Phys.J.
A Precise Measurement of the Tau Lifetime
The tau lepton lifetime has been measured with the e+e- -> tau+tau- events
collected by the DELPHI detector at LEP in the years 1991-1995. Three different
methods have been exploited, using both one-prong and three-prong tau decay
channels. Two measurements have been made using events in which both taus decay
to a single charged particle. Combining these measurements gave tau_tau (1
prong) = 291.8 +/- 2.3 (stat) +/- 1.5 (sys) fs. A third measurement using taus
which decayed to three charged particles yielded tau_tau (3 prong) = 288.6 +/-
2.4 (stat) +/- 1.3 (sys) fs. These were combined with previous DELPHI results
to measure the tau lifetime, using the full LEP1 data sample, to be tau_tau =
290.9 +/- 1.4 (stat) +/- 1.0 (sys) fs.Comment: 27 pages, 7 figure
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