9,340 research outputs found
Mapping energy transport networks in proteins
The response of proteins to chemical reactions or impulsive excitation that
occurs within the molecule has fascinated chemists for decades. In recent years
ultrafast X-ray studies have provided ever more detailed information about the
evolution of protein structural change following ligand photolysis, and
time-resolved IR and Raman techniques, e.g., have provided detailed pictures of
the nature and rate of energy transport in peptides and proteins, including
recent advances in identifying transport through individual amino acids of
several heme proteins. Computational tools to locate energy transport pathways
in proteins have also been advancing. Energy transport pathways in proteins
have since some time been identified by molecular dynamics (MD) simulations,
and more recent efforts have focused on the development of coarse graining
approaches, some of which have exploited analogies to thermal transport in
other molecular materials. With the identification of pathways in proteins and
protein complexes, network analysis has been applied to locate residues that
control protein dynamics and possibly allostery, where chemical reactions at
one binding site mediate reactions at distance sites of the protein. In this
chapter we review approaches for locating computationally energy transport
networks in proteins. We present background into energy and thermal transport
in condensed phase and macromolecules that underlies the approaches we discuss
before turning to a description of the approaches themselves. We also
illustrate the application of the computational methods for locating energy
transport networks and simulating energy dynamics in proteins with several
examples
Reduced Density Matrix Approach to Phononic Dissipation in Friction
Understanding mechanisms for energy dissipation from nanoparticles in contact
with large samples is a central problem in describing friction microscopically.
Calculation of the reduced density matrix appears to be the most suitable metho
to study such systems that are coupled to a large environment. In this paper
the time evolution of the reduced density matrix has been evaluated for an
arbitrary system coupled to a heat reservoir. The formalism is then applied to
study the vibrational relaxation following the stick-slip motion of a small
adsorbate on a surface. The frequency dependence of the relaxation time is also
determined.Comment: 16 pages, 3 figures (included), revte
A Global Treatment Of VMD Physics Up To The : I. Annihilations, Anomalies And Vector Meson Partial Widths
The HLS Model, equipped with a mechanism providing the breaking of U(3)/SU(3)
symmetry and an isospin symmetry breaking leading naturally to vector meson
mixing, has been recently shown to successfully account for e^+ e^- \ra
\pi^+\pi^- cross section and for the dipion spectrum in decay. The
present study shows that the full anomalous sector of the HLS model can be
considered and is validated by the experimental data. Indeed, this extended
model provides a successful simultaneous fit to the e^+ e^- \ra \pi^+\pi^-
data together with the available data on e^+ e^- \ra \pi^0\gamma, e^+ e^-
\ra \eta\gamma and e^+ e^- \ra \pi^0 \pi^+\pi^- cross sections. It is shown
that the fit of these data sets also predicts an accurate description of the
\eta/\eta^\prime \ra \pi^+ \pi^- \gamma decays fully consistent with the
reported information on their branching fractions and spectra. Finally, one
also derives from our global fits products of widths of the form \Gamma (V \ra
f_1)\Gamma(V \ra e^+ e^-) and ratios of the form \Gamma (V \ra f_1)/\Gamma
(V \ra f_2) describing decays of vector mesons to several non--leptonic final
states.Comment: 58 pages, 10 figures Corrected a few misprints. Footnote 10 change
Mars surface transportation options
As the number of scientific experiments for the surface of Mars grows, the need for effective surface transportation becomes critical. Because of the diversity of the experiments proposed, as well as the desire to explore Mars from the equator to the poles, the optimum surface vehicle configuration is not obvious. Five candidate vehicles are described, with an estimate of their size and performance. In order to maximize the success of a manned Mars mission, it appears that two vehicles should be designed for surface transportation: an advanced long-range rover, and a remotely-piloted airplane
A Global Treatment Of VMD Physics Up To The : I. Annihilations, Anomalies And Vector Meson Partial Widths
The HLS Model, equipped with a mechanism providing the breaking of U(3)/SU(3)
symmetry and an isospin symmetry breaking leading naturally to vector meson
mixing, has been recently shown to successfully account for e^+ e^- \ra
\pi^+\pi^- cross section and for the dipion spectrum in decay. The
present study shows that the full anomalous sector of the HLS model can be
considered and is validated by the experimental data. Indeed, this extended
model provides a successful simultaneous fit to the e^+ e^- \ra \pi^+\pi^-
data together with the available data on e^+ e^- \ra \pi^0\gamma, e^+ e^-
\ra \eta\gamma and e^+ e^- \ra \pi^0 \pi^+\pi^- cross sections. It is shown
that the fit of these data sets also predicts an accurate description of the
\eta/\eta^\prime \ra \pi^+ \pi^- \gamma decays fully consistent with the
reported information on their branching fractions and spectra. Finally, one
also derives from our global fits products of widths of the form \Gamma (V \ra
f_1)\Gamma(V \ra e^+ e^-) and ratios of the form \Gamma (V \ra f_1)/\Gamma
(V \ra f_2) describing decays of vector mesons to several non--leptonic final
states.Comment: 58 pages, 10 figures Corrected a few misprints. Footnote 10 change
Can VMD improve the estimate of the muon g-2 ?
We show that a VMD based theoretical input allows for a significantly
improved accuracy for the hadronic vacuum polarization of the photon which
contributes to the theoretical estimate of the muon g-2. We also show that the
only experimental piece of information in the decay which cannot be
accounted for is the accepted value for {\rm Br}(\tau \ra \pi \pi \nu_\tau),
while the spectum lineshape is in agreement with expectations from
annihilations.Comment: 6 pages, 1 figure Proceedings of the PhiPsi09, Oct. 13-16, 2009,
Beijing, Chin
The Business Cycle in the Philippines
This paper provides an overall picture of the Philippine business cycles covering the period 1981 to 2003 by characterizing them in terms of volatility, co-movement and persistence. As a trend-cycle decomposition technique, the most frequently used Hodrick Prescott filter was applied. The period under investigation brought about three cycles: 1983-1989, 1989-1997 and 1997-2000 with initially very erratic but over time smoother fluctuations. In resemblance with industrialized countries, investment turns out to be the most volatile and consumption the least volatile national expenditure component, potentially pointing at Keynes assertion of animal spirits of investors as the source for the former phenomenon. Further, with the exception of prices, inflation and the terms of trade, all variables have strong and positive correlations with GDP. The strong negative price-output correlation, and the weak positive inflation-output correlation identify supply shocks as the triggering factor for observed business cycles, pointing at either technological change or drastic changes in the weather as possible spurring factors. Moreover, the investigation clearly reveals procyclical fiscal and monetary policy interventions, contradicting theoretical prescriptions of countercyclical stabilization policies to swiftly overcome economic recessions. Finally, all key macroeconomic variables show fairly low persistence, substantiating the Philippines popularity for its boom-bust cycles
A sub-product construction of Poincare-Einstein metrics
Given any two Einstein (pseudo-)metrics, with scalar curvatures suitably
related, we give an explicit construction of a Poincar\'e-Einstein
(pseudo-)metric with conformal infinity the conformal class of the product of
the initial metrics. We show that these metrics are equivalent to ambient
metrics for the given conformal structure. The ambient metrics have holonomy
that agrees with the conformal holonomy. In the generic case the ambient metric
arises directly as a product of the metric cones over the original Einstein
spaces. In general the conformal infinity of the Poincare metrics we construct
is not Einstein, and so this describes a class of non-conformally Einstein
metrics for which the (Fefferman-Graham) obstruction tensor vanishes.Comment: 23 pages Minor correction to section 5. References update
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