3,430 research outputs found
Vacuum stability and the Cholesky decomposition
We discuss how the Cholesky decomposition may be used to ascertain whether a
critical point of the field theory scalar potential provides a stable vacuum
configuration. We then use this method to derive the stability conditions in a
specific example.Comment: 7 page
Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping
We address one of the main challenges to TiO2-photocatalysis, namely band gap
narrowing, by combining nanostructural changes with doping. With this aim we
compare TiO2's electronic properties for small 0D clusters, 1D nanorods and
nanotubes, 2D layers, and 3D surface and bulk phases using different
approximations within density functional theory and GW calculations. In
particular, we propose very small (R < 0.5 nm) but surprisingly stable
nanotubes with promising properties. The nanotubes are initially formed from
TiO2 layers with the PtO2 structure, with the smallest (2,2) nanotube relaxing
to a rutile nanorod structure. We find that quantum confinement effects - as
expected - generally lead to a widening of the energy gap. However,
substitutional doping with boron or nitrogen is found to give rise to
(meta-)stable structures and the introduction of dopant and mid-gap states
which effectively reduce the band gap. Boron is seen to always give rise to
n-type doping while depending on the local bonding geometry, nitrogen may give
rise to n-type or p-type doping. For under coordinated TiO2 surface structures
found in clusters, nanorods, nanotubes, layers and surfaces nitrogen gives rise
to acceptor states while for larger clusters and bulk structures donor states
are introduced
Evaluation of Chromane Derivatives: Promising Privileged Scaffolds for Lead Discovery within Alzheimerâs Disease
The chromane ring system is widely distributed in nature and has proven to be a highly potent pharmacophore in medicinal chemistry, which includes the area of Alzheimerâs and Parkinsonâs diseases. We report on the development of a gem-dimethylchroman-4-ol family that was shown to give good inhibition of equine serum butyrylcholinesterase (eqBuChE) (in the range 2.9 â 7.3 ÎŒM) and in the same range of currently used drugs. We also synthesized a small library of gem-dimethylchroman-4-amine compounds, via a simple reductive amination of the corresponding chromanone precursor, that were also selective for eqBuChE presenting inhibitions in the range 7.6 â 67 ÎŒM. Kinetic studies revealed that they were mixed inhibitors. Insights into their mechanism of action were obtained through molecular docking and STD-NMR experiments, and the most active examples showed excellent drug-likeness and pharmacological properties predicted using Swiss-ADME. We also prepared a set of propargyl gem-dimethylchromanamines, for monoamine oxidase (MAO) inhibition but they were only moderately active (the best being 28% inhibition at 1 ”M on MAO-B). Overall, our compounds were found to be best suited as inhibitors for BuChE
Nuclear structure and reaction studies at SPIRAL
The SPIRAL facility at GANIL, operational since 2001, is described briefly.
The diverse physics program using the re-accelerated (1.2 to 25 MeV/u) beams
ranging from He to Kr and the instrumentation specially developed for their
exploitation are presented. Results of these studies, using both direct and
compound processes, addressing various questions related to the existence of
exotic states of nuclear matter, evolution of new "magic numbers", tunnelling
of exotic nuclei, neutron correlations, exotic pathways in astrophysical sites
and characterization of the continuum are discussed. The future prospects for
the facility and the path towards SPIRAL2, a next generation ISOL facility, are
also briefly presented.Comment: 48 pages, 27 figures. Accepted for publication in Journal of Physics
Two Loop R-Symmetry Breaking
We analyze two loop quantum corrections for pseudomoduli in O'Raifeartaigh
like models. We argue that R-symmetry can be spontaneously broken at two loop
in non supersymmetric vacua. We provide a basic example with this property. We
discuss on phenomenological applications.Comment: 13 pages, 5 figures, JHEP3.cls, reference adde
Asteroseismic fundamental properties of solar-type stars observed by the NASA Kepler Mission
We use asteroseismic data obtained by the NASA Kepler Mission to estimate the
fundamental properties of more than 500 main-sequence and sub-giant stars. Data
obtained during the first 10 months of Kepler science operations were used for
this work, when these solar-type targets were observed for one month each in a
survey mode. Stellar properties have been estimated using two global
asteroseismic parameters and complementary photometric and spectroscopic data.
Homogeneous sets of effective temperatures were available for the entire
ensemble from complementary photometry; spectroscopic estimates of T_eff and
[Fe/H] were available from a homogeneous analysis of ground-based data on a
subset of 87 stars. [Abbreviated version... see paper for full abstract.]Comment: Accepted for publication in ApJS; 90 pages, 22 figures, 6 tables.
Units on rho in tables now listed correctly as rho(Sun
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