31 research outputs found
Dynamical Correlations in a Half-Filled Landau Level
We formulate a self-consistent field theory for the Chern-Simons fermions to
study the dynamical response function of the quantum Hall system at .
Our scheme includes the effect of correlations beyond the random-phase
approximation (RPA) employed to this date for this system. The resulting
zero-frequency density response function vanishes as the square of the wave
vector in the long-wavelength limit. The longitudinal conductivity calculated
in this scheme shows linear dependence on the wave vector, like the
experimentals results and the RPA, but the absolute values are higher than the
experimental results.Comment: 4 pages, revtex, 3 figures included. Corrected typo
Exchange-correlation potential for Current Density Functional Theory of frequency dependent linear response
The dynamical, long-wavelength longitudinal and transverse
exchange-correlation potentials for a homogeneous electron gas are evaluated in
a microscopic model based on an approximate decoupling of the equation of
motion for the current-current response function. The transverse spectrum turns
out to be very similar to the longitudinal one. We obtain evidence for a strong
spectral structure near twice the plasma frequency due to a two-plasmon
threshold for two-pair excitations, which may be observable in inelastic
scattering experiments. Our results give the entire input needed to implement
the Time-Dependent Current Density Functional Theory scheme recently developed
by G. Vignale and W. Kohn [Phys. Rev. Lett. 77, 2037 (1996)] and are fitted to
analytic functions to facilitate such applications.Comment: 6 pages, 3 figure
Dynamic exchange-correlation potentials for the electron gas in dimensionality D=3 and D=2
Recent progress in the formulation of a fully dynamical local approximation
to time-dependent Density Functional Theory appeals to the longitudinal and
transverse components of the exchange and correlation kernel in the linear
current-density response of the homogeneous fluid at long wavelength. Both
components are evaluated for the electron gas in dimensionality D=3 and D=2 by
an approximate decoupling in the equation of motion for the current density,
which accounts for processes of excitation of two electron-hole pairs. Each
pair is treated in the random phase approximation, but the role of exchange and
correlation is also examined; in addition, final-state exchange processes are
included phenomenologically so as to satisfy the exactly known high-frequency
behaviours of the kernel. The transverse and longitudinal spectra involve the
same decay channels and are similar in shape. A two-plasmon threshold in the
spectrum for two-pair excitations in D=3 leads to a sharp minimum in the real
part of the exchange and correlation kernel at twice the plasma frequency. In
D=2 the same mechanism leads to a broad spectral peak and to a broad minimum in
the real part of the kernel, as a consequence of the dispersion law of the
plasmon vanishing at long wavelength. The numerical results have been fitted to
simple analytic functions.Comment: 13 pages, 11 figures included. Accepted for publication in Phys. Rev.
A multi-element psychosocial intervention for early psychosis (GET UP PIANO TRIAL) conducted in a catchment area of 10 million inhabitants: study protocol for a pragmatic cluster randomized controlled trial
Multi-element interventions for first-episode psychosis (FEP) are promising, but have mostly been conducted in non-epidemiologically representative samples, thereby raising the risk of underestimating the complexities involved in treating FEP in 'real-world' services
Cortisol, cognition and the ageing prefrontal cortex
The structural and functional decline of the ageing human brain varies by brain
region, cognitive function and individual. The underlying biological mechanisms are
poorly understood. One potentially important mechanism is exposure to
glucocorticoids (GCs; cortisol in humans); GC production is increasingly varied with
age in humans, and chronic exposure to high levels is hypothesised to result in
cognitive decline via cerebral remodelling. However, studies of GC exposure in
humans are scarce and methodological differences confound cross-study comparison.
Furthermore, there has been little focus on the effects of GCs on the frontal lobes and
key white matter tracts in the ageing brain. This thesis therefore examines
relationships among cortisol levels, structural brain measures and cognitive
performance in 90 healthy, elderly community-dwelling males from the Lothian
Birth Cohort 1936. Salivary cortisol samples characterised diurnal (morning and
evening) and reactive profiles (before and after a cognitive test battery). Structural
variables comprised Diffusion Tensor Imaging measures of major brain tracts and a
novel manual parcellation method for the frontal lobes. The latter was based on a
systematic review of current manual methods in the context of putative function and
cytoarchitecture. Manual frontal lobe brain parcellation conferred greater spatial and
volumetric accuracy when compared to both single- and multi-atlas parcellation at
the lobar level. Cognitive ability was assessed via tests of general cognitive ability,
and neuropsychological tests thought to show differential sensitivity to the integrity
of frontal lobe sub-regions. The majority of, but not all frontal lobe test scores shared
considerable overlap with general cognitive ability, and cognitive scores correlated
most consistently with the volumes of the anterior cingulate. This is discussed in
light of the diverse connective profile of the cingulate and a need to integrate
information over more diffuse cognitive networks according to proposed de-differentiation
or compensation in ageing. Individuals with higher morning, evening
or pre-test cortisol levels showed consistently negative relationships with specific
regional volumes and tract integrity. Participants whose cortisol levels increased
between the start and end of cognitive testing showed selectively larger regional
volumes and lower tract diffusivity (correlation magnitudes <.44). The significant
relationships between cortisol levels and cognition indicated that flatter diurnal
slopes or higher pre-test levels related to poorer test performance. In contrast, higher
levels in the morning generally correlated with better scores (correlation magnitudes
<.25). Interpretation of all findings was moderated by sensitivity to type I error,
given the large number of comparisons conducted. Though there were limited
candidates for mediation analysis, cortisol-function relationships were partially
mediated by tract integrity (but not sub-regional frontal volumes) for memory and
post-error slowing. This thesis offers a novel perspective on the complex interplay
among glucocorticoids, cognition and the structure of the ageing brain. The findings
suggest some role for cortisol exposure in determining age-related decline in
complex cognition, mediated via brain structure
Temperature and pressure effects on GFP mutants: explaining spectral changes by molecular dynamics simulations and TD-DFT calculations.
By combining spectroscopic measurements under high pressure with molecular dynamics simulations and quantum mechanics calculations we investigate how sub-angstrom structural perturbations are able to tune protein function. We monitored the variations in fluorescence output of two green fluorescent protein mutants (termed Mut2 and Mut2Y, the latter containing the key T203Y mutation) subjected to pressures up to 600 MPa, at various temperatures in the 280-320 K range. By performing 150 ns molecular dynamics simulations of the protein structures at various pressures, we evidenced subtle changes in conformation and dynamics around the light-absorbing chromophore. Such changes explain the measured spectral tuning in the case of the sizable 120 cm(-1) red-shift observed for pressurized Mut2Y, but absent in Mut2. Previous work [Barstow et al., Proc. Natl. Acad. Sci. U. S. A., 2008, 105, 13362] on pressure effects on GFP also involved a T203Y mutant. On the basis of cryocooling X-ray crystallography, the pressure-induced fluorescence blue shift at low temperature (77 K) was attributed to key changes in relative conformation of the chromophore and Tyr203 phenol ring. At room temperature, however, a red shift was observed at high pressure, analogous to the one we observe in Mut2Y. Our investigation of structural variations in compressed Mut2Y also explains their result, bridging the gap between low-temperature and room-temperature high-pressure effects
Nano-sized optical devices for applications in proteomics and biomolecular electronics: engineered green fluorescence proteins
Functional Nanomaterials is the first and unique compilation of the state-of-the-art review chapters covering all aspects of functional nanomaterials and their applications. Nanotechnology has led to a profound paradigm shift after the developments in recent years and after being classified as one of the most important areas of impending technology by the U.S. government. Novel functional nanomaterials are the basis of newly emerging nanotechnologies for various device applications. This book with 30 chapters reflects the tremendous world-wide interest in functional nanostructured materials. The wide variety of topics covered in this book is interesting for professionals working in the fundamental and applied research. The book covers major classes of nanomaterials such as carbon nanotubes, carbon and polymer nanofibers, nanoparticles, nanocomposites, nanosheets, fullerenes, supramolecular and self-assembled nanostructures, and many other types of nanomaterials. In addition, thi..
Molecular dynamics and binding specificity analysis of the bovine immunodeficiency virus BIV Tat-TAR complex.
We have performed molecular dynamics (MD) simulations, with particle-mesh Ewald, explicit waters, and counterions, and binding specificity analyses using combined molecular mechanics and continuum solvent (MM-PBSA) on the bovine immunodeficiency virus (BIV) Tat peptide-TAR RNA complex. The solution structure for the complex was solved independently by Patel and co-workers and Puglisi and co-workers. We investigated the differences in both structures and trajectories, particularly in the formation of the U-A-U base triple, the dynamic flexibility of the Tat peptide, and the interactions at the binding interface. We observed a decrease in RMSD in comparing the final average RNA structures and initial RNA structures of both trajectories, which suggests the convergence of the RNA structures to a MD equilibrated RNA structure. We also calculated the relative binding of different Tat peptide mutants to TAR RNA and found qualitative agreement with experimental studies