457 research outputs found
Advanced Security Infrastructures for Grid Education
This paper describes the research conducted into advanced authorization infrastructures at the National e-Science Centre (NeSC) at the University of Glasgow and their application to support a teaching environment as part of the Dynamic Virtual Organisations in e-Science Education (DyVOSE) project. We outline the lessons learnt in teaching Grid computing and rolling out the associated security authorisation infrastructures, and describe our plans for a future, extended security infrastructure for dynamic establishment of inter-institutional virtual organisations (VO) in the education domain
Mesoscopic theory for size- and charge- asymmetric ionic systems. I. Case of extreme asymmetry
A mesoscopic theory for the primitive model of ionic systems is developed for
arbitrary size, , and charge, ,
asymmetry. Our theory is an extension of the theory we developed earlier for
the restricted primitive model. The case of extreme asymmetries
and is studied in some detail in a mean-field
approximation. The phase diagram and correlation functions are obtained in the
asymptotic regime and , and for infinite
dilution of the larger ions (volume fraction or less). We find a
coexistence between a very dilute 'gas' phase and a crystalline phase in which
the macroions form a bcc structure with the lattice constant . Such coexistence was observed experimentally in deionized aqueous
solutions of highly charged colloidal particles
Critical behavior of a fluid in a disordered porous matrix: An Ornstein-Zernike approach
Using a liquid-state approach based on Ornstein-Zernike equations, we study
the behavior of a fluid inside a porous disordered matrix near the liquid-gas
critical point.The results obtained within various standard approximation
schemes such as lowest-order -ordering and the mean-spherical
approximation suggest that the critical behavior is closely related to that of
the random-field Ising model (RFIM).Comment: 10 pages, revtex, to appear in Physical Review Letter
Field theory for size- and charge asymmetric primitive model of electrolytes. Mean-field stability analysis and pretransitional effects
The primitive model of ionic systems is investigated within a field-theoretic
description for the whole range of size-, \lambda, and charge, Z, ratios of the
two ionic species. Two order parameters (OP) are identified, and their
relations to physically relevant quantities are described for various values of
\lambda and Z. Instabilities of the disordered phase associated with the two
OP's are determined in the mean-field approximation.
A gas-liquid separation occurs for any Z and \lambda different from 1. In
addition, an instability with respect to various types of periodic ordering of
the two kinds of ions is found
Exposure to NO2, CO, and PM2.5 is linked to regional DNA methylation differences in asthma.
Background:DNA methylation of CpG sites on genetic loci has been linked to increased risk of asthma in children exposed to elevated ambient air pollutants (AAPs). Further identification of specific CpG sites and the pollutants that are associated with methylation of these CpG sites in immune cells could impact our understanding of asthma pathophysiology. In this study, we sought to identify some CpG sites in specific genes that could be associated with asthma regulation (Foxp3 and IL10) and to identify the different AAPs for which exposure prior to the blood draw is linked to methylation levels at these sites. We recruited subjects from Fresno, California, an area known for high levels of AAPs. Blood samples and responses to questionnaires were obtained (n = 188), and in a subset of subjects (n = 33), repeat samples were collected 2 years later. Average measures of AAPs were obtained for 1, 15, 30, 90, 180, and 365 days prior to each blood draw to estimate the short-term vs. long-term effects of the AAP exposures. Results:Asthma was significantly associated with higher differentially methylated regions (DMRs) of the Foxp3 promoter region (p = 0.030) and the IL10 intronic region (p = 0.026). Additionally, at the 90-day time period (90 days prior to the blood draw), Foxp3 methylation was positively associated with NO2, CO, and PM2.5 exposures (p = 0.001, p = 0.001, and p = 0.012, respectively). In the subset of subjects retested 2 years later (n = 33), a positive association between AAP exposure and methylation was sustained. There was also a negative correlation between the average Foxp3 methylation of the promoter region and activated Treg levels (p = 0.039) and a positive correlation between the average IL10 methylation of region 3 of intron 4 and IL10 cytokine expression (p = 0.030). Conclusions:Short-term and long-term exposures to high levels of CO, NO2, and PM2.5 were associated with alterations in differentially methylated regions of Foxp3. IL10 methylation showed a similar trend. For any given individual, these changes tend to be sustained over time. In addition, asthma was associated with higher differentially methylated regions of Foxp3 and IL10
A Monte Carlo Approach for Studying Microphases Applied to the Axial Next-Nearest-Neighbor Ising and the Ising-Coulomb Models
The equilibrium phase behavior of microphase-forming systems is notoriously
difficult to obtain because of the extended metastability of their modulated
phases. In this paper we present a systematic simulation methodology for
studying layered microphases and apply the approach to two prototypical
lattice-based systems: the three-dimensional axial next-nearest-neighbor Ising
(ANNNI) and Ising-Coulomb (IC) models. The method involves thermodynamically
integrating along a reversible path established between a reference system of
free spins under an ordering field and the system of interest. The resulting
free energy calculations unambiguously locate the phase boundaries. The simple
phases are not observed to play a particularly significant role in the devil's
flowers. With the help of generalized order parameters, the
paramagnetic-modulated critical transition of the ANNNI model is also studied.
We confirm the XY universality of the paramagnetic-modulated transition and its
isotropic nature. Interfacial roughening is found to play at most a small role
in the ANNNI layered regime.Comment: 15 pages, 11 figures, 2 table
Modelling colloids with Baxter's adhesive hard sphere model
The structure of the Baxter adhesive hard sphere fluid is examined using
computer simulation. The radial distribution function (which exhibits unusual
discontinuities due to the particle adhesion) and static structure factor are
calculated with high accuracy over a range of conditions and compared with the
predictions of Percus--Yevick theory. We comment on rigidity in percolating
clusters and discuss the role of the model in the context of experiments on
colloidal systems with short-range attractive forces.Comment: 14 pages, 7 figures. (For proceedings of "Structural arrest in
colloidal systems with short-range attractive forces", Messina, December
2003
Asymmetric Primitive-Model Electrolytes: Debye-Huckel Theory, Criticality and Energy Bounds
Debye-Huckel (DH) theory is extended to treat two-component size- and
charge-asymmetric primitive models, focussing primarily on the 1:1 additive
hard-sphere electrolyte with, say, negative ion diameters, a--, larger than the
positive ion diameters, a++. The treatment highlights the crucial importance of
the charge-unbalanced ``border zones'' around each ion into which other ions of
only one species may penetrate. Extensions of the DH approach which describe
the border zones in a physically reasonable way are exact at high and low
density, , and, furthermore, are also in substantial agreement with
recent simulation predictions for \emph{trends} in the critical parameters,
and , with increasing size asymmetry. Conversely, the simplest
linear asymmetric DH description, which fails to account for physically
expected behavior in the border zones at low , can violate a new lower bound
on the energy (which applies generally to models asymmetric in both charge and
size). Other recent theories, including those based on the mean spherical
approximation, have predicted trends in the critical parameters quite opposite
to those established by the simulations.Comment: to appear in Physical Review
Equilibrium solvation in quadrupolar solvents
We present a microscopic theory of equilibrium solvation in solvents with
zero dipole moment and non-zero quadrupole moment (quadrupolar solvents). The
theory is formulated in terms of autocorrelation functions of the quadrupolar
polarization (structure factors). It can be therefore applied to an arbitrary
dense quadrupolar solvent for which the structure factors are defined. We
formulate a simple analytical perturbation treatment for the structure factors.
The solute is described by coordinates, radii, and partial charges of
constituent atoms. The theory is tested on Monte Carlo simulations of solvation
in model quadrupolar solvents. It is also applied to the calculation of the
activation barrier of electron transfer reactions in a cleft-shaped
donor-acceptor complex dissolved in benzene with the structure factors of
quadrupolar polarization obtained from Molecular Dynamics simulations.Comment: Submitted to J. Chem. Phys., 20 pages and 13 figure
- …