1,297 research outputs found
Threshold criterion for wetting at the triple point
Grand canonical simulations are used to calculate adsorption isotherms of
various classical gases on alkali metal and Mg surfaces. Ab initio adsorption
potentials and Lennard-Jones gas-gas interactions are used. Depending on the
system, the resulting behavior can be nonwetting for all temperatures studied,
complete wetting, or (in the intermediate case) exhibit a wetting transition.
An unusual variety of wetting transitions at the triple point is found in the
case of a specific adsorption potential of intermediate strength. The general
threshold for wetting near the triple point is found to be close to that
predicted with a heuristic model of Cheng et al. This same conclusion was drawn
in a recent experimental and simulation study of Ar on CO_2 by Mistura et al.
These results imply that a dimensionless wetting parameter w is useful for
predicting whether wetting behavior is present at and above the triple
temperature. The nonwetting/wetting crossover value found here is w circa 3.3.Comment: 15 pages, 8 figure
Consistent Anisotropic Repulsions for Simple Molecules
We extract atom-atom potentials from the effective spherical potentials that
suc cessfully model Hugoniot experiments on molecular fluids, e.g., and
. In the case of the resulting potentials compare very well with the
atom-atom potentials used in studies of solid-state propertie s, while for
they are considerably softer at short distances. Ground state (T=0K) and
room temperatu re calculations performed with the new potential resolve
the previous discrepancy between experimental and theoretical results.Comment: RevTeX, 5 figure
Random forest for gene selection and microarray data classification
A random forest method has been selected to perform both gene selection and classification of the microarray data. In this
embedded method, the selection of smallest possible sets of genes with lowest error rates is the key factor in achieving highest
classification accuracy. Hence, improved gene selection method using random forest has been proposed to obtain the smallest
subset of genes as well as biggest subset of genes prior to classification. The option for biggest subset selection is done to assist
researchers who intend to use the informative genes for further research. Enhanced random forest gene selection has performed
better in terms of selecting the smallest subset as well as biggest subset of informative genes with lowest out of bag error rates
through gene selection. Furthermore, the classification performed on the selected subset of genes using random forest has lead to
lower prediction error rates compared to existing method and other similar available methods
Glucocorticoids regulate AKR1D1 activity in human liver in vitro and in vivo
Steroid 5β-reductase (AKR1D1) is highly expressed in human liver where it inactivates endogenous glucocorticoids and catalyses an important step in bile acid synthesis. Endogenous and synthetic glucocorticoids are potent regulators of metabolic phenotype and play a crucial role in hepatic glucose metabolism. However, the potential of synthetic glucocorticoids to be metabolised by AKR1D1 as well as to regulate its expression and activity has not been investigated. The impact of glucocorticoids on AKR1D1 activity was assessed in human liver HepG2 and Huh7 cells; AKR1D1 expression was assessed by qPCR and Western blotting. Genetic manipulation of AKR1D1 expression was conducted in HepG2 and Huh7 cells and metabolic assessments were made using qPCR. Urinary steroid metabolite profiling in healthy volunteers was performed pre- and post-dexamethasone treatment, using gas chromatography-mass spectrometry. AKR1D1 metabolised endogenous cortisol, but cleared prednisolone and dexamethasone less efficiently. In vitro and in vivo, dexamethasone decreased AKR1D1 expression and activity, further limiting glucocorticoid clearance and augmenting action. Dexamethasone enhanced gluconeogenic and glycogen synthesis gene expression in liver cell models and these changes were mirrored by genetic knockdown of AKR1D1 expression. The effects of AKR1D1 knockdown were mediated through multiple nuclear hormone receptors, including the glucocorticoid, pregnane X and farnesoid X receptors. Glucocorticoids down-regulate AKR1D1 expression and activity and thereby reduce glucocorticoid clearance. In addition, AKR1D1 down-regulation alters the activation of multiple nuclear hormone receptors to drive changes in gluconeogenic and glycogen synthesis gene expression profiles, which may exacerbate the adverse impact of exogenous glucocorticoids
From nonwetting to prewetting: the asymptotic behavior of 4He drops on alkali substrates
We investigate the spreading of 4He droplets on alkali surfaces at zero
temperature, within the frame of Finite Range Density Functional theory. The
equilibrium configurations of several 4He_N clusters and their asymptotic trend
with increasing particle number N, which can be traced to the wetting behavior
of the quantum fluid, are examined for nanoscopic droplets. We discuss the size
effects, inferring that the asymptotic properties of large droplets correspond
to those of the prewetting film
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