865 research outputs found
Liquid-vapor interface of a polydisperse fluid
We report a Grand Canonical Monte Carlo simulation study of the liquid-vapor
interface of a model fluid exhibiting polydispersity in terms of the particle
size . The bulk density distribution, , of the system
is controlled by the imposed chemical potential distribution . We
choose the latter such that assumes a Schulz form with
associated degree of polydispersity . By introducing a smooth
attractive wall, a planar liquid-vapor interface is formed for bulk state
points within the region of liquid-vapor coexistence. Owing to fractionation,
the pure liquid phase is enriched in large particles, with respect to the
coexisting vapor. We investigate how the spatial non-uniformity of the density
near the liquid-vapor interface affects the evolution of the local distribution
of particle sizes between the limiting pure phase forms. We find (as previously
predicted by density functional theory, Bellier-Castella {\em et al}, Phys.
Rev. {\bf E65}, 021503 (2002)) a segregation of smaller particles to the
interface. The magnitude of this effect is quantified for various via
measurements of the relative adsorption. Additionally, we consider the utility
of various estimators for the interfacial width and highlight the difficulties
of isolating the intrinsic contribution of polydispersity to this width.Comment: 9 pages, 10 Fig
Depletion potentials in highly size-asymmetric binary hard-sphere mixtures: Comparison of accurate simulation results with theory
We report a detailed study, using state-of-the-art simulation and theoretical
methods, of the depletion potential between a pair of big hard spheres immersed
in a reservoir of much smaller hard spheres, the size disparity being measured
by the ratio of diameters q=\sigma_s/\sigma_b. Small particles are treated
grand canonically, their influence being parameterized in terms of their
packing fraction in the reservoir, \eta_s^r. Two specialized Monte Carlo
simulation schemes --the geometrical cluster algorithm, and staged particle
insertion-- are deployed to obtain accurate depletion potentials for a number
of combinations of q\leq 0.1 and \eta_s^r. After applying corrections for
simulation finite-size effects, the depletion potentials are compared with the
prediction of new density functional theory (DFT) calculations based on the
insertion trick using the Rosenfeld functional and several subsequent
modifications. While agreement between the DFT and simulation is generally
good, significant discrepancies are evident at the largest reservoir packing
fraction accessible to our simulation methods, namely \eta_s^r=0.35. These
discrepancies are, however, small compared to those between simulation and the
much poorer predictions of the Derjaguin approximation at this \eta_s^r. The
recently proposed morphometric approximation performs better than Derjaguin but
is somewhat poorer than DFT for the size ratios and small sphere packing
fractions that we consider. The effective potentials from simulation, DFT and
the morphometric approximation were used to compute the second virial
coefficient B_2 as a function of \eta_s^r. Comparison of the results enables an
assessment of the extent to which DFT can be expected to correctly predict the
propensity towards fluid fluid phase separation in additive binary hard sphere
mixtures with q\leq 0.1.Comment: 16 pages, 9 figures, revised treatment of morphometric approximation
and reordered some materia
Wetting of a symmetrical binary fluid mixture on a wall
We study the wetting behaviour of a symmetrical binary fluid below the
demixing temperature at a non-selective attractive wall. Although it demixes in
the bulk, a sufficiently thin liquid film remains mixed. On approaching
liquid/vapour coexistence, however, the thickness of the liquid film increases
and it may demix and then wet the substrate. We show that the wetting
properties are determined by an interplay of the two length scales related to
the density and the composition fluctuations. The problem is analysed within
the framework of a generic two component Ginzburg-Landau functional
(appropriate for systems with short-ranged interactions). This functional is
minimized both numerically and analytically within a piecewise parabolic
potential approximation. A number of novel surface transitions are found,
including first order demixing and prewetting, continuous demixing, a
tricritical point connecting the two regimes, or a critical end point beyond
which the prewetting line separates a strongly and a weakly demixed film. Our
results are supported by detailed Monte Carlo simulations of a symmetrical
binary Lennard-Jones fluid at an attractive wall.Comment: submitted to Phys. Rev.
Probability distribution of the order parameter for the 3D Ising model universality class: a high precision Monte Carlo study
We study the probability distribution P(M) of the order parameter (average
magnetization) M, for the finite-size systems at the critical point. The
systems under consideration are the 3-dimensional Ising model on a simple cubic
lattice, and its 3-state generalization known to have remarkably small
corrections to scaling. Both models are studied in a cubic box with periodic
boundary conditions. The model with reduced corrections to scaling makes it
possible to determine P(M) with unprecedented precision. We also obtain a
simple, but remarkably accurate approximate formula describing the universal
shape of P(M).Comment: 6 pages, 6 Postscript figures, uses RevTe
Unsupervised machine learning of integrated health and social care data from the Macmillan Improving the Cancer Journey service in Glasgow
Background: Improving the Cancer Journey (ICJ) was launched in 2014 by Glasgow City Council and Macmillan Cancer Support. As part of routine service, data is collected on ICJ users including demographic and health information, results from holistic needs assessments and quality of life scores as measured by EQ-5D health status. There is also data on the number and type of referrals made and feedback from users on the overall service. By applying artificial intelligence and interactive visualization technologies to this data, we seek to improve service provision and optimize resource allocation.Method: An unsupervised machine-learning algorithm was deployed to cluster the data. The classical k-means algorithm was extended with the k-modes technique for categorical data, and the gap heuristic automatically identified the number of clusters. The resulting clusters are used to summarize complex data sets and produce three-dimensional visualizations of the data landscape. Furthermore, the traits of new ICJ clients are predicted by approximately matching their details to the nearest existing cluster center.Results: Cross-validation showed the modelâs effectiveness over a wide range of traits. For example, the model can predict marital status, employment status and housing type with an accuracy between 2.4 to 4.8 times greater than random selection. One of the most interesting preliminary findings is that area deprivation (measured through Scottish Index of Multiple Deprivation-SIMD) is a better predictor of an ICJ clientâs needs than primary diagnosis (cancer type).Conclusion: A key strength of this system is its ability to rapidly ingest new data on its own and derive new predictions from those data. This means the model can guide service provision by forecasting demand based on actual or hypothesized data. The aim is to provide intelligent person-centered recommendations. The machine-learning model described here is part of a prototype software tool currently under development for use by the cancer support community.Disclosure: Funded by Macmillan Cancer Support</p
Proteomic research in sarcomas - current status and future opportunities.
Sarcomas are a rare group of mesenchymal cancers comprising over 70 different histological subtypes. For the majority of these diseases, the molecular understanding of the basis of their initiation and progression remains unclear. As such, limited clinical progress in prognosis or therapeutic regimens have been made over the past few decades. Proteomics techniques are being increasingly utilised in the field of sarcoma research. Proteomic research efforts have thus far focused on histological subtype characterisation for the improvement of biological understanding, as well as for the identification of candidate diagnostic, predictive, and prognostic biomarkers for use in clinic. However, the field itself is in its infancy, and none of these proteomic research findings have been translated into the clinic. In this review, we provide a brief overview of the proteomic strategies that have been employed in sarcoma research. We evaluate key proteomic studies concerning several rare and ultra-rare sarcoma subtypes including, gastrointestinal stromal tumours, osteosarcoma, liposarcoma, leiomyosarcoma, malignant rhabdoid tumours, Ewing sarcoma, myxofibrosarcoma, and alveolar soft part sarcoma. Consequently, we illustrate how routine implementation of proteomics within sarcoma research, integration of proteomics with other molecular profiling data, and incorporation of proteomics into clinical trial studies has the potential to propel the biological and clinical understanding of this group of complex rare cancers moving forward
Multicritical behavior in the fully frustrated XY model and related systems
We study the phase diagram and critical behavior of the two-dimensional
square-lattice fully frustrated XY model (FFXY) and of two related models, a
lattice discretization of the Landau-Ginzburg-Wilson Hamiltonian for the
critical modes of the FFXY model, and a coupled Ising-XY model. We present a
finite-size-scaling analysis of the results of high-precision Monte Carlo
simulations on square lattices L x L, up to L=O(10^3).
In the FFXY model and in the other models, when the transitions are
continuous, there are two very close but separate transitions. There is an
Ising chiral transition characterized by the onset of chiral long-range order
while spins remain paramagnetic. Then, as temperature decreases, the systems
undergo a Kosterlitz-Thouless spin transition to a phase with quasi-long-range
order.
The FFXY model and the other models in a rather large parameter region show a
crossover behavior at the chiral and spin transitions that is universal to some
extent. We conjecture that this universal behavior is due to a multicritical
point. The numerical data suggest that the relevant multicritical point is a
zero-temperature transition. A possible candidate is the O(4) point that
controls the low-temperature behavior of the 4-vector model.Comment: 62 page
Liquid-Liquid Phase Transition for an Attractive Isotropic Potential with Wide Repulsive Range
Recent experimental and theoretical results have shown the existence of a
liquid-liquid phase transition in isotropic systems, such as biological
solutions and colloids, whose interaction can be represented via an effective
potential with a repulsive soft-core and an attractive part. We investigate how
the phase diagram of a schematic general isotropic system, interacting via a
soft-core squared attractive potential, changes by varying the parameters of
the potential. It has been shown that this potential has a phase diagram with a
liquid-liquid phase transition in addition to the standard gas-liquid phase
transition and that, for a short-range soft-core, the phase diagram resulting
from molecular dynamics simulations can be interpreted through a modified van
der Waals equation. Here we consider the case of soft-core ranges comparable
with or larger than the hard-core diameter. Because an analysis using molecular
dynamics simulations of such systems or potentials is too time-demanding, we
adopt an integral equation approach in the hypernetted-chain approximation.
Thus we can estimate how the temperature and density of both critical points
depend on the potential's parameters for large soft-core ranges. The present
results confirm and extend our previous analysis, showing that this potential
has two fluid-fluid critical points that are well separated in temperature and
in density only if there is a balance between the attractive and repulsive part
of the potential. We find that for large soft-core ranges our results satisfy a
simple relation between the potential's parameters
Arrhythmogenic gene remodelling in elderly patients with type 2 diabetes with aortic stenosis and normal left ventricular ejection fraction
New Findings
What is the central question of this study?
Type 2 diabetes is associated with a higher rate of ventricular arrhythmias compared with the nonâdiabetic population, but the associated myocardial gene expression changes are unknown; furthermore, it is also unknown whether any changes are attributable to chronic hyperglycaemia or are a consequence of structural changes.
What is the main finding and its importance?
We found downregulation of left ventricular ERG gene expression and increased NCX1 gene expression in humans with type 2 diabetes compared with control patients with comparable left ventricular hypertrophy and possible myocardial fibrosis. This was associated with QT interval prolongation. Diabetes and associated chronic hyperglycaemia may therefore promote ventricular arrhythmogenesis independently of structural changes.
Type 2 diabetes is associated with a higher rate of ventricular arrhythmias, and this is hypothesized to be independent of coronary artery disease or hypertension. To investigate further, we compared changes in left ventricular myocardial gene expression in type 2 diabetes patients with patients in a control group with left ventricular hypertrophy. Nine control patients and seven patients with type 2 diabetes with aortic stenosis undergoing aortic valve replacement had standard ECGs, signalâaveraged ECGs and echocardiograms before surgery. During surgery, a left ventricular biopsy was taken, and mRNA expressions for genes relevant to the cardiac action potential were estimated by RTâPCR. Mathematical modelling of the action potential and calcium transient was undertaken using the O'HaraâRudy model using scaled changes in gene expression. Echocardiography revealed similar values for left ventricular size, filling pressures and ejection fraction between groups. No difference was seen in positive signalâaveraged ECGs between groups, but the standard ECG demonstrated a prolonged QT interval in the diabetes group. Gene expression of KCNH2 and KCNJ3 were lower in the diabetes group, whereas KCNJ2 , KCNJ5 and SLC8A1 expression were higher. Modelling suggested that these changes would lead to prolongation of the action potential duration with generation of early afterâdepolarizations secondary to a reduction in density of the rapid delayed rectifier K+ current and increased Na+âCa2+ exchange current. These data suggest that diabetes leads to proâarrythmogenic changes in myocardial gene expression independently of left ventricular hypertrophy or fibrosis in an elderly population
A Search for Extraplanar Dust in Nearby Edge-On Spirals
We present high resolution BV images of 12 edge-on spiral galaxies observed
with the WIYN 3.5-m telescope. These images were obtained to search for
extraplanar (|z| > 0.4 kpc) absorbing dust structures similar to those
previously found in NGC 891 (Howk & Savage 1997). Our imaged galaxies include a
sample of seven massive L_*-like spiral galaxies within D<25 Mpc that have
inclinations i > 87 deg from the plane of the sky. We find that five of these
seven systems show extraplanar dust, visible as highly-structured absorbing
clouds against the background stellar light of the galaxies. The more prominent
structures are estimated to have associated gas masses >10^5 M_sun; the implied
potential energies are > 10^(52) ergs. All of the galaxies in our sample that
show detectable halpha emission at large z also show extraplanar dust
structures. None of those galaxies for which extraplanar halpha searches were
negative show evidence for extensive high-z dust. The existence of extraplanar
dust is a common property of massive spiral galaxies. We discuss several
mechanisms for shaping the observed dust features, emphasizing the possibility
that these dusty clouds represent the dense phase of a multiphase medium at
high-z in spiral galaxies. The correlation between high-z dust and extraplanar
Halpha emission may simply suggest that both trace the high-z interstellar
medium in its various forms (or phases), the existence of which may ultimately
be driven by vigorous star formation in the underlying disk. (Abstract
abridged)Comment: 26 pages; 15 jpeg figures. To appear in The Astronomical Journal, May
1999. Gzipped tar files of high-resolution figures in postscript and jpeg
formats are available at
http://www.astro.wisc.edu/~howk/Papers/papers.html#surve
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