By means of molecular dynamics simulations of a pair of methane molecules in a TIP3P periodic water box with the NVT scheme at six temperatures and, additionally, the NPT scheme at three temperatures ranging from T = 283 to 373 K, we determined the potential of mean force (PMF) of pairs of interacting methane molecules in water as functions of distance between the methane molecules. The PMFs co...

BACKGROUND Invasive and non-invasive tests have been used to identify the risk of ventricular tachycardia (VT) in patients with chronic Chagas' heart disease (CCHD). Cardiac magnetic resonance imaging (CMRI) using the delayed enhancement (DE) technique can be useful to select patients with global or segmentary ventricular dysfunction, with high degree of fibrosis and at higher risk for clinical...

The seven-valent pneumococcal conjugate vaccine (PCV7) was added to the UK national immunisation programme in September 2006. PCV13 replaced PCV7 in April 2010. As carriage precedes disease cases this study collected carried pneumococci from children each winter from 2006/7 to 2010/11 over PCV introduction. Conventional microbiology and whole genome sequencing were utilised to characterise pneu...

Computational selective attention systems have mostly been developed as models of human attention, and they have been evaluated on that basis. Now, however, they are being used as front ends to object recognition systems, and in particular to appearance-based recognition systems. As such, they need to be evaluated by other criteria. A common goal for object recognition systms in invariance to 2...

Presenting simple coarse-grained models of isotropic solids and fluids in d = 1 , 2 and 3 dimensions we investigate the correlations of the instantaneous pressure and its ideal and excess contributions at either imposed pressure (NPT-ensemble, λ = 0 or volume (NVT-ensemble, λ = 1 and for more general values of the dimensionless parameter λ characterizing the constant-volume constraint. The stre...

[1] In several instances, the passing surface waves from large earthquakes have ignited nonvolcanic tremor (NVT) on major faults. Still, the mechanism of tremor and its reaction to the dynamic stressing from various body and surface waves is poorly understood. We examine tremor near Parkfield, California, beneath the San Andreas fault triggered by the Mw 9.2, 2004 Sumatra earthquake. The prolon...

Vaccination with heptavalent pneumococcal conjugate vaccine (PCV7) has significantly reduced the burden of pneumococcal disease and has had an important public health benefit. Because this vaccine targets only seven of the more than 92 pneumococcal serotypes, concerns have been raised that non-vaccine serotypes (NVTs) could increase in prevalence and reduce the benefits of vaccination. Indeed, ...

The self-assembly structures of dumbbell-shaped supramolecules are investigated using a simple sphere-rod-sphere (SRS) model. Through the simulated annealing Monte Carlo simulation under NVT condition, two variations this model, i.e. rigid/semi-rigid compared by their order parameters. We found that, varying interactions SRS various nanostructures such as cross-linked networks, clusters phases,...

The growth of a methane hydrate seed within silica slit pore fixed width has been studied using All-Atom Molecular Dynamics (AA-MD). An AA force field used to describe the molecules solid substrate, with α-quartz crystalline structure. crystallisation hydrates in confined geometries is not well understood yet, and objective this work study inside molecular simulation. Both NVT NpT ensembles wer...