Outer membrane vesicles (OMVs) are spherical nanostructures that are ubiquitously shed from gram-negative bacteria both in vitro and in vivo. Recent findings revealed that OMVs, which contain diverse components derived from the parent bacterium, play an important role in communication with neighboring bacteria and the environment. Furthermore, nanoscale proteoliposomes decorated with pathogen-a...

The first application of the time-dependent close-coupling method to electron– molecule scattering is used to calculate electron-impact ionization cross sections for H2. The time-dependent Schrödinger equation for the sixdimensional wavefunction is reduced to a set of close-coupled equations on a four-dimensional numerical lattice in (r1, θ1, r2, θ2) centre-of-mass spherical polar coordinates. ...

The study of particle motion on spherical surfaces is relevant to adsorption on buckyballs and other solid particles. This paper reports results for the binding energy of such dimers, consisting of two light particles (He atoms or hydrogen molecules) constrained to move on a spherical surface. The binding energy reaches a particularly large value when the radius of the sphere is about 3/4 of th...

In recent years, a wealth of information has been uncovered about viiration to vibration (V-V) and vibration to translation/rotation (V-T/R) energy transfer processes in polyatomic molecules, much of it by the technique of laser induced fluorescence [ 1,2] . The substituted methanes have been the subject of extensive research in this area. With respect to energy transfer pathways, some of the b...

In this article we apply the volume-perturbation method to systems of particles interacting via discontinuous potentials. We have found that an accurate Monte Carlo simulation protocol can be used in order to study properties of very general non-spherical systems with discontinuous potentials, such as chain molecules and spherocylinders with square-well interactions, and chain molecules with sq...

Membranes are important components in a number of systems, where separation and control of the flow of molecules is desirable. Controllable membranes represent an even more coveted and desirable entity and their development is considered to be the next step of development. Typically, membranes are considered on flat surfaces, but spherical capsules possess a perfect "infinite" or fully suspende...

The non-nucleoside reverse transcriptase inhibitor (NNRTI) TMC278/rilpivirine is an anti-AIDS therapeutic agent with high oral bioavailability despite its high hydrophobicity. Previous studies established a correlation between ability of the drug molecule to form stable, homogeneous populations of spherical nanoparticles (approximately 100-120 nm in diameter) at low pH in surfactant-independent...

We investigate the obstructed motion of tracer (test) particles in crowded environments by carrying simulations of two-dimensional Gaussian random walk in model fibrinogen monolayers of different orientational ordering. The fibrinogen molecules are significantly anisotropic and therefore they can form structures where orientational ordering, similar to the one observed in nematic liquid crystal...

We show that ultracold polar molecules pinned in an optical lattice can be used to access a variety of exotic spin models, including the Kitaev honeycomb model. Treating each molecule as a rigid rotor, we use DC electric and microwave fields to define superpositions of rotational levels as effective spin degrees of freedom, while dipole-dipole interactions give rise to interactions between the ...

The behaviour of a non-spherical osmotic motor an axisymmetric catalytic particle self-propelling in a dilute dispersion of reactant particles is considered. In concrast to a conventional osmotic motor that creates differences in concentration, and hence in osmotic pressure, due to asymmetry in reaction rate along its surface (e.g. a Janus particle with reactive and non-reactive patches), a non...