An operational definition of collective cage variables previously introduced for liquid argon is extended, via a molecular dynamics study, to the rotational properties of axially symmetric molecules. Quantitative measures of the static and dynamic cage properties are extracted for liquid Cl2 near the triple point. The collective cage variables are well described by the potential acting on an ar...

Although coated vesicles can mediate both solute and receptor-mediated endocytosis, there are other kinds of endocytic vesicles that contribute to these processes. The relative contributions of these other organelles, particularly regarding solute influx, remains unsettled. Here we describe a physiological uncoupling of solute and receptor-mediated endocytosis that occurs during growth factor-s...

Measurements of diffusion and partitioning of solutes having molecular weights ranging 180-66 000 in PVA gel membranes with various crosslinking degree were carried out. With increasing solute size or decreasing number of average molecular weight between crosslinks of the membranes, both the solute permeability and partition coefficient decreased. In spite of similar solute sizes, the more hydr...

Our previous studies on solute drag on frog skin and synthetic heteropore membranes have been extended to a synthetic homopore membrane. The 150-A radius pores of this membrane are formed by irradiation and etching of polycarbonate films. The membrane is 6-microm thick and it has 6 x 10(8) pores cm(-2). In this study, sucrose has been used as the driver solute with bulk flow blocked by hydrosta...

Implicit solvent models for biomolecular simulations are reviewed and their underlying statistical mechanical basis is discussed. The fundamental quantity that implicit models seek to approximate is the solute potential of mean force, which determines the statistical weight of solute conformations, and which is obtained by averaging over the solvent degrees of freedom. It is possible to express...

The excess enthalpy and shear strain behavior of the β-Sn (101) grain boundary containing various amounts of Ag and Cu solute atoms was investigated using molecular simulation. An increase in either type of solute at the interface lowers the excess enthalpy of the grain boundary. The enthalpies of segregation for both solute types are computed as the slope of excess enthalpy of the grain bounda...

We obtain improved asymptotic solutions to the spin-coating with small evaporation model. In particular, the spinning of a solute-free fluid, and a two-component solvent–solute solution are studied. In addition, the non-negligible effect of the rise of solute concentration on the solution viscosity at the end of the spin-coating process is considered. 2013 Elsevier Inc. All rights reserved.

INTRODUCTION: Solute transport within the intervertebral disc is critical for the disc functions. Small molecular-weight solutes, such as glucose, lactate and oxygen, are the components of the nutrient supply and the metabolic waste removal. Molecular weight of enzymes and chemical drugs for the disc therapy are usually within the order of thousands of Dalton. Larger solutes such as cytokines (...

A general class of nonadditive sticky-hard-sphere binary mixtures, where small and large spheres represent the solvent and the solute, respectively, is introduced. The solute-solute and solvent-solvent interactions are of hard-sphere type, while the solute-solvent interactions are of sticky-hard-sphere type with tunable degrees of size nonadditivity and stickiness. Two particular and complement...