We use molecular dynamics simulations of the SPC-E model of liquid water to derive probability distributions for water density fluctuations in probe volumes of different shapes and sizes, both in the bulk as well as near hydrophobic and hydrophilic surfaces. Our results are obtained with a biased sampling of coarse-grained densities that is easily combined with molecular dynamics integration al...

Designer particles synthesized by surfactant-free emulsion polymerization were adsorbed successfully on the sapphire discs. The particles carried a thin layer of an atom transfer radical polymerization (ATRP) initiator on the surface and were subsequently successfully used to graft PNIPAAM brushes from the surface. The surface coverage of the discs by these particles could be improved by heat t...

   A modified morphology was introduced for poly(3-hexylthiophene):phenyl-C71-butyric acid methyl ester (P3HT:PC71BM) bulk heterojunction (BHJ) solar cells by thermal and solvent annealing treatments in the presence of hydrophilic-hydrophobic block copolymers. Power conversion efficiency (PCE) plummet was prohibited during both thermal and solvent treatments for all BHJ devices modified wit...

An understanding of the hydrophobicity of complex heterogeneous molecular assemblies is crucial to characterize and predict interactions between biomolecules. As such, uncovering the subtleties of assembly processes hinges on an accurate classification of the relevant interfaces involved, and much effort has been spent on developing so-called "hydrophobicity maps." In this work, we introduce a ...

The dynamics and structure of water at hydrophobic and hydrophilic diamond surfaces is examined via non-equilibrium Molecular Dynamics simulations. For hydrophobic surfaces under shearing conditions, the general hydrodynamic boundary condition involves a finite surface slip. The value of the slip length depends sensitively on the surface water interaction strength and the surface roughness; heu...

Surfaces with controllable topography and chemistry were prepared to act as substrates for protein crystallization, in order to investigate the influence of these surface properties on the protein crystallization outcome. Three different methods were investigated to deposit 1,3,5-tris(10-carboxydecyloxy)benzene (TCDB) on a muscovite mica substrate to find the best route for controlled topograph...

The MesoDyn method is used to investigate associative structures in aqueous solution of a nonionic triblock copolymer consisting of poly(propylene oxide) capped on both ends with poly(ethylene oxide) chains. The effect of adsorbing (hydrophobic) and nonadsorbing (hydrophilic) solid surfaces in contact with aqueous solutions of the polymer is elucidated. The macromolecules form self-assembled st...

We present a capillary flow system for liquid transport in microsystems. Our simple microfluidic system consists of two planar parallel surfaces, separated by spacers. One of the surfaces is entirely hydrophobic, the other mainly hydrophobic, but with hydrophilic pathways defined on it by photolithographic means. By controlling the wetting properties of the surfaces in this manner, the liquid c...

background and objectives: adhesion and colonization are prerequisites for the establishment of bacterial pathogenesis. the biofilm development of pseudomonas aeruginosa was assessed on adhesive surfaces like dialysis membrane, stainless steel, glass and polystyrene. materials and methods: microtiter plate biofilm assay was performed to assess the effect of nutrient medium and growth parameters...