We study by molecular dynamics simulations the wetting/dewetting transition and the dependence of the free energy on distance between plates that contain both hydrophobic and hydrophilic particles. We show that dewetting and strength of hydrophobic interaction is very sensitive to the distribution of hydrophobic and hydrophilic domains. In particular, we find that plates characterized by a larg...

Hydrophobic interactions normally are not considered a major driving force for self-assembling in a hydrophobic environment. When macrocyclic oligocholates were placed within lipid membranes, however, the macrocycles pulled water molecules from the aqueous phase into their hydrophilic internal cavities. These water molecules had strong tendencies to aggregate in a hydrophobic environment and te...

Water conformation around hydrophobic side chains of four amino acids (glycine, L-alanine, L-aminobutyric acid, and L-norvaline) was investigated via changes in complex dielectric constant in the terahertz (THz) region. Each of these amino acids has the same hydrophilic backbone, with successive additions of hydrophobic straight methylene groups (-CH2-) to the side chain. Changes in the degree ...

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 ...

We calculate the ion distributions around an interface in fluid mixtures of highly polar and less polar fluids (water and oil) for two and three ion species. We take into account the solvation and image interactions between ions and solvent. We show that hydrophilic and hydrophobic ions tend to undergo a microphase separation at an interface, giving rise to an enlarged electric double layer. We...

the purpose of this review article is to characterize all of the parameters regarding the types, polymers used, and release kinetics of matrix tablets. matrix system was the earliest oral extended release platform for medicinal use. matrix tablets are most commonly used methods to modulate the release profile of drugs. they are much desirable and preferred for such therapy because they offer be...

conclusions: these data demonstrated that the attachment of bacteria to hydrophilic acrylic iols was more than hydrophobic pmma ones independent of the brand. according to these results the bacterial strain might have more hydrophilic properties. augmenting the biomass of biofilm by passing of time demonstrated the key role of time in biofilm formation on the iol surfaces. the differences betwe...

interpenetrating polymer networks (ipn) were formed involving hydrophobic polybutyl acrylate (pba) and hydrophilic poly hydroxyethyl acrylate (phea). pba prepolymer was first formed in presence of ferric oxide nanoparticles (

The EGFR/ErbB/HER family of kinases contains four homologous receptor tyrosine kinases that are important regulatory elements in key signaling pathways. To elucidate the atomistic mechanisms of dimerization-dependent activation in the ErbB family, we have performed molecular dynamics simulations of the intracellular kinase domains of the four members of the ErbB family (those with known kinase ...

Block copolymer nano-micelles are especially important in cancer treatment because of their fine dimensions. In this article, three systems of amphiphilic copolymers with similar lengths and different ratios of the hydrophobic and hydrophilic chains are studied using implicit-solvent coarse-grained molecular dynamics simulations. The factor fphil is defined as the ratio of the number...