Rapid in situ degradation of chlorinated solvents present as nonaqueous phase liquids (NAPL) can be accomplished using reactive zerovalent nanoiron particles. Prior studies have shown that nanoiron transport in the subsurface is limited, and successful delivery of the nanoiron is essential for effective remediation. Here, the physical properties of bare and modified nanoiron are measured, and l...

CYP51 fulfills an essential requirement for all cells, by catalyzing three sequential mono-oxidations within the cholesterol biosynthesis cascade. Inhibition of fungal CYP51 is used as a therapy for treating fungal infections, whereas inhibition of human CYP51 has been considered as a pharmacological approach to treat dyslipidemia and some forms of cancer. To predict the interaction of inhibito...

At low pressures, the solubility of gases in liquids is governed by Henry's law, which states that the saturated solubility of a gas in a liquid is proportional to the partial pressure of the gas. As the pressure increases, most gases depart from this ideal behavior in a sublinear fashion, leveling off at pressures in the 1- to 5-kbar (0.1 to 0.5 GPa) range with solubilities of less than 1 mole...

Proton transfer (PT) through and across aqueous interfaces is a fundamental process in chemistry and biology. Notwithstanding its importance, it is not generally realized that interfacial PT is quite different from conventional PT in bulk water. Here we show that, in contrast with the behavior of strong nitric acid in aqueous solution, gas-phase HNO(3) does not dissociate upon collision with th...

cGMP-binding cGMP-specific PDE, PDE5 plays a key role in the hydrolysis of cyclic guanidine monophosphate. Because cGMP mediates vascular functions, a PDE5 inhibitor that elevates cGMP level is an attractive means for vasodilatation and treatment of erectile dysfunction. In this paper we report the elucidation of the common pharmacophore hypothesis of different classes of PDE5 inhibitors. Using...

We present results from all-atom molecular dynamics simulations of large-scale hydrophobic plates solvated in NaCl and NaI salt solutions. As observed in studies of ions at the air-water interface, the density of iodide near the water-plate interface is significantly enhanced relative to chloride and in the bulk. This allows for the partial hydration of iodide while chloride remains more fully ...

Hydrophobic interaction chromatography (HIC) is presented as a suitable method to determine the surface hydrophobicity of colloidal drug carriers. The experimental design is described in great detail Results obtained with surface-modified polystyrene particles as model carriers and parenteral fat emulsions are discussed as examples. HIC was able to distinguish between particles chemically modif...

The object of research is the hydrophobization a coating based on styrene-acrylic copolymer and cellulose acetate butyrate with pyrogenic silicon dioxide. hydrophobicity or hydrophilicity surface depends mainly chemical structure its roughness. A relief hydrophilic will be wetted much more easily than flat same material, vice versa – an increase in roughness hydrophobe accompanied by pronounced...

The poly(vinylidene fluoride) (PVDF) nanofiber materials have attracted attention due to their enhanced and exceptional nanostructural characteristics. Electrospinning PVDF based is one of the important new for rapidly growing technology development such as conductive tissue engineering, scaffold materials, filters medical textiles applications. At these areas risk microbial contamination very ...