Probe mapping is a common approach for identifying potential binding sites in structure-based drug design; however, it typically relies on energy minimizations of probes in the gas phase and a static protein structure. The mixed-solvent molecular dynamics (MixMD) approach was recently developed to account for full protein flexibility and solvation effects in hot-spot mapping. Our first study us...

Some studies suggest that exposure to industrial solvents can affect blood pressure. The objective of this study was to investigate the effect of a mixture of organic solvents on blood pressure in women working in a pharmaceutical company in Iran. Four hundred and thirty-three women were included in the study. Women working in packing units (group 1) were not exposed to the mixture of organic s...

The efficiency of solvent adsorption using Permea-Tec general solvent pads, used for the detection of chemical breakthrough of protective clothing, was determined for methanol, acetone, ethyl methyl ketone, trichloroethylene (TriCE), tetrachloroethylene (TetCE), toluene, m-xylene, and D-limonene. Known volumes of single or mixed solvents were added to pads in the range 0.2-5.0 microliters (0.16...

Direct benzoylation of the two hydroxyl groups on chitosan was achieved using a phosphoryl mixed anhydride system, derived from trifluoroacetic anhydride (TFAA), benzoic acids (BAs), and phosphoric acid (PA). The reaction is operated as a one pot process under mild conditions that does not require neither an inert atmosphere nor dry solvents. The structures of the synthesized compounds were con...

Amphiphilic compounds dissolved in nonpolar organic solvents form inverted micelles whose aqueous centers can solubilize relatively large amounts of enzymes. The solutions are homogeneous and optically transparent and have low viscosity and freezing points; they provide unique and favorable systems to perform the main cryoenzymologic studies previously carried out in mixed solvents. The prepara...

Submit Manuscript | http://medcraveonline.com it can replace toluene where slower drying is desired. It is also a powerful cleaning agent, e.g., for silicon wafers, circuits and steel [1,2]. Toxicity of xylene in lung, thymus, liver and skin has been reported [3,4]. The nephrotoxicity of xylene has not been well documented. Cortical tubular epithelial cells are a vulnerable site of organic solv...

The effect of organic solvents on the phosphorylation of the Ca2+-dependent ATPase of sarcoplasmic reticulum by inorganic phosphate in the absence of a calcium gradient was investigated. Kinetic analysis of the reaction in water and water-organic solvent media according to a bireactant scheme shows no correlation between changes in kinetic parameters and the dielectric constant of the mixed sol...

We compare the fluorescence properties of bisbenzimide (also known as Hoechst 33258) bound to the minor groove of the poly[d(AT)].poly[d(AT)] duplex with the corresponding fluorescence properties of bisbenzimide dissolved in neat organic solvents and mixed organic/aqueous solvents. Based on these comparisons, we conclude that the minor groove of the bisbenzimide-poly[d(AT)].poly[d(AT)] complex ...

Textured polyester multifilament yam was subjected to swelling in single and mixed solvents (with varying ratio) at room temperature for different durations. The changes in the structure and properties of the yam were investigated by measuring birefringence, crystallinity, critical dissolution time, shrinkage on treatment, % change in bulk, residual shrinkage, crimp rigidity, dye uptake and dye...

Mikulski, P. I., Wiglusz, Renata, Bublewska, Anna, and Uselis, J. (1972). Brit. J. industr. Med., 29, 450-453. Investigation of exposure of ships' painters to organic solvents. An analysis was carried out of the hazard to ships' painters working at different concentrations of toluene and xylene vapours in air. The authors point out that it is possible to use a joint determination of hippuric an...