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...

Studies on nucleic acid metabolism often require the analytical separation of nucleic acid derivatives and are facilitated by chromatographic methods which are rapid and convenient. Column chromatography on ion exchange resins (1)) paper chromatography (2)) and paper electrophoresis (3) are among the methods used routinely for such separations. Even though these techniques have been employed wi...

peroxyoxalate system includes an oxalate ester, peroxide and a fluorescer, the energy resulted from the reaction of oxalate ester and peroxide is transferred to fluorescer and cause it to fluorsc. the effect of reactants chemical structure, their concentration, solvent media (polarity and viscosity) and the temperature, on the intensity of the illuminated light with respect to time have been st...

In this research, mercapto-silica coated magnetite (Fe3O4-SiO2-SH) has been prepared in aqueous solution through a simple approach so called a one-pot process. The Fe3O4-SiO2-SH was prepared in nitrogen condition by mixing magnetite, 3-mercaptopropyltrimethoxysilane (MPTMS), and sodium silicate (Na2SiO3) solution extracted from rice hull ash, and adjusting the pH of 7.0 using hydrochloric acid....

We have synthesized poly(methyl methacrylate- b-4-vinylpyridine) (PMMA- b-P4VP) and poly(styrene- r-vinylphenol) (PS- r-PVPh) copolymers by using anionic and free radical polymerizations, respectively. Well-defined micelles through hydrogen bonding have been prepared by mixing PMMA- b-P4VP diblock copolymer and PS- r-PVPh random copolymer in a single solvent. Block copolymers were mixed with ra...

Separation of low boiling gas mixtures is widely concerned in process industries. Now their separations heavily rely upon energy-intensive cryogenic processes. Here, we report a pseudo-absorption process for separating low boiling gas mixtures near normal temperature. In this process, absorption-membrane-adsorption is integrated by suspending suitable porous ZIF material in suitable solvent and...

In this paper we investigate mixing and transport in correspondence of a meandering jet. The large-scale flow field is a kinematically assigned streamfunction. Two basic mixing mechanisms are considered, first separately and then combined together: deterministic chaotic advection, induced by a time dependence of the flow, and turbulent diffusion, described by means of a stochastic model for par...

J Jo ou ur rn na al l o of f E En nv vi ir ro on nm me en nt ta al l a an nd d O Oc cc cu up pa at ti io on na al l S Sc ci ie en nc ce e available at www.scopemed.org Abstract Systemic sclerosis is an important autoimmune disease. Sclerodermatous skin changes and systemic sclerosis have been reported to occur as a result of occupational exposure with several different organic solvents. We desc...

−Deep Eutectic Solvents are promising greener and cheaper alternatives to ionic liquids. The applications involving these solvents depend largely on their physical and chemical properties. However, a DES may possess both desirable and undesirable properties for a certain application. In such situations, mixing two DESs, each possessing a unique set of properties, may yield one with a more suita...