The detailed mechanisms of the hydrolysis of carbonyl sulfide (OCS) by nucleophilic water and hydroxide ion in both the gas phase and bulk water solvent have been investigated using density functional theory. Various reaction channels on the potential surface have been identified. The thermodynamic results demonstrate that the hydrolysis of OCS by nucleophilic water and hydroxide ion should pro...

The central importance of solvent interactions in stabilization of specific protein structure has long been recognized. Decades ago, Tanford and Kirkwood treated in detail the interaction of charges with solvent, and they showed how desolvation/burial of charges upon protein folding was an important factor in stability.1 The influence of their model, with further elaborations, can still be seen...

A solvent-free method was proposed to upgrade the biomass-derived compound 5-hydroxymethylfurfural (HMF). The oxidation of HMF produce 2,5-furandicarboxylic acid (FDCA) has been examined in presence O2 without addition solvent and base. Different from conversion aldehyde group on as initial step H2O solvent, hydroxyl first oxidized FDCA finally generated solvent. role is replenish consumption a...

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A comprehensive model has been developed for calculating the thermal conductivity of aqueous, nonaqueous, and mixed-solvent electrolyte systems ranging from dilute solutions to fused salts or pure solutes. The model consists of a correlation for calculating the thermal conductivity of solvent mixtures and a method for predicting the effect of electrolyte components. The thermal conductivity of ...

The solvent dielectric constant is considered an important factor in determining the redox potential of the heme-containing protein cytochrome c in solution. In this study, we investigate the electrochemical response of cytochrome c in aqueous/organic solvent mixtures (100% aqueous buffer, 30% acetonitrile, 40% dimethyl sulfoxide, and 50% methanol), reporting the redox potential (E degrees'), e...

The effect of the addition of ethylene glycol (EG) on the interfacial adsorption and micellar properties of the alkylglucoside surfactant n-octyl-β-D-thioglucopyranoside (OTG) has been investigated. Critical micelle concentrations (cmc) upon EG addition were obtained by both surface tension measurements and the pyrene 1:3 ratio method. A systematic increase in the cmc induced by the presence of...