for the first time lactic acid was applied as an efficient and green catalyst for the one-pot three-component synthesis of amidoalkyl naphthols via the condensation between arylaldehydes, 2-naphthol and amides or urea under thermal solvent-free conditions in good to excellent yields. we have demonestrated a mild and efficient eco-friendly tandem synthesis of amidoalkyl naphthols using lactic ac...

a practical and green method for the synthesis of 5h-dibenzo[b,i]xanthene-tetraones and spiro[dibenzo[b,i]xanthene-13,3'-indoline]-pentaones by the condensation of 2-hydroxynaphthalene-1,4-dione with aldehydes or isatins, respectively, in the presence of a catalytic amount of cellulose sulfuric acid (csa) under solvent-free conditions at 100 °c is described. the significant features of this pro...

Although the nature of solvent-protein interactions is generally weak and non-specific, addition of cosolvents such as denaturants and osmolytes strengthens protein-protein interactions for some proteins, whereas it weakens protein-protein interactions for others. This is exemplified by the puzzling observation that addition of glycerol oppositely affects the association constants of two antibo...

Implicit solvent hydration free energy models are an important component of most modern computational methods aimed at protein structure prediction, binding affinity prediction, and modeling of conformational equilibria. The nonpolar component of the hydration free energy, consisting of a repulsive cavity term and an attractive van der Waals solute-solvent interaction term, is often modeled usi...

Three implicit solvent models, namely GBMVII, FACTS, and SCPISM, were evaluated for their abilities to emulate an explicit solvent environment by comparing the simulated conformational ensembles, dynamics, and electrostatic interactions of the Src SH2 domain and the Lyn kinase domain. This assessment in terms of structural features in folded proteins expands upon the use of hydration energy as ...

Information resulting from a comprehensive investigation into the intrinsic strengths of hydrated divalent magnesium clusters is useful for elucidating role aqueous solvents on Mg2+ ion, which can be related to those in bulk solution. However, Mg–O and intermolecular hydrogen bond interactions ion have yet quantitatively measured. In this work, we investigated set 17 by means local vibrational ...

Changes in the (31)P NMR chemical shift of tri-n-butylphosphine oxide have been measured as function of solvent composition in a number of binary solvent mixtures. The data were analysed using a model that separates the contributions of specific H-bond interactions with the first solvation shell and the non-specific effects of the bulk solvent on the chemical shift. This allowed measurement of ...

A study was conducted to develop a solvent system that will clean egg yolk samples and concentrate cholesterol oxides effectively before analysis. Cholesterol oxide standards or lipid samples (0.2 g) loaded onto a silicic column were washed with a portion of Solvent I (hexane/diethyl ether, 9:1, vol/vol) and then with Solvent II. Four different Solvent II preparations (Solvent IIa, hexane:ethyl...

DRIFTS, was used to study small organic molecules, with and without functional groups, adsorbed to the surface of γ-alumina and kaolinite clay from a non-polar solvent. Adsorbed water is present on the surface of both minerals and this influences the adsorption of organic molecules from, the non-polar solvent, onto the mineral surface, particularly the interaction of polar functional groups wit...