The development and parameterization of a solvent potential of mean force designed to reproduce the hydration thermodynamics of small molecules and macromolecules aimed toward applications in conformation prediction and ligand binding free energy prediction is presented. The model, named SGB/NP, is based on a parameterization of the Surface Generalized Born continuum dielectric electrostatic mo...

Free radical polymerization of ethylene in an intermediate pressure and temperature range (P(ethylene) < 250 bar and 50 °C < T < 90 °C) in the presence of an organic solvent has been studied. Under selected conditions (P, T) and according to the amount of organic solvent added, either a supercritical monophasic or a biphasic medium is obtained. In the case of a biphasic medium, polymerization o...

A porous poly(L-lactic acid)/β-tricalcium phosphate (PLLA/β-TCP) composite scaffold was fabricated using a novel technique comprising powder mixing, compression molding, low-temperature treatment, and particulate leaching without any organic solvent. The effect of this scaffold on osteoblast proliferation and differentiation was evaluated in vitro. The fabricated scaffold had a homogeneously in...

Molybdate sulfuric acid (MSA) has been prepared and used as catalyst for the Biginelli synthesis of some quinazolinones/thiones under solvent-free conditions. The catalyst loading is low and it shows recyclability. This method has advantages such as avoidance of the organic solvents, high yield of pure products, short reaction times and operational simplicity.

Molybdate sulfuric acid (MSA) has been prepared and used as catalyst for the Biginelli synthesis of some quinazolinones/thiones under solvent-free conditions. The catalyst loading is low and it shows recyclability. This method has advantages such as avoidance of the organic solvents, high yield of pure products, short reaction times and operational simplicity.

a simple and green chemical procedure was reported for the synthesis of dihydropyrimidinones from various aldehydes, ethyl acetoacetate and urea or thiourea using  holmium chloride as catalyst. the reactions were performed under solvent free conditions with ultrasound irradiation as the energy source. the advantages of this protocol include the excellent yield, operational simplicity, short tim...

as benzimidazole ring is an important pharmacophore in modern drug discovery and benzimidazoles are very important intermediates in organic reactions, the preparation of benzimidazoles has gained considerable attention in recent years. here, a comparative study on the synthesis of benzimidazoles from aromatic, aliphatic and heterocyclic carboxylic acid, benzonitrile and o-phenylenediamine under...

methoxymethylation of a variety of alcohols was performed using formaldehyde dimethyl acetal in the presence of 1,3-dichloro-5,5-dimethyl hydantoin [dcdmh] and poly n,n′-dibromo-n-ethyl naphthyl-2,7-disulfonamide [pbns] as catalysts at room temperature and under solvent-free conditions. our experiments show that primary and secondary alcohols can be smoothly converted into the corresponding mom...

2-amino-substituted ketones react with α-methylene ketones under solvent-free conditions at 90 °c in thepresence of a catalytic amount of zirconium dodecylphosphonate to create the corresponding quinolinesin excellent yields. this procedure recommends numerous advantages such as easy work-up, use of mild,reusable and safe catalyst, short reaction timeand high yields. the new compounds have been...