The effect of organic solvent on the structure and dynamics of proteins was investigated by multiple molecular dynamics simulations (1 ns each) of Candida rugosa lipase in water and in carbon tetrachloride. The choice of solvent had only a minor structural effect. For both solvents the open and the closed conformation of the lipase were near to their experimental X-ray structures (C(alpha) rms ...

In this work, two-dimensional WS 2 –polyacrylamide metal–organic frameworks (MOFs) are prepared via an energy-efficient solvent-free frontal polymerization method and further used as a biocompatible, flexible, low threshold high-performance photodetection.

An empirical continuum solvation model, solvation free energy density (SFED), has been developed to calculate solvation free energies of a molecule in the most frequently used solvents. A generalized version of the SFED model, generalized-SFED (G-SFED), is proposed here to calculate molecular solvation free energies in virtually any solvent. G-SFED provides an accurate and fast generalized fram...

High yields of single-crystalline Ge nanowires (NWs) were synthesised in the vapour phase of a high boiling point organic solvent without the need for metal catalyst particles. High density, perpendicular arrays of Ge NWs were subsequently grown from ITO coated substrates. The approach represents a convenient route toward orientated arrays of catalyst-free Ge NWs.

Aqueous H2O2 is an ideal oxidant, when coupled with a tungstate complex and a quaternary ammonium hydrogensulfate as an acidic phase-transfer catalyst. It oxidizes alcohols, olefins, and sulfides under organic solvent- and halide-free conditions in an economically, technically, and environmentally satisfying manner.

An efficient method for the synthesis of chlorinated arenes is disclosed. The method involves the use of NaClO3 as oxidant and HCl as chlorinating agent in aqueous medium under mild conditions to chlorinate the aromatic compounds in good to excellent yields (75-96%). The reagent system is efficient, organic solvent-free and easy to handle.

Hydroxyapatite-supported gold nanoparticles (AuHAP) can act as highly efficient and reusable catalysts for the oxidation of diverse silanes into silanols in water; this is the first catalytic methodology for the selective synthesis of aliphatic silanols using water under organic-solvent-free conditions.

A novel non-metal catalyzed oxidation of organic azides to nitriles under solvent-free conditions is presented employing catalytic amounts of KI, and DABCO in aq. TBHP at room temperature. This non-metal catalyzed oxidation of azides provides good selectivity as double and triple bonds were not oxidized under the present reaction conditions.