pdbFun (http://pdbfun.uniroma2.it) is a web server for structural and functional analysis of proteins at the residue level. pdbFun gives fast access to the whole Protein Data Bank (PDB) organized as a database of annotated residues. The available data (features) range from solvent exposure to ligand binding ability, location in a protein cavity, secondary structure, residue type, sequence funct...

In this paper, a novel method for the determination of chloroform in drinking water has been described. It is based on liquid-phase microextraction (LPME) and gas chromatography-mass spectrometry (GC-MS). Extraction conditions such as solvent selection, organic solvent dropsize, stirring rate, content of NaCl and extraction time were found to have significant influence on extraction efficiency....

Protein interactions are often accompanied by significant changes in conformation. We have analyzed the relationships between protein structures and the conformational changes they undergo upon binding. Based upon this, we introduce a simple measure, the relative solvent accessible surface area, which can be used to predict the magnitude of binding-induced conformational changes from the struct...

Here we describe a preliminary investigation on the ability of natural keratin to catalyze the nitroaldol (Henry) reaction between aldehydes and nitroalkanes. Both aromatic and heteroaromatic aldehydes bearing strong or moderate electron-withdrawing groups were converted into the corresponding β-nitroalcohol products in both DMSO and in water in the presence of tetrabutylammonium bromide (TBAB)...

The solute-solvent interactions of L-glutamic acid and L-methionine have been studied in 0–60% V/V 1,2-propanediolwater media using the pH-metric method. The protonation constants have been calculated with the computer program MINIQUAD75. Selection of the best fit chemical model of the acid-base equilibria is based on standard deviation in protonation constants and residual analysis using cryst...

High-speed counter-current chromatography methods, combined with solvent partition, were applied to the systematic separation and purification of chemical components from Chinese medicinal herb Polygonum multiflorum extract. The aim of this paper is summing up the rules of solvent system selection for diverse fractions of herbal extract, and establishing the systematic pattern to screen the bio...

The chromatography of five co-administered drugs i.e. paracetamol, ibuprofen, diclofenac sodium, aspirin and ascorbic acid was performed on various reversed phase layers. The surfactant mediated solvent systems were used with various impregnated silica gel H layers for the chromatography of these five drugs. The various experimental conditions were optimized for the selection of optimum concent...

Equipped with excellent hydrocarbon solubility, the lithium hydride surrogate 1-lithium-2-tert-butyl-1,2-dihydropyridine (1tLi) functions as a precatalyst to convert Me2 NH⋅BH3 to [NMe2 BH2 ]2 (89 % conversion) under competitive conditions (2.5 mol %, 60 h, 80 °C, toluene solvent) to that of previously reported LiN(SiMe3 )2 . Sodium and potassium dihydropyridine congeners produce similar high y...

Electrodeposition is a widely used materials-deposition technology with a number of unique features, in particular, the efficient use of starting materials, conformal, and directed coating. The properties of the solvent medium for electrodeposition are critical to the technique's applicability. Supercritical fluids are unique solvents which give a wide range of advantages for chemistry in gener...

Solvent reorganization around the excited state of a chromophore leads to an emission shift to longer wavelengths during the excited-state lifetime. This solvation response is absent in wild-type green fluorescent protein, and this has been attributed to rigidity in the chromophore's environment necessary to exclude nonradiative transitions to the ground state. The fluorescent protein mPlum was...