Vanadate is the prosthetic group of vanadium haloperoxidases and fixed in the active site cavity by just one coordinative bond to a histidine residue and embedded in an environment of extensive hydrogen bonds. Density functional theory has been used to investigate the structure of the resting state of the prosthetic group in the enzyme pocket and to elucidate the mechanism of the formation of its peroxo complex. The role of the protein environment

The amount of PEG contained in several commercial matrices was determined by HPLC coupled with mass spectrometry, using the external standard calibration method. The procedure is rapid and easy enough to apply. It allows as well the detection of ethyleneglycol content in the products containing PEG, if required.

The splitting in the electrospray ionization mass spectrometer of several azulen-1-yl diazenes and bis diazenes was analyzed and some general features of fragmentation were evidenced.

Starting from 4-(azulen-1-yl)-pyranylium perchlorates, several azulenyl-substituted phenols as well as nitrobenzene and acetophenone derivatives were synthesized. The products were characterized, and the correlations between the compound structures and NMR spectra were investigated.

Trends and perspectives of the IR/VCD chiroptical technique in configurational and conformational assignment of chiral compounds are illustrated with significant examples from literature reports within 2003-2008 period. The advantages, as well as inherent imitations of VCD as complementary or competing technique to the classical chiroptical methods are underlined.

The synthesis and spectroscopic characterization of a series of three oxidovanadium(V) complexes with 8-hydroxyquinoline and Schiff-base ligands derived from salicylaldehyde and ω-hydroxy-functionalized carbohydrazides with different chain lengths are reported. The complex with the hydrazone ligand containing the shortest chain length was crystallographically characterized. This complex crystallizes in the triclinic space group P with two structurally

The synthesis of a new biazulenyl system, which contains azulene moieties coupled in 1- and 6-position is reported. The structure of the isolated compounds, as well as the calculated dihedral angle between the planes of the coupled moieties, has been correlated with the recorded spectra.

The title compound, [V(C9H6NO2CH3O)O], crystallizes with two independent molecules in the asymmetric unit. The V(V) ion is in a distorted octahedral coordination environment, with the N donors of the two chelating quinolin-8-olate ligands arranged trans to the oxo and methoxy groups.

The Schiff base ligands derived from salicylaldehyde and aliphatic carbonic acid hydrazides react with equimolecular amounts of ammonium metavanadate and 8-hydroxyquinoline in refluxing methanol to yield oxovanadium(v) complexes. The synthesis can alternatively be performed starting from [VO(acac)2] followed by aerial oxidation to form the corresponding oxovanadium(v) complexes. The molecular structures determined by X-ray crystallography feature

The Schiff-base ligand derived from salicylaldehyde and γ-hydroxybutanoic acid hydrazide (H2Salhyhb) reacts with potassium metavanadate and hydrogen peroxide in a water/methanol solution with a pH value of around two to yield the corresponding vanadium(V)oxoperoxo complex [VO(O2)-HSalhyhb(H2O)] (1). Complex 1 crystallizes with one molecule of water as 1·H2O in the monoclinic space group P21/n. For the vanadium atom a pentagonal-bipyramidal coordination