A series of cationic binuclear (η(6)-cymene-Ru)2 complexes with N2S2-ligands were synthesized in 64% to 85% yield by reaction of [Ru(η(6)-cymene)Cl2]2 with bis-S,S'-(ortho-aminothiophenol)-xylenes as BF4(-) and PF6(-) salts. The compounds were studied using NMR, HRMS, UV-vis and IR spectroscopy, EA and inductively coupled plasma (ICP) MS. It was determined that the hinged binuclear Ru complexes...

The structural requirements for the inhibitor activity of various furan carboxanilide derivatives against succinate dehydrogenase complex (SDC) activity in mitochondria of either wild or mutant strains of Ustilago maydis were investigated with the aid of Hansch QSAR analysis. It has been found that the inhibitor activity against both types of enzymes is best related to the ??? or ??M of th...

Treatment of the ortho-phenylene diamine C6H4-1,2-{N(H)Tripp}2 (1, PDAH2, Tripp = 2,4,6-triisopropylphenyl) with two equivalents of MR (M = Li, R = Bu(n); M = Na or K, R = CH2C6H5) afforded the dimetallated alkali metal ortho-phenylene diamide dianion complexes [(PDALi2)(THF)3] (2), [{(PDANa2)(THF)2}2] (3), and [{(PDAK2)(THF)3}2] (4). In contrast, treatment of 2 with two equivalents of rubidium...

We present a new four-dimensional (4D) potential energy surface for the HCl-H2 van der Waals system. Both molecules were treated as rigid rotors. Potential energy surface was obtained from electronic structure calculations using a coupled cluster with single, double, and perturbative triple excitations method. The four atoms were described using the augmented correlation-consistent quadruple ze...

As part of ongoing efforts to design improved nerve agent antidotes, two X-ray crystal structures of Torpedo californica acetylcholinesterase (TcAChE) bound to the bis-pyridinium oxime, Ortho-7, or its experimental bis-imidazolium analogue, 2BIM-7, were determined. Bis-oximes contain two oxime groups connected by a hydrophobic linker. One oxime group of Ortho-7 binds at the entrance to the acti...

the structural requirements for the inhibitor activity of various furan carboxanilide derivatives against succinate dehydrogenase complex (sdc) activity in mitochondria of either wild or mutant strains of ustilago maydis were investigated with the aid of hansch qsar analysis. it has been found that the inhibitor activity against both types of enzymes is best related to the ??? or ??m of the sub...

Parity and nuclear spin symmetry are approximate symmetries, which for many primary processes in molecular spectroscopy kinetics lead to almost exact constants of the motion. The symmetric isotopomer dichlorodisulfane 35Cl32S32S35Cl (disulfur dichloride) is chiral with two enantiomers, each has also isomers (ortho para isomers). Electroweak quantum chemistry predicts a small ‘parity violating’ ...