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A [FeIIFeII] dithiolate complex containing acyl and carbonyl ligands was synthesized. The diiron complex reacted with phosphine, cyanide, isocyanide, and CO to give monomeric FeII complexes reproducing the first coordination sphere of the active site of [F ...
Metal complexes bearing phosphine ligands are attracting increasing attention for their applications in medicinal chem. In particular, organometallic ruthenium-phosphine complexes have been found to exhibit promising antitumor activity. The synthesis, anti ...
Protonation of norbom-5-en-2-one gives 6-oxo-2-norbomyl cation (2) as most stable C7H9O+ cation. Quantum calculations at B3LYP/6-31G(d) level (gas phase, 1 atm, 25 degrees C) predict a C-s-structure for 2 that can be represented as an intramolecular pi-com ...
There are only few structural thermodynamic and kinetic studies on labile octahedral complexes available today. Octahedral paramagnetic compounds of cobalt(II) have an optimum electronic relaxation leading to NMR spectra with good resolution. Therefore, th ...
Since many biological processes occur on the μs to ms time scale, internal dynamics on that time scale may well be related to biological functionality. The characterization of internal dynamics is thus an important issue to improve our understanding of the ...
The electronic structure of the selectivity filter of KcsA K(+) channel is investigated by density functional theory (DFT/BLYP) and QM/MM methods. The quantum part includes the selectivity filter, which is polarized by the electrostatic field of the enviro ...
A new target in AIDS therapy development is HIV-1 integrase (IN). It was proven that HIV-1 IN required divalent metal cations to achieve phosphodiester bond cleavage of DNA. Accordingly, all newly investigated potent IN inhibitors contain chemical fragment ...
Direct reaction between [Cr(CO)6] and arenes with ionic substituents affords the corresponding arene-chromium tricarbonyl complexes, [Cr(CO)3(arene)], in only modest yield. In contrast, these complexes can be prepared in pure form in ...
The C2-sym. electron-poor ligand (R)-BINOP-F (4; (R)-2,2'-[bis(pentafluorophenyl)phosphinoxy]-1,1'-binaphthalene) was prepd. by reaction of (R)-BINOL ((R)-1,1'-binaphthalene-2,2'-diol) with bromobis(pentafluorophenyl)phosphine in the presence of NEt3. The ...
