the oxidative coupling of methane (ocm) over m-na-mn/sio2 catalysts (m=w, cr, nb and v) was investigated using a continuous-flow quartz reactor at 775°c, 1 atm and 100 cm3min-1 gas flow rates, and correlated with the observed structure and redox properties.the interaction effects of the metal-metal and metal-support on the methane conversion and c2+ yield were investigated using x-ray diffracti...

The rapid accumulation of gene sequences, many of which are hypothetical proteins with unknown function, has stimulated the development of accurate computational tools for protein function prediction with evolution/structure-based approaches showing considerable promise. In this article, we present FINDSITE-metal, a new threading-based method designed specifically to detect metal-binding sites ...

Metal–metal singly bonded [Rh2(CO)4(acac)2][OTf]2 (1) has been synthesized and characterized by spectroscopic and analytical techniques. A density functional theory (DFT) optimized structure has been computed for the unbridged centro-symmetric structure. Reaction of 1 with PIN.HBr results in the [Rh(PIN)2(H2O)Br][OTf]2 (2) in high yield. The reaction involves metal-oxidation from RhII to RhIII ...

The function of an RNA molecule is determined by its overall secondary and tertiary structure. The tertiary structure is facilitated and stabilized by the interaction with metal ions. The current chapter offers a detailed protocol on the use of the lanthanide metal ion terbium(III) as a powerful probe of RNA structure and metal-binding properties. When incubating RNA with low (micromolar) conce...

A series of hybrid quantum mechanical/molecular mechanical (QM/MM) calculations was performed on models of a DNA duplex with artificial silver(I)-mediated imidazole base pairs. The optimized structures were compared to the original experimental NMR structure (Nat. Chem. 2 (2010) 229-234). The metal⋯metal distances are significantly shorter (~0.5Å) in the QM/MM model than in the original NMR str...