Two decades ago, theoretical model calculations played a truly minor role in understanding
mechanisms of redox-active metalloenzymes. The methods available to treat transition …

Chemical approaches toward the bioinorganic chemistry of molybdenum and tungsten
enzymes had been either biomimetic (structural modeling) or bioinspired (functional …

Methyltrioxorhenium and perrhennate salts catalyze the deoxydehydration (DODH) of
glycols by sulfite, producing olefins regiospecifically. The scope and efficiency of these …

Molybdenum (VI) complexes of the general type Mo VI (L) 2 (E) O (L= 2-(arylsingle
bondNdouble bondCH)-pyrrolylato, E= O, N t Bu) and their relevance as bioinspired …

The mechanism of oxidation of N-heterocycle phthalazine to phthalazin-1 (2 H)-one and its
associated free energy profile, catalyzed by human aldehyde oxidase (hAOX1), was studied …

In recent years, advances in theoretical methods and computational capabilities have made
it possible to investigate reaction mechanisms in enzymes. Density functional theory (DFT) is …

The mechanism of the MeReO3-catalyzed deoxydehydration of glycols to olefins by sulfite
salts has been investigated with density functional theory (DFT) calculations. Potential …

Sulfite oxidase is a mononuclear molybdenum enzyme that oxidises sulfite to sulfate in
many organisms, including man. Three different reaction mechanisms have been …

This chapter lies in an overview about the natural and artificial molybdenum and tungsten
centers with dithiolene coordination or with ligands related to dithiolenes and the not always …

Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus is a tungsten-dependent
enzyme that catalyzes the oxidation of formaldehyde to formic acid. In the present study …