engleski

Theoretical Studies of Coenzyme B12-Dependent Reactions: What Can Small Models Tell Us?

Coenzyme B12 is one of nature’ s most remarkable cofactors. It is involved in the catalysis of a wide variety of reactions essential for life in both prokaryotic and eukaryotic organisms. Without exception, the mechanisms of these reactions involve highly reactive organic free radicals. For this reason, the reactions, and particularly the relevant intermediates, are difficult to study experimentally. It is precisely in such a situation where a theoretical approach can provide important complimentary information. In this contribution, selected results of such investigations, obtained using small model systems, will be presented. Emphasis will be placed on the important link between radical stability and observability, particularly with respect to the link to electron spin resonance spectroscopy.

Vitamin B12; ab initio; ESR

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