Interdisciplinary study for the elucidation of metalloenzyme reaction mechanism in dioxygen activation and highly efficient molecular catalyst creation

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The O_2 activation/reduction reaction is one of the most important reactions involved in both of life processes and in energy converting systems such as fuel cells. This project is intended to further elucidation of the O_2 activation mechanism of metalloenzymes and creation of highly efficient molecular catalyst for O_2-reduction. Using well designed heme enzyme chemical models, we have successfully captured and fully characterized key intermediates involved in the O_2-activation processes of heme-containing enzymes by various kinds of spectroccopies as well as quantum chemical calculations. These studies have contributed significantly to the understanding of the mechanism of dioxygen activation by heme enzymes and their models. The prepared non-precious-metal catalysts will have prosperous applications as the cathode oxygen reduction reaction (ORR) catalysts in fuel cells.