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DOI: 10.1039/A707780G (Paper) Reference Section for: Chem. Commun., 1998, 257-258

Is the calcium-ion catalysis of biological reoxidation of reduced PQQ purely electrostatic?†

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Gudrun Schürer

Abstract

Semiempirical (PM3) molecular orbital calculations on the mechanism of reoxidation of PQQ by triplet dioxygen suggest that the reaction can proceed purely by hydrogen-atom-transfer steps that are catalysed by the electrostatic effect of a coordinated calcium ion, rather than by an electron-transfer mechanism.

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