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.
G. Schürer, Chem. Commun., 1998, 257 DOI: 10.1039/A707780G
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