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Mechanisms for Flavin Mediated Oxidation: Hydride or Hydrogen-Atom Transfer?
Flavins are versatile biological cofactors which catalyze proton-coupled electron transfers (PCET) with varying number and coupling of electrons. Flavin mediated oxidation of nicotinamide adenine dinucleotide (NADH) and of succinate, initial redox reactions in cellular respiration, were examined here with multiconfigurational quantum chemical calculations and a simple analysis of the wave-function proposed to quantify electron transfer along the proton reaction coordinate. The mechanism of NADHdoi:10.26434/chemrxiv.13066964 fatcat:blpbeqmwh5ao5cgaekikeaxmye