Theoretical study of the peripheral disulfide bridge substituent effects on the antioxidant properties of naphthyridine diol derivatives.

The effect of a peripheral disulfide bridge substituent on the phenolic O-H bond dissociation energy (BDE) and the ionization potential (IP) of naphthyridine diol has been studied by density functional theory (DFT) calculation. Compared with naphthalene diol, the substituent of a peripheral disulfide bridge group is very efficient in reducing the BDE… CONTINUE READING