DFT mechanistic study on the formation of 8-oxoguanine and spiroiminodihydantoin mediated by iron Fenton reactions

The Fenton oxidation mediated by guanine N7-bound iron(ii) leads to the formation of 8-oxoguanine and spiroiminodihydantoin through multiple reaction pathways involving hydroxyl radical and high-valent iron(iv)-oxo species.