DFT mechanistic study on the formation of 8-oxoguanine and spiroiminodihydantoin mediated by iron Fenton reactions
Author:
Affiliation:
1. Department of Medicinal and Applied Chemistry
2. Kaohsiung Medical University
3. Kaohsiung 80708
4. Taiwan
Abstract
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.
Funder
Ministry of Science and Technology, Taiwan
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/DT/D1DT01508G
Reference55 articles.
1. pH-induced mechanistic changeover from hydroxyl radicals to iron(iv) in the Fenton reaction
2. A computational study of the Fenton reaction in different pH ranges
3. EPR spin-trapping study on the oxidizing species formed in the reaction of the ferrous ion with hydrogen peroxide
4. Importance of Iron Complexation for Fenton-Mediated Hydroxyl Radical Production at Circumneutral pH
5. Why the Reactive Oxygen Species of the Fenton Reaction Switches from Oxoiron(IV) Species to Hydroxyl Radical in Phosphate Buffer Solutions? A Computational Rationale
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