## Abstract Reactions of peroxynitrite with guanine were investigated using density functional theory (B3LYP) employing 6β31G\*\* and AUGβccβpVDZ basis sets. Single point energy calculations were performed at the MP2/AUGβccβpVDZ level. Genuineness of the calculated transition states (TS) was tested
β¦ LIBER β¦
Peroxynitrite-induced oxidation and nitration products of guanine and 8-oxoguanine: Structures and mechanisms of product formation
β Scribed by Jacquin C. Niles; John S. Wishnok; Steven R. Tannenbaum
- Book ID
- 116790007
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 357 KB
- Volume
- 14
- Category
- Article
- ISSN
- 1089-8603
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## Abstract The reaction between guanine radical cation (G^+Β·^) and carbonate radical anion (CO~3~**^βΒ·^**) producing the mutagenic product 8βoxoguanine that has been observed experimentally was investigated using density functional and secondβorder MΓΈllerβPlesset perturbation (MP2) theories. The s