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Mapping of the highest occupied molecular orbital of a DNA–RNA hybrid by cobalt–benzoyl peroxide oxidation

✍ Scribed by Takashi Nakamura; Isao Saito


Book ID
104210931
Publisher
Elsevier Science
Year
2000
Tongue
French
Weight
122 KB
Volume
41
Category
Article
ISSN
0040-4039

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✦ Synopsis


Ab initio calculations of the highest occupied molecular orbital (HOMO) of the guanine (G)-containing sequences with DNA-RNA hybrid geometry were performed at the HF 6-31G* level. Sequence dependent guanine oxidation with Co(II) and benzoyl peroxide (BPO) has been observed for a DNA-RNA hybrid as revealed by PAGE analysis of the reaction mixture after hot piperidine treatment. The DNA cleavage of 5%-GGG-3% sequence was consistent with the selectivity predicted from calculated HOMOs of 5%-GGG-3% sequence.