DNA中的自由基阳离子态是否在GG和GGG空穴陷阱上离域？
Are radical cation states delocalized over GG and GGG hole traps in DNA?
作者信息
Voityuk Alexander A
机构信息
Institució Catalana de Recerca i Estudis Avançats, Institute of Computational Chemistry, Universitat de Girona, 17071 Girona, Spain.
出版信息
J Phys Chem B. 2005 Jun 2;109(21):10793-6. doi: 10.1021/jp050985c.
Recently, Kurnikov et al. (J. Phys. Chem. B 2002, 106, 7) have shown that solvation of DNA duplexes destabilizes holes of sizes larger than three base pairs. In this paper, we consider the effects of solvation and internal reorganization on the hole charge distribution in sequences 5'-X-GG-Y-3'. Radical cation states in DNA are found to be localized to a single guanine site independent of the nature of adjacent base pairs.
最近，库尔尼科夫等人（《物理化学杂志B》2002年，第106卷，第7期）表明，DNA双链体的溶剂化作用会使大于三个碱基对大小的空洞变得不稳定。在本文中，我们考虑了溶剂化和内部重组对序列5'-X-GG-Y-3'中空洞电荷分布的影响。发现DNA中的自由基阳离子态定位于单个鸟嘌呤位点，与相邻碱基对的性质无关。
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