Effect of Ni(II) binding on the tautomerism ofguanine: a quantum-chemical NDDO investigationстатья
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Дата последнего поиска статьи во внешних источниках: 27 мая 2015 г.
Авторы:
Zilberberg I.L. ,
Zhidomirov G.M. ,
Skuratovskii I.Ya
Журнал:
Journal of Molecular Structure
Том:
285
Номер:
1
Год издания:
1993
Издательство:
Elsevier BV
Местоположение издательства:
Netherlands
Первая страница:
129
Последняя страница:
136
DOI:
10.1016/0166-1280(93)87026-A
Аннотация:
Using the semiempirical quantum-chemical method NDDO/MC calculations were carried out on some aqua and ammine Ni(II) complexes with the guanine nucleic base. The results obtained suggest that the greatest influence of the transition metal is on the keto-enol tautomerism of guanine. The effect on the tautomerism is shown to be connected with a charge transfer from guanine to form a coordinative bond with Ni(II). In the octahedral Ni(II)-guanine complex the charge transfer from the heterocycle is small and such a complex stabilizes the keto form. Conversely, the planar complex facilitates greater charge transfer and leads to stabilization of the enol tautomer. © 1993.
Добавил в систему:
Жидомиров Георгий Михайлович