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Effect of Ni(II) Binding on the Tautomerism of Guanine: A Quantum-Chemical NDDO Investigation Научная публикация

Журнал Journal of Molecular Structure: THEOCHEM
ISSN: 0166-1280
Вых. Данные Год: 1993, Том: 285, Номер: 1, Страницы: 129-136 Страниц : 8 DOI: 10.1016/0166-1280(93)87026-A
Ключевые слова NUCLEIC-ACID BASES; SCF-MO METHOD; 9-METHYLGUANINE; EQUILIBRIA; COMPLEXES; MOLECULES; ABINITIO; MODEL
Авторы Zilberberg I.L. 1 , Zhidomirov G.M. 1 , Skuratovskii I.Y. 2
Организации
1 Institute of Catalysis, 630090 Novosibirsk, Russian Federation
2 Institute of Molecular Genetics, Kurchatov sq. 46, 123182 Moscow, Russian Federation

Реферат: 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.
Библиографическая ссылка: Zilberberg I.L. , Zhidomirov G.M. , Skuratovskii I.Y.
Effect of Ni(II) Binding on the Tautomerism of Guanine: A Quantum-Chemical NDDO Investigation
Journal of Molecular Structure: THEOCHEM. 1993. V.285. N1. P.129-136. DOI: 10.1016/0166-1280(93)87026-A WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
Поступила в редакцию: 25 мая 1992 г.
Принята к публикации: 10 янв. 1993 г.
Опубликована в печати: 1 сент. 1993 г.
Опубликована online: 26 нояб. 2001 г.
Идентификаторы БД:
Web of science: WOS:A1993MB74000013
Scopus: 2-s2.0-5844358686
РИНЦ: 41742172
Chemical Abstracts: 1994:443150
Chemical Abstracts (print): 121:43150
OpenAlex: W2013140590
Цитирование в БД:
БД Цитирований
Web of science 1
Scopus 5
РИНЦ 5
OpenAlex 6
Альметрики: