Dinuclear Zn(II) Complex Catalyzed Phosphodiester Cleavage Proceeds via a Concerted Mechanism: A Density Functional Theory Study.

Density functional theory (DFT) calculations were used to study the mechanism for the cleavage reaction of the RNA analogue HpPNP (HpPNP = 2-hydroxypropyl-4-nitrophenyl phosphate) catalyzed by the dinuclear Zn(II) complex of 1,3-bis(1,4,7-triazacyclonon-1-yl)-2-hydroxypropane (Zn(LO)). We present a...

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Publicado en:	Journal of the American Chemical Society Vol. 133; no. 9; pp. 2904 - 2916
Autores principales:	Hui Gao, Zhuofeng Ke, DeYonker, Nathan J., Juping Wang, Huiying Xu, Zong-Wan Mao, Lee Phillips, David, Cunyuan Zhao
Formato:	Artículo
Publicado:	American Chemical Society 3/9/2011
Materias:	Zinc Catalysis Density functionals Nucleic acids Electronic structure Reaction mechanisms (Chemistry) Solution (Chemistry)
Acceso en línea:	Ver este registro en EBSCOhost