DFT Computational Study of the Methanolytic Cleavage of DNA and RNA Phosphodiester Models Promoted by the Dinuclear Zn Complex of 1,3-Bis(1,5,9-triazacyclododec-1-yl)propane.

A density functional theory study of the cleavage of a DNA model [p-nitrophenyl methyl phosphate (2)] and two RNA models [p-nitrophenyl 2-hydroxypropyl phosphate (3) and phenyl 2-hydroxypropyl phosphate (4)] promoted by the dinuclear Zn complex of 1,3-bis(1,5,9-triazacyclododec-1-yl)propane formulat...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 135; no. 45; pp. 17209 - 17223
Main Authors:	Maxwell, Christopher I., Mosey, Nicholas J., Stan Brown, R.
Format:	Article
Published:	American Chemical Society 11/13/2013
Subjects:	Scission (Chemistry) Phosphodiesters Density functional theory DNA models Free energy (Thermodynamics) Lewis acids Transesterification Hydrogen bonding
Online Access:	View this record in EBSCOhost