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Characterization of the Reaction Path and Transition States for RNA Transphosphorylation Models from Theory and Experiment
Author(s) -
Wong KinYiu,
Gu Hong,
Zhang Shuming,
Piccirilli Joseph A.,
Harris Michael E.,
York Darrin M.
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201104147
Subject(s) - transition state , cleavage (geology) , chemistry , computational chemistry , computer science , organic chemistry , materials science , catalysis , fracture (geology) , composite material
Model behavior : The primary and secondary kinetic isotope effects for a model compound which represents RNA cleavage transesterification were calculated and compared with experimental measurements. Based on the good agreement between theory and experiments, the energy profile, reaction pathway, and two distinct transition states for the reactions of the model compound and two thio‐substituted analogues were characterized (see scheme).