Effects of the Metal Ion on the Mechanism of Phosphodiester Hydrolysis Catalyzed by Metal-Cyclen Complexes

Effects of the Metal Ion on the Mechanism of Phosphodiester Hydrolysis Catalyzed by Metal-Cyclen Complexes

In this study, mechanisms of phosphodiester hydrolysis catalyzed by six di- and tetravalent metal-cyclen (M-C) complexes (Zn-C, Cu-C, Co-C, Ce-C, Zr-C and Ti-C) have been investigated using DFT calculations. The activities of these complexes were studied using three distinct mechanisms: (1) direct a...

Full description

Bibliographic Details
Main Authors: Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Joshua Zuchniarz, Rajeev Prabhakar
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-04-01
Series:Frontiers in Chemistry
Subjects:
phosphodiester hydrolysis
metal-cyclen complexes
di- and tetravalent metal ions
reaction mechanisms
density functional theory (DFT)
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00195/full

Internet

https://www.frontiersin.org/article/10.3389/fchem.2019.00195/full

Similar Items