Dinuclear Zn(II) complex catalyzed phosphodiester cleavage proceeds via a concerted mechanism: A density functional theory study

Journal of the American Chemical Society

Volumn 133, Issue 9, 2011, Pages 2904-2915

  Gao, Hui ^a   Ke, Zhuofeng ^a   Deyonker, Nathan J ^b   Wang, Juping ^a   Xu, Huiying ^a   Mao, Zong Wan ^a   Phillips, David Lee ^c   Zhao, Cunyuan ^a  

^a SUN YAT SEN UNIVERSITY   (China)

^b University of Memphis   (United States)

^c UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; BASE CATALYSIS; BINDING MODES; BOND FORMATION; CLEAVAGE REACTION; CONCERTED MECHANISM; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIANIONS; DINUCLEAR; EXPERIMENTAL OBSERVATION; EXPERIMENTAL VALUES; GROUP COORDINATES; HIGHER-ENERGY BARRIERS; KINETIC ISOTOPE EFFECTS; LEAVING GROUPS; NITROPHENYL PHOSPHATES; NUCLEOPHILIC ATTACK; PHOSPHODIESTERS; PHOSPHORYL OXYGEN; PRESENCE/ABSENCE; RATE DETERMINING STEP; REACTION BARRIERS; STEP TRANSITIONS; WATER MOLECULE; ZINC IONS; ZN COMPLEX;

BINDING ENERGY; CATALYSIS; CATALYSTS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DEPROTONATION; ELECTRONIC STRUCTURE; ISOTOPES; NUCLEOPHILES; OXYGEN; PHOSPHORUS; RNA; ZINC; ZINC COMPOUNDS;

REACTION INTERMEDIATES;

2 HYDROXYPROPYL 4 NITROPHENYL PHOSPHATE; ESTER DERIVATIVE; HYDROXIDE; NUCLEOPHILE; PHENYL GROUP; PHOSPHATE; PHOSPHODIESTERASE; PHOSPHORANE DERIVATIVE; PHOSPHORUS DERIVATIVE; PROPANE; UNCLASSIFIED DRUG; WATER; ZINC COMPLEX;

ARTICLE; CATALYSIS; CATALYST; CHEMICAL BINDING; CHEMICAL REACTION; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; PROTON TRANSPORT; REACTION ANALYSIS;

ALANINE; BINDING SITES; CATALYSIS; HETEROCYCLIC COMPOUNDS, 1-RING; MODELS, MOLECULAR; ORGANOPHOSPHORUS COMPOUNDS; QUANTUM THEORY; RNA; THERMODYNAMICS; ZINC;

EID: 79952270966     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja106456u     Document Type: Article

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110. +.
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