Mechanistic aspects regarding the elimination of H2O2 from C(4a)-hydroperoxyflavin. the role of a proton shuttle required for H 2O2 elimination

Journal of Organic Chemistry

Volumn 78, Issue 17, 2013, Pages 8585-8593

  Bach, Robert D ^a   Mattevi, Andrea ^b  

^a UNIVERSITY OF DELAWARE   (United States)

^b UNIVERSITY OF PAVIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; DFT CALCULATION; FREE ENERGY OF ACTIVATIONS; LOCAL ENVIRONMENTS; MECHANISTIC ASPECTS; NEW MECHANISMS; POSITIVELY CHARGED; WATER MOLECULE;

HYDROGEN BONDS;

OXYGEN;

AMIDE; AMINE; C(4A) HYDROPEROXYFLAVIN; FLAVOPROTEIN; HYDROGEN PEROXIDE; SERINE; THREONINE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; ELIMINATION REACTION; ENZYME STABILITY; ENZYME STRUCTURE; HYDROGEN BOND; MOLECULAR STABILITY; PROTON TRANSPORT;

FLAVINS; HYDROGEN PEROXIDE; MOLECULAR STRUCTURE; PROTONS; QUANTUM THEORY;

EID: 84883802943     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo401274u     Document Type: Article

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