Computational investigation of hydrogen abstraction from 2-aminoethanol by the 1,5-dideoxyribose-5-yl radical: A model study of a reaction occurring in the active site of ethanolamine ammonia lyase

Chemistry - A European Journal

Volumn 10, Issue 11, 2004, Pages 2781-2788

  Semialjac, Marija ^a   Schwarz, Helmut ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Ab initio calculations; Coenzyme B12; Density functional calculations; Lyases radical reactions

Indexed keywords

ACTIVATION ANALYSIS; ALCOHOLS; CHEMICAL BONDS; ENTHALPY; MATHEMATICAL MODELS; SUBSTRATES;

ACTIVATION BARRIERS; ACTIVATION ENTHALPY; HOMOLYSIS; HYDROGEN ABSTRACTION;

HYDROGEN;

1,5 DIDEOXYRIBOS 5 YL RADICAL; 5' DEOXYADENOSINE; AMINO ACID; CARBON; COBAMAMIDE; CYANOCOBALAMIN; DEOXYADENOSINE DERIVATIVE; DEUTERIUM; ETHANOLAMINE; ETHANOLAMINE AMMONIA LYASE; HYDROGEN; LYASE; PROTON; RADICAL; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CATALYSIS; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; ENTHALPY; ENZYME ACTIVE SITE; MODEL;

CATALYSIS; COMPUTER SIMULATION; DEOXYRIBOSE; ETHANOLAMINE; ETHANOLAMINE AMMONIA-LYASE; FREE RADICALS; HYDROGEN; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION;

EID: 3042536077     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200305773     Document Type: Article

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