Theoretical study of the oxidation of histidine by singlet oxygen

Chemistry - A European Journal

Volumn 18, Issue 27, 2012, Pages 8437-8447

  Méndez Hurtado, Jefferson ^a   Lõpez, Ramõn ^a   Suárez, Dimas ^a   Menéndez, María Isabel ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

ab initio calculations; amino acids; oxidation; reaction mechanisms; solvent effects

Indexed keywords

AB INITIO CALCULATIONS; BI-FUNCTIONAL CATALYSTS; BICYCLIC PRODUCTS; CCSD; CONTINUUM MODEL; DIELS-ALDER ADDITION; ELECTRONIC ENERGIES; ENDOPEROXIDES; EXPERIMENTAL EVIDENCE; EXPLICIT WATER; GASPHASE; HYDROPEROXIDES; OXIDATION REACTIONS; PEPTIDE AGGREGATION; REACTION COORDINATES; REACTION MECHANISM; REACTION PATHS; REACTION STEPS; REACTION STRUCTURES; REACTIVE SYSTEM; SINGLET MOLECULAR OXYGEN; SINGLET OXYGEN; SOLVENT EFFECTS; THEORETICAL CALCULATIONS; THEORETICAL STUDY; TRANSITION STATE;

AMINO ACIDS; CONTINUUM MECHANICS; OXIDATION; OXYGEN; PEPTIDES; QUANTUM CHEMISTRY;

REACTION INTERMEDIATES;

HISTIDINE; IMIDAZOLE DERIVATIVE; SINGLET OXYGEN; WATER;

ARTICLE; CHEMISTRY; OXIDATION REDUCTION REACTION; SOLUTION AND SOLUBILITY; THEORETICAL MODEL;

HISTIDINE; IMIDAZOLES; MODELS, THEORETICAL; OXIDATION-REDUCTION; SINGLET OXYGEN; SOLUTIONS; WATER;

EID: 84862751082     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201103680     Document Type: Article

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