Analysis of the metabolic transformation of heterocyclic amines by molecular orbital calculations

Polycyclic Aromatic Compounds

Volumn 24, Issue 4-5, 2004, Pages 375-384

  Ohshima, Shigeru ^a   Onozato, Mayu ^a   Ohtsuki, Takayuki ^a  

^a TOHO UNIVERSITY   (Japan)

Author keywords

Heterocyclic amines; Molecular orbital calculation; Mutagenicity; Nitrenium ion

Indexed keywords

AMINES; MOLECULAR ORBITALS; ORBITAL CALCULATIONS; POSITIVE IONS;

BINDING REACTIONS; GUANINE; HETEROCYCLIC AMINES; METABOLIC TRANSFORMATIONS; MOLECULAR ORBITAL CALCULATIONS; MUTAGENIC ACTIVITY; MUTAGENICITY; NITRENIUM IONS; PRODUCTION RATES; STRUCTURE-ACTIVITY CORRELATIONS;

ACTIVATION ENERGY;

DNA; GUANINE; HETEROCYCLIC AMINE; ION;

BINDING AFFINITY; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL REACTION; CONFERENCE PAPER; CORRELATION ANALYSIS; ENERGY; METABOLISM; MOLECULE; MUTAGENICITY; PERFORMANCE; STRUCTURE ACTIVITY RELATION;

EID: 4844230165     PISSN: 10406638     EISSN: None     Source Type: Journal    
DOI: 10.1080/10406630490468595     Document Type: Conference Paper

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