title: Relationship between resonance energy per pi-electron and carcinogenicity in arenes.
abstract: The resonance energy per pi-electron of various arenes was calculated using Aihara's TRE theory. There seemed to be a correlation between the resonance energy volume per pi-electron of the cation species (lacking a carbon atom) with the highest approximate superdelocalizability (Sr'(E)) from the parent skeleton and carcinogenicity, i.e. the induction of cancer by arenes (three-ring, four-ring, five-ring, six-ring and seven-ring) seems to be dependent on the resonance energy per pi-electron in they contain).
authors.affiliation: Department of Chemistry, Faculty of Science, Josai University, Saitama, Japan.
authors.forename: T
authors.initials: T
authors.lastname: Kurihara
authors.forename: N
authors.initials: N
authors.lastname: Motohashi
authors.forename: A
authors.initials: A
authors.lastname: Shimizu
authors.forename: G L
authors.initials: GL
authors.lastname: Pang
authors.forename: J
authors.initials: J
authors.lastname: Molnár
mesh_terms: D002273:Carcinogens / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: D002273:Carcinogens; D011084:Polycyclic Aromatic Hydrocarbons