Role of Radical Cations in Aromatic Hydrocarbon Carcinogenesis
نویسندگان
چکیده
منابع مشابه
Role of radical cations in aromatic hydrocarbon carcinogenesis.
Carcinogenic activation of polycyclic aromatic hydrocarbons (PAH) involves two main pathways: one-electron oxidation and monooxygenation. One-electron oxidation produces PAH radical cations, which can react with cellular nucleophiles. Results from biochemical and biological experiments indicate that only PAH with ionization potentials below ca. 7.35 eV can be metabolically activated by one-elec...
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Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects on the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representative...
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The gas-phase infrared spectra of four polycyclic aromatic hydrocarbon (PAH) cations have been recorded in the 10–50μm (or 1000–200 cm−1) spectral range via IR multiple photon dissociation (IRMPD) spectroscopy. Ionized PAHs are formed by UV laser ionization in an effusive beam and subsequently irradiated with a single pulse of narrowband tunable infrared light produced by the Free-Electron Lase...
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The electron impact-induced fragmentation of 2,2-dimethyland 2-ethyI-l,findandione, 1 and 2, and their isomers, 3-isopropylideneand 3-propylidenephthalide, 3 and 4, respectively, was studied in detail by mass-analysed ion kinetic energy (MIKE) and collision-induced dissociation (CID-MIKE) spectrometry, including 'H and I3Clabelled analogues of 1 and 2. In all regimes of internal energy, the mol...
متن کاملHomoconjugation in Radical Cations
Recent studies of nuclear spin polarization effects in cyclopropane derivatives have provided considerable information on the structure as well as the spin and charge density distributions in this class of radical ca,tions. In the present work we report an extension of the frontier MO/perturbation MO theory of homoconjugation to include such species in an attempt to rationalize further the expe...
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ژورنال
عنوان ژورنال: Environmental Health Perspectives
سال: 1985
ISSN: 0091-6765
DOI: 10.2307/3430000