Aza-polycyclic aromatic hydrocarbons

Quantum Chemical Studies of Carbocations from Oxidized Metabolites of Aza-Polycyclic Aromatic Hydrocarbons... 

Saeki, K.-I., Matsuda, T., Kato, T.-A., Yamada, K., Mizutani, T., Matsui, S., Fukuhara, K. and Miyata, N. (2003) Activation of the human Ah receptor by aza-polycyclic aromatic hydrocarbons and their halogenated derivatives. Biological el Pharmaceutical Bulletin, 26, 448—452. 

TABLE 2. Major aza-polycyclic aromatic hydrocarbons (PAH) and heterocyclic aromatic amines (HAA) found in cooked meat products and polluted environments... 

Borosky and Laali have employed solvation, protonation and ring current effects in their study of aza-polycyclic aromatic hydrocarbons. In the work of Faska et theoretical solvent effects have been successfully fitted into a parametrized equation that incorporates a solvent dipolarity scale. Lastly, Benzi et provide a brief survey of current tools and strategies employed in calculating NMR chemical shifts for molecules in solution. 

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