N-NITROSAMINES - THE CHALLENGE AND THEORETICAL PRACTICAL APPROACH TO SOLVE THE PROBLEM

Compiling toxicological facts from animal testings for numerous N-nitr osamines together with formally derived carbocations or carbenium-ions results in a clear view on these metabolites from N-nitrosamines whet her or not they can initiate carcinogenesis in animal organisms. The w idely accepted metabolism of N-nitrosamines to carbenium-ions is also demonstrated. However, to understand the carcinogenic potential of one carbenium-ion and the inability of others we calculated the heat of f ormation (Delta H-ct) for carbenium-ions from easily available thermod ynamical data. The calculation of energies of formation (Delta E(ct)) is demonstrated, hypothesis on carcinogenicity/non-carcinogenicity are formulated. Products and compounds are demonstrated.