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Cyclopenta-polycyclic aromatic hydrocarbons: potential carcinogens and mutagens
1National Center for Toxicological Research, Jefferson, AR 72079, USA.
Carcinogenesis
|August 1, 1980
Summary
Cyclopenta-polycyclic aromatic hydrocarbons (cyclopenta-PAHs) are environmental pollutants. Their epoxide metabolites may pose a greater biological hazard than classic polycyclic aromatic hydrocarbons (PAHs), according to molecular orbital calculations.
Area of Science:
- Environmental Chemistry
- Toxicology
- Computational Chemistry
Background:
- Cyclopenta-polycyclic aromatic hydrocarbons (cyclopenta-PAHs) are recognized environmental pollutants.
- Their presence in the environment raises concerns regarding potential health risks.
Purpose of the Study:
- To assess the potential biological hazard of cyclopenta-PAH metabolites.
- To compare the predicted hazard of cyclopenta-PAHs with classic PAHs.
Main Methods:
- Utilized perturbation molecular orbital (PMO) calculations.
- Focused on the presumed ultimate carcinogenic metabolites: cyclopenta-PAH expoxides.
Main Results:
- PMO calculations predict significant biological activity for cyclopenta-PAH expoxides.
- The predicted hazard of cyclopenta-PAH expoxides appears greater than that of classic PAHs.
Conclusions:
- Cyclopenta-PAH expoxides represent a potentially significant environmental health concern.
- Further research is warranted to fully understand the toxicological profile of cyclopenta-PAHs.