Meylan William M, Howard Philip H
Syracuse Research Corporation, Environmental Science Center, 301 Plainfield Road, Suite 350, Syracuse, New York 13212, USA.
Environ Toxicol Chem. 2003 Aug;22(8):1724-32. doi: 10.1897/01-275.
Organic compounds are chemically transformed in the troposphere by reaction with photochemically generated oxidants that include hydroxyl radicals, nitrate radicals, and ozone. The reaction rates are a measure of atmospheric persistence and are necessary for developing environmental exposure assessments. Since relatively few experimentally measured rate constants are available, environmental risk/exposure assessors must estimate degradation rates. Rates can be predicted through use of quantitative structure-activity relationships (QSARs). QSAR methods are described for estimating reaction rates with hydroxyl radicals, nitrate radicals, and ozone. QSAR accuracy and limitations are also discussed.
