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Sunscreen Agents in the Environment: Determination by HPLC-ESI-MS/MS and GC-MS and Calculation of Phototoxicity
Citation:
ROSAL, C. G. AND L. D. BETOWSKI. Sunscreen Agents in the Environment: Determination by HPLC-ESI-MS/MS and GC-MS and Calculation of Phototoxicity. Presented at Western Regional Conference of the American Chemical Society, Las Vegas, NV, September 24, 2008.
Impact/Purpose:
Presentation
Description:
Ultraviolet (UV) filters, also known as sunscreen agents, are chemicals widely used in cosmetics, sunscreens, and plastics to block UV radiation from the sun. There have been studies that show some sunscreen agents demonstrate estrogenicity and multiple hormonal activities in vitro. Because of the high consumption volume and lipophilicity of sunscreens, these compounds have the potential to enter and persist in the environment and bioaccumulate in tissues of living organisms. Sunscreen products enter the environment through domestic sewage from bathing, showering, and swimming. The EPA is interested in these products as a class of emerging contaminants, namely Pharmaceutical and Personal Care Products (PPCP). GC-MS and LC-MS/MS methods were developed to monitor the presence of sunscreen agents in wastewater treatment plant effluent and other environmental compartments. Human and ecological health issues will drive the monitoring of certain compounds. To determine any phototoxicity risk that these compounds may pose, a computational method was proposed. Theoretical methods for predicting phototoxicity used triplet state calculations using the configuration interaction-singles method (CIS). All calculations were performed with the Gaussian 03 set of programs.