The objective of this study is to develop a rapid, in situ screening method for the detection of pharmaceutical and personal care products (PPCP) compounds in natural water samples. Three-dimensional excitation emission (EEM) spectra provide a fluorescence 'fingerprint' of a water sample.  Chemometric techniques, such as parallel factor analysis (PARAFAC), can be used to deconvolute datasets of such spectra and extract chemically relevant information in the presence of a complex background signal.  Herein, we utilize the above-mentioned techniques to identify and quantify PPCP contaminants in surface water samples. Calibration models of both individual contaminants and mixtures have been constructed to predict PPCP concentrations in spiked environmental samples.  17a ethinyl-estradiol, bisphenol A and triclosan have been quantified at environmentally relevant concentrations using this fluorescence spectroscopic method. The overall goal of this research is to use fluorescence EEMs combined with chemometric analysis to detect pollutants in natural waters.

PARAFAC modeling of PPCPs in water

244th National Meeting (2012)

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