Bisphenol A (BPA), triclosan (TCS) and nonylphenol (NP) are endocrine disrupting chemicals. The degradation of these chemicals was investigated using a new oxidant system involving H2O2 activated by iron-tetra-amido macrocyclic ligand (Fe-TAML). Rapid and complete trandformation of these substrates to dimers occurred at catalyst to substrate ratios of 1:1095, 1:863 and 1:568 for BPA, TCS and NP respectively for Fe-TAML/H2O2 ratio of 4 mM/40 nM at pH 10. Computational modelling based on the density functional theory (DFT) provided insight into the formation of coupled products via binding of the substrate phenoxy radicals. BPA coupling occurred via carbon � carbon binding at the ortho positions of two BPA phenoxy radicals, similar to the binding for NP phenoxy radicals; however, TCS radicals coupled at para positions. These reactions lowered the estrogenic activity, consistent with the yeast estrogen screen bioassay.

Transformation of Bisphenol A, triclosan, and nonylphenol by the Fe-TAML/H<sub>2</sub>O<sub>2</sub> system

248th National Meeting (2014)

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Transformation of Bisphenol A, triclosan, and nonylphenol by the Fe-TAML/H2O2 system

Transformation of Bisphenol A, triclosan, and nonylphenol by the Fe-TAML/H₂O₂ system