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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Simulated solar UV-irradiation of endocrine disrupting chemical octylphenol
Mariana Neamţu1, Dana-Melania Popa, Fritz H Frimmel
1Department of Environmental Engineering and Management, Technical University of Iasi, Iasi, Romania. mariana.neamtu@web.de
Abstract:
The photolysis of octylphenol (OP) was investigated using a solar simulator in the absence/presence of dissolved natural organic matter (DNOM), HCO(3)(-), NO(3)(-) and Fe(III) ions. The effects of different parameters such as initial pH, initial concentration of substrate, temperature, and the effect of hydrogen peroxide concentration on photodegradation of octylphenol in aqueous solution have been assessed. The results indicate that the oxidation rate increases in the presence of H(2)O(2), nitrate and DNOM. Phenol, 1,4-dihydroxylbenzene and 1,4-benzoquinone were identified as intermediate products of photodegradation of octylphenol, through an HPLC method. In addition, the disappearance of the estrogenic activity of octylphenol during irradiation using YES test was investigated. Based upon the YES test results, there was a strong decrease of estrogenic activity of octylphenol after 8h irradiation in the presence of hydrogen peroxide.

