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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
Phenolic endocrine-disrupting compounds in the Pearl River Estuary: Occurrence, bioaccumulation and risk assessment
Panpan Diao1, Qi Chen1, Rui Wang1
1Research Center of Hydrobiology, Jinan University, P.R. China.
Abstract:
Three phenolic endocrine-disrupting compounds, 4-nonylphenol, 4-tert-octylphenol and bisphenol A, were determined in water, sediment and biota (fish, shrimp and mollusk) collected from sites along the Pearl River Estuary, China. The 4-nonylphenol, 4-tert-octylphenol and bisphenol A concentrations ranged from 1.20-3352.86ng/L in the water, <0.17-20.80ng/g dw in the sediment and <1.49-237.12ng/g dw in the biota. The concentrations of 4-nonylphenol were higher than those of 4-tert-octylphenol and bisphenol A in the water, sediment and organisms. Moreover, the bioconcentration factors (BCFs) and biota-sediment accumulation factors (BSAFs) of 4-nonylphenol and bisphenol A were calculated, and were found to be higher for 4-nonylphenol and in demersal organisms. To assess co-exposure to phenolic endocrine-disrupting compounds, the 4-nonylphenol equivalent was employed to evaluate the potential risks to aquatic organisms and human health, and the results indicated a low risk.

