Transformation of tamoxifen and its major metabolites during water chlorination: Identification and in silico toxicity assessment of their disinfection byproducts

Water Research
N NegreiraDamià Barceló

Abstract

The selective estrogen receptor modulator tamoxifen is the most commonly used drug for the treatment and prevention of breast cancer. Tamoxifen is considered as a pro-drug since it is known to exert its pharmacological effect through its major active metabolites, 4-hydroxy-tamoxifen and 4-hydroxy-N-desmethyl-tamoxifen, which are mainly excreted in the urine in the days following administration. In the present work, the reactivity of tamoxifen and its major active metabolites in free chlorine-containing water was investigated for the first time. Under the studied chlorination conditions, tamoxifen was fairly stable whereas its metabolites were quickly degraded. A total of thirteen chlorinated byproducts were tentatively identified by ultra-high performance liquid chromatography coupled to high-resolution hybrid quadrupole-Orbitrap tandem mass spectrometry. Time-course profiles of the identified byproducts were followed in real wastewater samples under conditions that simulate wastewater disinfection. A preliminary assessment of their acute aquatic toxicity at two trophic levels by means of quantitative structure-activity relationship models showed that the identified byproducts were up to 110-fold more toxic than the parent comp...Continue Reading

References

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Aug 27, 2014·Journal of Hazardous Materials·Cristina Postigo, Susan D Richardson

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Citations

Apr 12, 2016·Environmental Science. Processes & Impacts·Wan Nor Adira Wan Khalit, Kheng Soo Tay
Nov 21, 2019·Applied Microbiology and Biotechnology·Camila Senna PereiraHugo Moreira Soares
Apr 7, 2021·Environmental Research·Marina Ariño MartinEakalak Khan
Aug 25, 2021·The Science of the Total Environment·Carla NassourJames Barker

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