Publication Type Journal Article
Title Transformation products of citalopram: Identification, wastewater analysis and in silico toxicological assessment
Authors Rodrigo A. Osawa Ana P. Carvalho O. Monteiro M. Conceição Oliveira M. Helena Florencio
Groups CE BIOMOL
Journal CHEMOSPHERE
Year 2019
Month February
Volume 217
Number
Pages 858-868
Abstract The objective of this study was to identify transformation products (TPs) of citalopram (CIT), an antidepressant drug, in laboratory experiments. Moreover, toxicity predictions and analyzes in wastewater samples were performed. For the formation of TPs, raw water was used for the processes of hydrolysis; photodegradation under ultraviolet (UV) irradiation and chlorination. The toxicities were predicted by computational toxicity assessment. The TPs were identified by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOF/MS) in broadband collision induced dissociation (bbCID) acquisition mode and product ion scan mode (MS/MS). The probable structures of the TPs under study were established based on accurate mass, fragmentations observed in the MS spectra and prediction tools software. The experiments resulted in seventeen possible identified TPs and their stability and formation was monitored over time in the experiments. Two of these TPs were identified in wastewater samples It was also observed that most of TPs formed were either less toxic then CIT or had a similar toxicity. (C) 2018 Elsevier Ltd. All rights reserved.
DOI http://dx.doi.org/10.1016/j.chemosphere.2018.11.027
ISBN
Publisher
Book Title
ISSN 0045-6535
EISSN 1879-1298
Conference Name
Bibtex ID ISI:000456223500094
Observations
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