Identification of biotransformation products of citalopram formed in activated sludge
Citalopram (CTR) is a worldwide highly consumed antidepressant which has demonstrated incomplete removal by conventional wastewater treatment. Despite its global ubiquitous presence in different environmental compartments, little is known about its behaviour and transformation processes during wastewater treatment. The present study aims to expand the knowledge on fate and transformation of CTR during the biological treatment process. For this purpose, batch reactors were set up to assess biotic, abiotic and sorption losses of this compound. One of the main objectives of the study was the identification of the formed transformation products (TPs) by applying suspect and non-target strategies based on liquid chromatography quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS). The complementary use of reversed phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) for the identification of polar TPs, and the application of in-house developed quantitative structure-retention relationship (QSRR) prediction models, in addition to the comprehensive evaluation of the obtained MS/MS spectra, provided valuable information to support identification. In total, fourteen TPs were detected and thirteen of them were tentatively identified. Four compounds were confirmed (N-desmethylCTR, CTR amide, CTR carboxylic acid and 3-oxo-CTR) through the purchase of the corresponding reference standard. Probable structures based on diagnostic evidence were proposed for the additional nine TPs. Eleven TPs are reported for the first time. A transformation pathway for the biotransformation of CTR was proposed. The presence of the identified TPs was assessed in real wastewater samples through retrospective analysis, resulting in the detection of five compounds. Finally, the potential ecotoxicological risk posed by CTR and its TPs to different trophic levels of aquatic organisms was evaluated by means of risk quotients.
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Elsevier
2016-10-15
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Subjects: | Transformation products, Citalopram, HILIC, LC-QTOF-MS, Metabolites, Retrospective analysis, Ensure healthy lives and promote well-being for all at all ages, Ensure availability and sustainable management of water and sanitation for all, |
Online Access: | http://hdl.handle.net/10261/345511 https://api.elsevier.com/content/abstract/scopus_id/84989863184 |
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dig-idaea-es-10261-3455112024-05-18T20:37:43Z Identification of biotransformation products of citalopram formed in activated sludge Beretsou, Vasiliki G. Psoma, Aikaterini K. Gago-Ferrero, Pablo Aalizadeh, Reza Fenner, Kathrin Thomaidis, Nikolaos S. 0000-0002-3727-4385 0000-0003-1922-0532 0000-0001-9167-9060 0000-0002-4624-4735 Transformation products Citalopram HILIC LC-QTOF-MS Metabolites Retrospective analysis Ensure healthy lives and promote well-being for all at all ages Ensure availability and sustainable management of water and sanitation for all Citalopram (CTR) is a worldwide highly consumed antidepressant which has demonstrated incomplete removal by conventional wastewater treatment. Despite its global ubiquitous presence in different environmental compartments, little is known about its behaviour and transformation processes during wastewater treatment. The present study aims to expand the knowledge on fate and transformation of CTR during the biological treatment process. For this purpose, batch reactors were set up to assess biotic, abiotic and sorption losses of this compound. One of the main objectives of the study was the identification of the formed transformation products (TPs) by applying suspect and non-target strategies based on liquid chromatography quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS). The complementary use of reversed phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) for the identification of polar TPs, and the application of in-house developed quantitative structure-retention relationship (QSRR) prediction models, in addition to the comprehensive evaluation of the obtained MS/MS spectra, provided valuable information to support identification. In total, fourteen TPs were detected and thirteen of them were tentatively identified. Four compounds were confirmed (N-desmethylCTR, CTR amide, CTR carboxylic acid and 3-oxo-CTR) through the purchase of the corresponding reference standard. Probable structures based on diagnostic evidence were proposed for the additional nine TPs. Eleven TPs are reported for the first time. A transformation pathway for the biotransformation of CTR was proposed. The presence of the identified TPs was assessed in real wastewater samples through retrospective analysis, resulting in the detection of five compounds. Finally, the potential ecotoxicological risk posed by CTR and its TPs to different trophic levels of aquatic organisms was evaluated by means of risk quotients. This project was implemented under the Greek Operational Program “Education and Lifelong Learning” and funded by the European Union (European Social Fund) and Greek National Resources (ARISTEIA 624, TREMEPOL project, http://tremepol.chem.uoa.gr/). Authors gratefully acknowledge the contribution of Dr. Rebekka Gulde for reviewing the manuscript, as well as Dr. Anna Bletsou and Nikiforos Alygizakis for the analysis of the WWTP samples. Peer reviewed 2024-02-06T09:08:31Z 2024-02-06T09:08:31Z 2016-10-15 artículo http://purl.org/coar/resource_type/c_6501 Water Research 103: 205-214 (2016) 00431354 http://hdl.handle.net/10261/345511 10.1016/j.watres.2016.07.029 27459150 2-s2.0-84989863184 https://api.elsevier.com/content/abstract/scopus_id/84989863184 en Water research Postprint https://doi.org/10.1016/j.watres.2016.07.029 Sí open Elsevier |
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Transformation products Citalopram HILIC LC-QTOF-MS Metabolites Retrospective analysis Ensure healthy lives and promote well-being for all at all ages Ensure availability and sustainable management of water and sanitation for all Transformation products Citalopram HILIC LC-QTOF-MS Metabolites Retrospective analysis Ensure healthy lives and promote well-being for all at all ages Ensure availability and sustainable management of water and sanitation for all |
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Transformation products Citalopram HILIC LC-QTOF-MS Metabolites Retrospective analysis Ensure healthy lives and promote well-being for all at all ages Ensure availability and sustainable management of water and sanitation for all Transformation products Citalopram HILIC LC-QTOF-MS Metabolites Retrospective analysis Ensure healthy lives and promote well-being for all at all ages Ensure availability and sustainable management of water and sanitation for all Beretsou, Vasiliki G. Psoma, Aikaterini K. Gago-Ferrero, Pablo Aalizadeh, Reza Fenner, Kathrin Thomaidis, Nikolaos S. Identification of biotransformation products of citalopram formed in activated sludge |
description |
Citalopram (CTR) is a worldwide highly consumed antidepressant which has demonstrated incomplete removal by conventional wastewater treatment. Despite its global ubiquitous presence in different environmental compartments, little is known about its behaviour and transformation processes during wastewater treatment. The present study aims to expand the knowledge on fate and transformation of CTR during the biological treatment process. For this purpose, batch reactors were set up to assess biotic, abiotic and sorption losses of this compound. One of the main objectives of the study was the identification of the formed transformation products (TPs) by applying suspect and non-target strategies based on liquid chromatography quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS). The complementary use of reversed phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) for the identification of polar TPs, and the application of in-house developed quantitative structure-retention relationship (QSRR) prediction models, in addition to the comprehensive evaluation of the obtained MS/MS spectra, provided valuable information to support identification. In total, fourteen TPs were detected and thirteen of them were tentatively identified. Four compounds were confirmed (N-desmethylCTR, CTR amide, CTR carboxylic acid and 3-oxo-CTR) through the purchase of the corresponding reference standard. Probable structures based on diagnostic evidence were proposed for the additional nine TPs. Eleven TPs are reported for the first time. A transformation pathway for the biotransformation of CTR was proposed. The presence of the identified TPs was assessed in real wastewater samples through retrospective analysis, resulting in the detection of five compounds. Finally, the potential ecotoxicological risk posed by CTR and its TPs to different trophic levels of aquatic organisms was evaluated by means of risk quotients. |
author2 |
0000-0002-3727-4385 |
author_facet |
0000-0002-3727-4385 Beretsou, Vasiliki G. Psoma, Aikaterini K. Gago-Ferrero, Pablo Aalizadeh, Reza Fenner, Kathrin Thomaidis, Nikolaos S. |
format |
artículo |
topic_facet |
Transformation products Citalopram HILIC LC-QTOF-MS Metabolites Retrospective analysis Ensure healthy lives and promote well-being for all at all ages Ensure availability and sustainable management of water and sanitation for all |
author |
Beretsou, Vasiliki G. Psoma, Aikaterini K. Gago-Ferrero, Pablo Aalizadeh, Reza Fenner, Kathrin Thomaidis, Nikolaos S. |
author_sort |
Beretsou, Vasiliki G. |
title |
Identification of biotransformation products of citalopram formed in activated sludge |
title_short |
Identification of biotransformation products of citalopram formed in activated sludge |
title_full |
Identification of biotransformation products of citalopram formed in activated sludge |
title_fullStr |
Identification of biotransformation products of citalopram formed in activated sludge |
title_full_unstemmed |
Identification of biotransformation products of citalopram formed in activated sludge |
title_sort |
identification of biotransformation products of citalopram formed in activated sludge |
publisher |
Elsevier |
publishDate |
2016-10-15 |
url |
http://hdl.handle.net/10261/345511 https://api.elsevier.com/content/abstract/scopus_id/84989863184 |
work_keys_str_mv |
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