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<publisher>HAL CCSD</publisher>
<title lang=en>Monitoring of methotrexate chlorination in water.</title>
<creator>Roig, B.</creator>
<creator>Marquenet, B.</creator>
<creator>Delpla, I.</creator>
<creator>Bessonneau, V.</creator>
<creator>Sellier, A.</creator>
<creator>Leder, C.</creator>
<creator>Thomas, O.</creator>
<creator>Bolek, R.</creator>
<creator>Kummerer, K.</creator>
<contributor>Laboratoire d'étude et de recherche en environnement et santé (LERES) ; École des Hautes Études en Santé Publique [EHESP] (EHESP)</contributor>
<contributor>École des Hautes Études en Santé Publique [EHESP] (EHESP)</contributor>
<contributor>Department of Chemistry [Waterloo] ; University of Waterloo [Waterloo]</contributor>
<contributor>Institut de recherche, santé, environnement et travail [Rennes] (Irset) ; Université d'Angers (UA) - Université des Antilles et de la Guyane (UAG) - Université de Rennes 1 (UR1) - École des Hautes Études en Santé Publique [EHESP] (EHESP) - Institut National de la Santé et de la Recherche Médicale (INSERM) - Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique )</contributor>
<contributor>Institute for Sustainable and Environmental Chemistry ; Leuphana Universität</contributor>
<contributor>This research was financially supported by the European Union (European Commission, FP7 project PHARMAS, contract no. 265346). The authors wish to thank MultiCASE Inc. and Leadscope Inc. for providing CASE Ultra software and Leadscope software and LERES Extratox team for their analytical support.</contributor>
<description>International audience</description>
<source>ISSN: 0043-1354</source>
<source>Water Research</source>
<publisher>IWA Publishing</publisher>
<identifier>hal-01016617</identifier>
<identifier>https://hal-univ-rennes1.archives-ouvertes.fr/hal-01016617</identifier>
<identifier>https://hal-univ-rennes1.archives-ouvertes.fr/hal-01016617/document</identifier>
<identifier>https://hal-univ-rennes1.archives-ouvertes.fr/hal-01016617/file/Monitoringsur methotrexate_final.pdf</identifier>
<source>https://hal-univ-rennes1.archives-ouvertes.fr/hal-01016617</source>
<source>Water Research, IWA Publishing, 2014, 57, pp.67-75. 〈10.1016/j.watres.2014.03.008〉</source>
<identifier>DOI : 10.1016/j.watres.2014.03.008</identifier>
<relation>info:eu-repo/semantics/altIdentifier/doi/10.1016/j.watres.2014.03.008</relation>
<identifier>PUBMED : 24704904</identifier>
<relation>info:eu-repo/semantics/altIdentifier/pmid/24704904</relation>
<language>en</language>
<subject lang=en>Anti-cancer drug</subject>
<subject lang=en>Chlorination</subject>
<subject lang=en>Transformation product</subject>
<subject lang=en>UV-spectrophotometry</subject>
<subject lang=en>Drinking water</subject>
<subject>[SDV] Life Sciences [q-bio]</subject>
<type>info:eu-repo/semantics/article</type>
<type>Journal articles</type>
<description lang=en>Anti-cancer drugs are an important class of pharmaceutical products. Methotrexate (MTX) is a folic acid antagonist used in high doses as antimetabolite in anti-cancer treatment as well as in low doses for the treatment of rheumatoid arthritis and adults' psoriasis. In the past, several anti-cancer drugs, including methotrexate, have been found in the environment. Their presence in water, especially if used for the production of drinking water, is even in low concentrations of particular interest, due to the risk to retrieve them in the consumed water and their high activity and grave effects. But prior to usage as drinking water, raw waters are treated and chlorination is a common practice in several countries. As such a treatment can lead to the formation of organochlorine in water, the study of the fate of MTX during chlorination in a batch trial was carried out. The reaction was monitored by dissolved organic carbon (DOC) and by fluorescence and UV spectroscopy. Investigation of by-products formed was done with liquid chromatography/mass spectrometry (LC/MS). Under the given experimental conditions, Methotrexate was eliminated rapidly (t1/2 around 21 min). However, DOC elimination was incomplete. Monitoring with LC-MS showed the formation of a monochlorinated transformation product of MTX. In silico analysis of the proposed transformation products for different carcinogenic, mutagenic and genotoxic endpoints with different software platforms provided no clear evidence that the possible transformation products after chlorination might be more toxic than the parent compound. However, since a number of alerts is altered after chlorination, it cannot be excluded that the toxicity of these transformation products might be modulated compared with the parent compound.</description>
<date>2014-06-15</date>
<contributor>European Project : 265346, EC:FP7:ENV, FP7-ENV-2010, PHARMAS(2011)</contributor>
<relation>info:eu-repo/grantAgreement/EC/FP7/265346/EU/Ecological and human health risk assessments of antibiotics and anti-cancer drugs found in the environment./PHARMAS</relation>
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