Monitoring of methotrexate chlorination in water
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In: Water Research, Vol. 57, 15.06.2014, p. 67-75.
Research output: Journal contributions › Journal articles › Research › peer-review
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TY - JOUR
T1 - Monitoring of methotrexate chlorination in water
AU - Roig, Benoit
AU - Marquenet, Baptiste
AU - Delpla, Ianis
AU - Bessonneau, Vincent
AU - Sellier, Amélie
AU - Leder, C
AU - Thomas, Olivier
AU - Bolek, R
AU - Kummerer, K
N1 - Copyright © 2014 Elsevier Ltd. All rights reserved.
PY - 2014/6/15
Y1 - 2014/6/15
N2 - 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.
AB - 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.
KW - Chemistry
KW - Anti-cancer drug
KW - Chlorination
KW - Drinking water
KW - Transformation product
KW - UV-spectrophotometry
UR - http://www.scopus.com/inward/record.url?scp=84897419865&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/cf9b23e1-4818-3c57-bb36-b79ffa90fd2a/
U2 - 10.1016/j.watres.2014.03.008
DO - 10.1016/j.watres.2014.03.008
M3 - Journal articles
C2 - 24704904
VL - 57
SP - 67
EP - 75
JO - Water Research
JF - Water Research
SN - 0043-1354
ER -