Please use this identifier to cite or link to this item: 10.1016/j.envint.2022.107452
Title: A large scale multi-laboratory suspect screening of pesticide metabolites in human biomonitoring : From tentative annotations to verified occurrences
Authors: Huber, Carolin
Nijssen, Rosalie
Mol, Hans
Philippe Antignac, Jean
Krauss, Martin
Brack, Werner
Wagner, Kevin
Debrauwer, Laurent
Maria Vitale, Chiara
James Price, Elliott
Klanova, Jana
Garlito Molina, Borja
Leon, Nuria
Pardo, Olga
Fernández, Sandra F
Szigeti, Tamás
Középesy, Szilvia
Šulc, Libor
Mārtiņsone, Inese
Akülova, Läsma
Čupr, Pavel
Ottenbros, Ilse
Vermeulen, Roel
Vlaanderen, Jelle
Luijten, Mirjam
Lommen, Arjen
Laboratory of Hygiene and Occupational Diseases
Keywords: 3.3 Health sciences;1.4 Chemical sciences;1.1. Scientific article indexed in Web of Science and/or Scopus database
Issue Date: Oct-2022
Citation: Huber , C , Nijssen , R , Mol , H , Philippe Antignac , J , Krauss , M , Brack , W , Wagner , K , Debrauwer , L , Maria Vitale , C , James Price , E , Klanova , J , Garlito Molina , B , Leon , N , Pardo , O , Fernández , S F , Szigeti , T , Középesy , S , Šulc , L , Mārtiņsone , I , Akülova , L , Čupr , P , Ottenbros , I , Vermeulen , R , Vlaanderen , J , Luijten , M & Lommen , A 2022 , ' A large scale multi-laboratory suspect screening of pesticide metabolites in human biomonitoring : From tentative annotations to verified occurrences ' , Environment International , vol. 168 , no. October 2022 , 107452 . https://doi.org/10.1016/j.envint.2022.107452
Abstract: Within the Human Biomonitoring for Europe initiative (HBM4EU), a study to determine new biomarkers of exposure to pesticides and to assess exposure patterns was conducted. Human urine samples (N = 2,088) were collected from five European regions in two different seasons. The objective of the study was to identify pesticides and their metabolites in collected urine samples with a harmonized suspect screening approach based on liquid chromatography coupled to high resolution mass spectrometry (LC-HRMS) applied in five laboratories. A combined data processing workflow included comprehensive data reduction, correction of mass error and retention time (RT) drifts, isotopic pattern analysis, adduct and elemental composition annotation, finalized by a mining of the elemental compositions for possible annotations of pesticide metabolites. The obtained tentative annotations (n = 498) were used for acquiring representative data-dependent tandem mass spectra (MS 2) and verified by spectral comparison to reference spectra generated from commercially available reference standards or produced through human liver S9 in vitro incubation experiments. 14 parent pesticides and 71 metabolites (including 16 glucuronide and 11 sulfate conjugates) were detected. Collectively these related to 46 unique pesticides. For the remaining tentative annotations either (i) no data-dependent MS 2 spectra could be acquired, (ii) the spectral purity was too low for sufficient matching, or (iii) RTs indicated a wrong annotation, leaving potential for more pesticides and/or their metabolites being confirmed in further studies. Thus, the reported results are reflecting only a part of the possible pesticide exposure.
Description: Funding Information: This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 733032 HBM4EU. C.M.V., E.J.P, L.Š., P.Č. & J.K. acknowledge the RECETOX research infrastructure supported by the Ministry of Education, Youth and Sports of the Czech Republic (LM2018121) and the Ministry of Education, Youth and Sports of the Czech Republic (CZ.02.1.01/0.0/0.0/17_043/0009632). This work was supported from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 857560 and No 857340. E.J.P. acknowledges support from Czech Operational Programme Research, Development and Education - Project MSCAfellow4@MUNI (No. CZ.02.2.69/0.0/0.0/20_079/0017045). L.D. and K.W. would like to thank the MetaboHUB French National Infrastructure (MetaboHUB-ANR-11-INBS-0010, 2011). The QExactive Plus LC-HRMS used at UFZ is part of the major infrastructure initiative CITEPro (Chemicals in the Terrestrial Environment Profiler) funded by the Helmholtz Association. The Dutch Ministry of Agriculture, Nature and Food Quality are acknowledged for co-funding through projects 1277354201 and 1267333701. The European Union is acknowledged for co-funding through the European Regional Development Fund Operational Programme (ERDF) of the Valencia Region (2014-2020). This publication reflects only the author's view and the European Commission is not responsible for any use that may be made of the information it contains. Funding Information: This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 733032 HBM4EU. C.M.V. E.J.P, L.Š. P.Č. & J.K. acknowledge the RECETOX research infrastructure supported by the Ministry of Education, Youth and Sports of the Czech Republic (LM2018121) and the Ministry of Education, Youth and Sports of the Czech Republic (CZ.02.1.01/0.0/0.0/17_043/0009632). This work was supported from the European Union's Horizon 2020 research and innovation programme under grant agreement No 857560 and No 857340. E.J.P. acknowledges support from Czech Operational Programme Research, Development and Education - Project MSCAfellow4@MUNI (No. CZ.02.2.69/0.0/0.0/20_079/0017045). L.D. and K.W. would like to thank the MetaboHUB French National Infrastructure (MetaboHUB-ANR-11-INBS-0010, 2011). The QExactive Plus LC-HRMS used at UFZ is part of the major infrastructure initiative CITEPro (Chemicals in the Terrestrial Environment Profiler) funded by the Helmholtz Association. The Dutch Ministry of Agriculture, Nature and Food Quality are acknowledged for co-funding through projects 1277354201 and 1267333701. The European Union is acknowledged for co-funding through the European Regional Development Fund Operational Programme (ERDF) of the Valencia Region (2014-2020). This publication reflects only the author's view and the European Commission is not responsible for any use that may be made of the information it contains. Publisher Copyright: © 2022
DOI: 10.1016/j.envint.2022.107452
ISSN: 0160-4120
Appears in Collections:Research outputs from Pure / Zinātniskās darbības rezultāti no ZDIS Pure

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