What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS
A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, ho...
| Main Authors: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-11-01
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| Series: | Environment International |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0160412023005615 |
| _version_ | 1827753360680288256 |
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| author | Wiebke Dürig Sofia Lindblad Oksana Golovko Georgios Gkotsis Reza Aalizadeh Maria-Christina Nika Nikolaos Thomaidis Nikiforos A. Alygizakis Merle Plassmann Peter Haglund Qiuguo Fu Juliane Hollender Jade Chaker Arthur David Uwe Kunkel André Macherius Lidia Belova Giulia Poma Hugues Preud'Homme Catherine Munschy Yann Aminot Carsten Jaeger Jan Lisec Martin Hansen Katrin Vorkamp Linyan Zhu Francesca Cappelli Claudio Roscioli Sara Valsecchi Renzo Bagnati Belén González Ailette Prieto Olatz Zuloaga Ruben Gil-Solsona Pablo Gago-Ferrero Sara Rodriguez-Mozaz Hélène Budzinski Marie-Helene Devier Georg Dierkes Lise Boulard Griet Jacobs Stefan Voorspoels Heinz Rüdel Lutz Ahrens |
| author_facet | Wiebke Dürig Sofia Lindblad Oksana Golovko Georgios Gkotsis Reza Aalizadeh Maria-Christina Nika Nikolaos Thomaidis Nikiforos A. Alygizakis Merle Plassmann Peter Haglund Qiuguo Fu Juliane Hollender Jade Chaker Arthur David Uwe Kunkel André Macherius Lidia Belova Giulia Poma Hugues Preud'Homme Catherine Munschy Yann Aminot Carsten Jaeger Jan Lisec Martin Hansen Katrin Vorkamp Linyan Zhu Francesca Cappelli Claudio Roscioli Sara Valsecchi Renzo Bagnati Belén González Ailette Prieto Olatz Zuloaga Ruben Gil-Solsona Pablo Gago-Ferrero Sara Rodriguez-Mozaz Hélène Budzinski Marie-Helene Devier Georg Dierkes Lise Boulard Griet Jacobs Stefan Voorspoels Heinz Rüdel Lutz Ahrens |
| author_sort | Wiebke Dürig |
| collection | DOAJ |
| description | A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, homogenised fish samples from a contaminated and a reference site, extracts (spiked and non-spiked) and reference sample preparation protocols for liquid chromatography (LC) and gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS). Participants extracted fish samples using their in-house sample preparation method and/or the protocol provided. Participants correctly identified 9–69 % of spiked compounds using LC-HRMS and 20–60 % of spiked compounds using GC-HRMS. From the contaminated site, suspect screening with participants’ own suspect lists led to putative identification of on average ∼145 and ∼20 unique features per participant using LC-HRMS and GC-HRMS, respectively, while non-target screening identified on average ∼42 and ∼56 unique features per participant using LC-HRMS and GC-HRMS, respectively. Within the same sub-group of sample preparation method, only a few features were identified by at least two participants in suspect screening (16 features using LC-HRMS, 0 features using GC-HRMS) and non-target screening (0 features using LC-HRMS, 2 features using GC-HRMS). The compounds identified had log octanol/water partition coefficient (KOW) values from −9.9 to 16 and mass-to-charge ratios (m/z) of 68 to 761 (LC-HRMS and GC-HRMS). A significant linear trend was found between log KOW and m/z for the GC-HRMS data. Overall, these findings indicate that differences in screening results are mainly due to the data analysis workflows used by different participants. Further work is needed to harmonise the results obtained when applying suspect and non-target screening approaches to environmental biota samples. |
| first_indexed | 2024-03-11T07:35:06Z |
| format | Article |
| id | doaj.art-9dc7833311d549239c38555903805bb5 |
| institution | Directory Open Access Journal |
| issn | 0160-4120 |
| language | English |
| last_indexed | 2024-03-11T07:35:06Z |
| publishDate | 2023-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Environment International |
| spelling | doaj.art-9dc7833311d549239c38555903805bb52023-11-17T05:24:52ZengElsevierEnvironment International0160-41202023-11-01181108288What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMSWiebke Dürig0Sofia Lindblad1Oksana Golovko2Georgios Gkotsis3Reza Aalizadeh4Maria-Christina Nika5Nikolaos Thomaidis6Nikiforos A. Alygizakis7Merle Plassmann8Peter Haglund9Qiuguo Fu10Juliane Hollender11Jade Chaker12Arthur David13Uwe Kunkel14André Macherius15Lidia Belova16Giulia Poma17Hugues Preud'Homme18Catherine Munschy19Yann Aminot20Carsten Jaeger21Jan Lisec22Martin Hansen23Katrin Vorkamp24Linyan Zhu25Francesca Cappelli26Claudio Roscioli27Sara Valsecchi28Renzo Bagnati29Belén González30Ailette Prieto31Olatz Zuloaga32Ruben Gil-Solsona33Pablo Gago-Ferrero34Sara Rodriguez-Mozaz35Hélène Budzinski36Marie-Helene Devier37Georg Dierkes38Lise Boulard39Griet Jacobs40Stefan Voorspoels41Heinz Rüdel42Lutz Ahrens43Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Box 7050, 75007 Uppsala, SwedenDepartment of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Box 7050, 75007 Uppsala, SwedenDepartment of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Box 7050, 75007 Uppsala, SwedenDepartment of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, GreeceDepartment of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, GreeceDepartment of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, GreeceDepartment of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, GreeceDepartment of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece; Environmental Institute, Okružná 784/42, 97241 Koš, SlovakiaDepartment of Environmental Science, Stockholm University, 10691 Stockholm, SwedenDepartment of Chemistry, Chemical Biological Centre (KBC), Umeå University, Linnaeus väg 6, 90187 Umeå, SwedenEawag: Swiss Federal Institute of Aquatic Science and Technology, Überlandstrasse 133, 8600 Dübendorf, Switzerland; Helmholtz Centre for Environmental Research - UFZ, Permoserstraße 15, 04318 Leipzig, GermanyEawag: Swiss Federal Institute of Aquatic Science and Technology, Überlandstrasse 133, 8600 Dübendorf, Switzerland; Institute of Biogeochemistry and Pollutant Dynamics, ETH Zürich, Universitätstrasse 16, 8092 Zürich, SwitzerlandUniversité de Rennes, Inserm, EHESP, Irset - UMR_S, 1085 Rennes, FranceUniversité de Rennes, Inserm, EHESP, Irset - UMR_S, 1085 Rennes, FranceBavarian Environment Agency, Bürgermeister-Ulrich-Straße 160, 86179 Augsburg, GermanyBavarian Environment Agency, Bürgermeister-Ulrich-Straße 160, 86179 Augsburg, GermanyToxicological Centre, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk, BelgiumToxicological Centre, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk, BelgiumIPREM-UMR5254, E2S UPPA, CNRS, 2 avenue Angot, 64053 Pau cedex, FranceIfremer, CCEM Contamination Chimique des Écosystèmes Marins, 44000 Nantes, FranceIfremer, CCEM Contamination Chimique des Écosystèmes Marins, 44000 Nantes, FranceBundesanstalt für Materialforschung und -prüfung (BAM), Analytical Chemistry, Richard-Willstätter-Straße 11, 12489 Berlin, GermanyBundesanstalt für Materialforschung und -prüfung (BAM), Analytical Chemistry, Richard-Willstätter-Straße 11, 12489 Berlin, GermanyDepartment of Environmental Science, Aarhus University, Frederiksborgvej 399, 4000 Roskilde, DenmarkDepartment of Environmental Science, Aarhus University, Frederiksborgvej 399, 4000 Roskilde, DenmarkDepartment of Environmental Science, Aarhus University, Frederiksborgvej 399, 4000 Roskilde, DenmarkWater Research Institute, National Research Council of Italy, Via del Mulino 19, 20861 Brugherio MB, ItalyWater Research Institute, National Research Council of Italy, Via del Mulino 19, 20861 Brugherio MB, ItalyWater Research Institute, National Research Council of Italy, Via del Mulino 19, 20861 Brugherio MB, ItalyDepartment of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, ItalyDepartment of Analytical Chemistry, Faculty of Science and Technology, University of the Basque Country (UPV/EHU), Barrio Sarriena s/n, 48940 Leioa, Spain; Research Centre for Experimental Marine Biology and Biotechnology (PIE), University of the Basque Country (UPV/EHU), Areatza Pasealekua 47, 48620 Plentzia, SpainDepartment of Analytical Chemistry, Faculty of Science and Technology, University of the Basque Country (UPV/EHU), Barrio Sarriena s/n, 48940 Leioa, Spain; Research Centre for Experimental Marine Biology and Biotechnology (PIE), University of the Basque Country (UPV/EHU), Areatza Pasealekua 47, 48620 Plentzia, SpainDepartment of Analytical Chemistry, Faculty of Science and Technology, University of the Basque Country (UPV/EHU), Barrio Sarriena s/n, 48940 Leioa, Spain; Research Centre for Experimental Marine Biology and Biotechnology (PIE), University of the Basque Country (UPV/EHU), Areatza Pasealekua 47, 48620 Plentzia, SpainCatalan Institute for Water Research (ICRA), Carrer Emili Grahit 101, 17003 Girona, Spain; Universitat de Girona, Girona, Spain; Institute of Environmental Assessment and Water Research – Severo Ochoa Excellence Center (IDAEA), Spanish Council of Scientific Research (CSIC), Barcelona 08034, SpainCatalan Institute for Water Research (ICRA), Carrer Emili Grahit 101, 17003 Girona, Spain; Institute of Environmental Assessment and Water Research – Severo Ochoa Excellence Center (IDAEA), Spanish Council of Scientific Research (CSIC), Barcelona 08034, SpainCatalan Institute for Water Research (ICRA), Carrer Emili Grahit 101, 17003 Girona, Spain; Universitat de Girona, Girona, SpainUniversity Bordeaux, CNRS, Bordeaux INP, EPOC, UMR 5805, 33600 Pessac, FranceUniversity Bordeaux, CNRS, Bordeaux INP, EPOC, UMR 5805, 33600 Pessac, FranceFederal Institute of Hydrology, Am Mainzer Tor 1, 56068 Koblenz, GermanyFederal Institute of Hydrology, Am Mainzer Tor 1, 56068 Koblenz, Germany; Metabolomics Core Facility, Centre de Ressources et Recherches Technologiques (C2RT), Institut Pasteur, 25-28 Rue du Dr Roux, 75015 Paris, FranceFlemish Institute for Technological Research (VITO), Unit Separation and Conversion Technology, Boeretang 200, 2400 Mol, BelgiumFlemish Institute for Technological Research (VITO), Unit Separation and Conversion Technology, Boeretang 200, 2400 Mol, BelgiumFraunhofer Institute for Molecular Biology and Applied Ecology (Fraunhofer IME), Auf dem Aberg 1, 57392 Schmallenberg, GermanyDepartment of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Box 7050, 75007 Uppsala, Sweden; Corresponding author.A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, homogenised fish samples from a contaminated and a reference site, extracts (spiked and non-spiked) and reference sample preparation protocols for liquid chromatography (LC) and gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS). Participants extracted fish samples using their in-house sample preparation method and/or the protocol provided. Participants correctly identified 9–69 % of spiked compounds using LC-HRMS and 20–60 % of spiked compounds using GC-HRMS. From the contaminated site, suspect screening with participants’ own suspect lists led to putative identification of on average ∼145 and ∼20 unique features per participant using LC-HRMS and GC-HRMS, respectively, while non-target screening identified on average ∼42 and ∼56 unique features per participant using LC-HRMS and GC-HRMS, respectively. Within the same sub-group of sample preparation method, only a few features were identified by at least two participants in suspect screening (16 features using LC-HRMS, 0 features using GC-HRMS) and non-target screening (0 features using LC-HRMS, 2 features using GC-HRMS). The compounds identified had log octanol/water partition coefficient (KOW) values from −9.9 to 16 and mass-to-charge ratios (m/z) of 68 to 761 (LC-HRMS and GC-HRMS). A significant linear trend was found between log KOW and m/z for the GC-HRMS data. Overall, these findings indicate that differences in screening results are mainly due to the data analysis workflows used by different participants. Further work is needed to harmonise the results obtained when applying suspect and non-target screening approaches to environmental biota samples.http://www.sciencedirect.com/science/article/pii/S0160412023005615Suspect and non-target analysisBiotaLC-HRMSGC-HRMSCollaborative trialExposome |
| spellingShingle | Wiebke Dürig Sofia Lindblad Oksana Golovko Georgios Gkotsis Reza Aalizadeh Maria-Christina Nika Nikolaos Thomaidis Nikiforos A. Alygizakis Merle Plassmann Peter Haglund Qiuguo Fu Juliane Hollender Jade Chaker Arthur David Uwe Kunkel André Macherius Lidia Belova Giulia Poma Hugues Preud'Homme Catherine Munschy Yann Aminot Carsten Jaeger Jan Lisec Martin Hansen Katrin Vorkamp Linyan Zhu Francesca Cappelli Claudio Roscioli Sara Valsecchi Renzo Bagnati Belén González Ailette Prieto Olatz Zuloaga Ruben Gil-Solsona Pablo Gago-Ferrero Sara Rodriguez-Mozaz Hélène Budzinski Marie-Helene Devier Georg Dierkes Lise Boulard Griet Jacobs Stefan Voorspoels Heinz Rüdel Lutz Ahrens What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS Environment International Suspect and non-target analysis Biota LC-HRMS GC-HRMS Collaborative trial Exposome |
| title | What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS |
| title_full | What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS |
| title_fullStr | What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS |
| title_full_unstemmed | What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS |
| title_short | What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS |
| title_sort | what is in the fish collaborative trial in suspect and non target screening of organic micropollutants using lc and gc hrms |
| topic | Suspect and non-target analysis Biota LC-HRMS GC-HRMS Collaborative trial Exposome |
| url | http://www.sciencedirect.com/science/article/pii/S0160412023005615 |
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