The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Hiba Mohammed Taha; Reza Aalizadeh; Nikiforos Alygizakis; Jean Philippe Antignac; Hans Peter H. Arp; Richard Bade; Nancy Baker; Lidia Belova; Lubertus Bijlsma; Evan E. Bolton; Werner Brack; Alberto Celma; Wen Ling Chen; Tiejun Cheng; Parviel Chirsir; Ľuboš Čirka; Lisa A. D’Agostino; Yannick Djoumbou Feunang; Valeria Dulio; Stellan Fischer; Pablo Gago-Ferrero; Aikaterini Galani; Birgit Geueke; Natalia Głowacka; Juliane Glüge; Ksenia Groh; Sylvia Grosse; Peter Haglund; Pertti J. Hakkinen; Sarah E. Hale; Felix Hernandez; Elisabeth M.L. Janssen; Tim Jonkers; Karin Kiefer; Michal Kirchner; Jan Koschorreck; Martin Krauss; Jessy Krier; Marja H. Lamoree; Marion Letzel; Thomas Letzel; Qingliang Li; James Little; Yanna Liu; David M. Lunderberg; Jonathan W. Martin; Andrew D. McEachran; John A. McLean; Christiane Meier; Jeroen Meijer; Frank Menger; Carla Merino; Jane Muncke; Matthias Muschket; Michael Neumann; Vanessa Neveu; Kelsey Ng; Herbert Oberacher; Jake O’Brien; Peter Oswald; Martina Oswaldova; Jaqueline A. Picache; Cristina Postigo; Noelia Ramirez; Thorsten Reemtsma; Justin Renaud; Pawel Rostkowski; Heinz Rüdel; Reza M. Salek; Saer Samanipour; Martin Scheringer; Ivo Schliebner; Wolfgang Schulz; Tobias Schulze; Manfred Sengl; Benjamin A. Shoemaker; Kerry Sims; Heinz Singer; Randolph R. Singh; Mark Sumarah; Paul A. Thiessen; Kevin V. Thomas; Sonia Torres; Xenia Trier; Annemarie P. van Wezel; Roel C.H. Vermeulen; Jelle J. Vlaanderen; Peter C. von der Ohe; Zhanyun Wang; Antony J. Williams; Egon L. Willighagen; David S. Wishart; Jian Zhang; Nikolaos S. Thomaidis; Juliane Hollender; Jaroslav Slobodnik; Emma L. Schymanski

doi:10.1186/s12302-022-00680-6

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Hiba Mohammed Taha, Reza Aalizadeh, Nikiforos Alygizakis, Jean Philippe Antignac, Hans Peter H. Arp, Richard Bade, Nancy Baker, Lidia Belova, Lubertus Bijlsma, Evan E. Bolton, Werner Brack, Alberto Celma, Wen Ling Chen, Tiejun Cheng, Parviel Chirsir, Ľuboš Čirka, Lisa A. D’Agostino, Yannick Djoumbou Feunang, Valeria Dulio, Stellan FischerPablo Gago-Ferrero, Aikaterini Galani, Birgit Geueke, Natalia Głowacka, Juliane Glüge, Ksenia Groh, Sylvia Grosse, Peter Haglund, Pertti J. Hakkinen, Sarah E. Hale, Felix Hernandez, Elisabeth M.L. Janssen, Tim Jonkers, Karin Kiefer, Michal Kirchner, Jan Koschorreck, Martin Krauss, Jessy Krier, Marja H. Lamoree, Marion Letzel, Thomas Letzel, Qingliang Li, James Little, Yanna Liu, David M. Lunderberg, Jonathan W. Martin, Andrew D. McEachran, John A. McLean, Christiane Meier, Jeroen Meijer, Frank Menger, Carla Merino, Jane Muncke, Matthias Muschket, Michael Neumann, Vanessa Neveu, Kelsey Ng, Herbert Oberacher, Jake O’Brien, Peter Oswald, Martina Oswaldova, Jaqueline A. Picache, Cristina Postigo, Noelia Ramirez, Thorsten Reemtsma, Justin Renaud, Pawel Rostkowski, Heinz Rüdel, Reza M. Salek, Saer Samanipour, Martin Scheringer, Ivo Schliebner, Wolfgang Schulz, Tobias Schulze, Manfred Sengl, Benjamin A. Shoemaker, Kerry Sims, Heinz Singer, Randolph R. Singh, Mark Sumarah, Paul A. Thiessen, Kevin V. Thomas, Sonia Torres, Xenia Trier, Annemarie P. van Wezel, Roel C.H. Vermeulen, Jelle J. Vlaanderen, Peter C. von der Ohe, Zhanyun Wang, Antony J. Williams, Egon L. Willighagen, David S. Wishart, Jian Zhang, Nikolaos S. Thomaidis, Juliane Hollender, Jaroslav Slobodnik, Emma L. Schymanski^*

^*Corresponding author for this work

AIMMS

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Background: The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for “suspect screening” lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. Results: The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101). Conclusions: The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the “one substance, one assessment” approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/).

Original language	English
Article number	104
Pages (from-to)	1-26
Number of pages	26
Journal	Environmental Sciences Europe
Volume	34
Issue number	1
Early online date	21 Oct 2022
DOIs	https://doi.org/10.1186/s12302-022-00680-6
Publication status	Published - Dec 2022

Bibliographical note

Funding Information:
The authors wish to acknowledge all contributors to the NORMAN-SLE and to the information behind the NORMAN-SLE who are not otherwise mentioned in this article. All authors thank those who contributed to all the open software and web services used in this study that have underpinned these efforts. We gratefully acknowledge the contributions of those we could no longer contact and/or who made contributions without our explicit knowledge. Specifically, the authors wish to acknowledge Anca Baesu (McGill University, Canada, S74), Barbara Günthardt (formerly Eawag/Agroscope, S29), Jan Oltmanns (Forschungs- und Beratungsinstitut Gefahrstoffe GmbH (FoBiG), Germany) and Rosa Sjerps (Oasen, Netherlands, S5, S27) who were all approached to be authors and preferred to be acknowledged, along with Robert Mistrik (HighChem, Slovakia, S19) who was approached to be authors but did not respond. Further, the authors acknowledge Ton van Leerdam (KWR, Netherlands), Sascha Lege (formerly University of Tübingen, Germany, S1), Graham Peaslee (Notre Dame University, USA, S9), Guangbo Qu and Guibin Jiang (Chinese Academy of Sciences, China, S46), Marie-Léonie Bohlen and Markus Schwarz (FoBIG, Germany, S54), Oliver Licht and Sylvia Escher (Frauenhofer ITEM, Germany, S54), David Fabregat-Safont, Maria Ibáñez and Juan Vincente Sancho (University Jaume I, Spain, S61), Raoul Wolf (Norwegian Geotechnical Institute, Norway, S90), the PFAS Analytical Exchange Steering Group members Alun James, Anna Kärrman, Audun Heggelund, Belén González-Gaya, Duncan Gray, Griet Jacobs, Leendert Vergeynst, Noora Perkola, Robert Carter, Stefan van Leeuwen and Ulrich Borchers (S95 [215]) as well as Ann Richard, Chris Grulke and the DSSTox curation team (US EPA, USA). This information is also given in Additional file 5. Thanks to the internal reviewers for their helpful comments. PJH retired from NIH NLM in 2020 and is now an NIH Special Volunteer in Toxicology and Environmental Health Sciences at NCBI. Where authors are identified as personnel of the International Agency for Research on Cancer/World Health Organization, the authors (VN, ReS) alone are responsible for the views expressed in this article and they do not necessarily represent the decisions, policy or views of the International Agency for Research on Cancer / World Health Organization. The views expressed in this manuscript are solely those of the authors and do not represent the policies of the U.S. Environmental Protection Agency or other agencies. Mention of trade names of commercial products should not be interpreted as an endorsement by the U.S. Environmental Protection Agency. This work has been internally reviewed at the US EPA and has been approved for publication.

Funding Information:
The NORMAN-SLE project has received funding from the NORMAN Association via its joint proposal of activities. HMT and ELS are supported by the Luxembourg National Research Fund (FNR) for project A18/BM/12341006. ELS, PC, SEH, HPHA, ZW acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 101036756, project ZeroPM: Zero pollution of persistent, mobile substances. The work of EEB, TC, QL, BAS, PAT, and JZ was supported by the National Center for Biotechnology Information of the National Library of Medicine (NLM), National Institutes of Health (NIH). JOB is the recipient of an NHMRC Emerging Leadership Fellowship (EL1 2009209). KVT and JOB acknowledge the support of the Australian Research Council (DP190102476). The Queensland Alliance for Environmental Health Sciences, The University of Queensland, gratefully acknowledges the financial support of the Queensland Department of Health. NR is supported by a Miguel Servet contract (CP19/00060) from the Instituto de Salud Carlos III, co-financed by the European Union through Fondo Europeo de Desarrollo Regional (FEDER). MM and TR gratefully acknowledge financial support by the German Ministry for Education and Research (BMBF, Bonn) through the project “Persistente mobile organische Chemikalien in der aquatischen Umwelt (PROTECT)” (FKz: 02WRS1495 A/B/E). LiB acknowledges funding through a Research Foundation Flanders (FWO) fellowship (11G1821N). JAP and JMcL acknowledge financial support from the NIH for CCSCompendium (S50 CCSCOMPEND) via grants NIH NIGMS R01GM092218 and NIH NCI 1R03CA222452-01, as well as the Vanderbilt Chemical Biology Interface training program (5T32GM065086-16), plus use of resources of the Center for Innovative Technology (CIT) at Vanderbilt University. TJ was (partly) supported by the Dutch Research Council (NWO), project number 15747. UFZ (TS, MaK, WB) received funding from SOLUTIONS project (European Union’s Seventh Framework Programme for research, technological development and demonstration under Grant Agreement No. 603437). TS, MaK, WB, JPA, RCHV, JJV, JeM and MHL acknowledge HBM4EU (European Union’s Horizon 2020 research and innovation programme under the grant agreement no. 733032). TS acknowledges funding from NFDI4Chem—Chemistry Consortium in the NFDI (supported by the DFG under project number 441958208). TS, MaK, WB and EMLJ acknowledge NaToxAq (European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 722493). S36 and S63 (HPHA, SEH, MN, IS) were funded by the German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety (BMU) Project No. (FKZ) 3716 67 416 0, updates to S36 (HPHA, SEH, MN, IS) by the German Federal Ministry for the Environment, Nature Conservation, Nuclear Safety and Consumer Protection (BMUV) Project No. (FKZ) 3719 65 408 0. MiK acknowledges financial support from the EU Cohesion Funds within the project Monitoring and assessment of water body status (No. 310011A366 Phase III). The work related to S60 and S82 was funded by the Swiss Federal Office for the Environment (FOEN), KK and JH acknowledge the input of Kathrin Fenner’s group (Eawag) in compiling transformation products from European pesticides registration dossiers. DSW and YDF were supported by the Canadian Institutes of Health Research and Genome Canada. The work related to S49, S48 and S77 was funded by the MAVA foundation; for S77 also the Valery Foundation (KG, JaM, BG). DML acknowledges National Science Foundation Grant RUI-1306074. YL acknowledges the National Natural Science Foundation of China (Grant No. 22193051 and 21906177), and the Chinese Postdoctoral Science Foundation (Grant No. 2019M650863). WLC acknowledges research project 108C002871 supported by the Environmental Protection Administration, Executive Yuan, R.O.C. Taiwan (Taiwan EPA). JG acknowledges funding from the Swiss Federal Office for the Environment. AJW was funded by the U.S. Environmental Protection Agency. LuB, AC and FH acknowledge the financial support of the Generalitat Valenciana (Research Group of Excellence, Prometeo 2019/040). KN (S89) acknowledges the PhD fellowship through Marie Skłodowska-Curie grant agreement No. 859891 (MSCA-ETN). Exposome-Explorer (S34) was funded by the European Commission projects EXPOsOMICS FP7-KBBE-2012 [308610]; NutriTech FP7-KBBE-2011-5 [289511]; Joint Programming Initiative FOODBALL 2014–17. CP acknowledges grant RYC2020-028901-I funded by MCIN/AEI/1.0.13039/501100011033 and “ESF investing in your future”, and August T Larsson Guest Researcher Programme from the Swedish University of Agricultural Sciences. The work of ML, MaSe, SG, TL and WS creating and filling the STOFF-IDENT database (S2) mostly sponsored by the German Federal Ministry of Education and Research within the RiSKWa program (funding codes 02WRS1273 and 02WRS1354). XT acknowledges The National Food Institute, Technical University of Denmark. MaSch acknowledges funding by the RECETOX research infrastructure (the Czech Ministry of Education, Youth and Sports, LM2018121), the CETOCOEN PLUS project (CZ.02.1.01/0.0/0.0/15_003/0000469), and the CETOCOEN EXCELLENCE Teaming 2 project supported by the Czech ministry of Education, Youth and Sports (No CZ.02.1.01/0.0/0.0/17_043/0009632).

Publisher Copyright:
© 2022, The Author(s).

Funding

The authors wish to acknowledge all contributors to the NORMAN-SLE and to the information behind the NORMAN-SLE who are not otherwise mentioned in this article. All authors thank those who contributed to all the open software and web services used in this study that have underpinned these efforts. We gratefully acknowledge the contributions of those we could no longer contact and/or who made contributions without our explicit knowledge. Specifically, the authors wish to acknowledge Anca Baesu (McGill University, Canada, S74), Barbara Günthardt (formerly Eawag/Agroscope, S29), Jan Oltmanns (Forschungs- und Beratungsinstitut Gefahrstoffe GmbH (FoBiG), Germany) and Rosa Sjerps (Oasen, Netherlands, S5, S27) who were all approached to be authors and preferred to be acknowledged, along with Robert Mistrik (HighChem, Slovakia, S19) who was approached to be authors but did not respond. Further, the authors acknowledge Ton van Leerdam (KWR, Netherlands), Sascha Lege (formerly University of Tübingen, Germany, S1), Graham Peaslee (Notre Dame University, USA, S9), Guangbo Qu and Guibin Jiang (Chinese Academy of Sciences, China, S46), Marie-Léonie Bohlen and Markus Schwarz (FoBIG, Germany, S54), Oliver Licht and Sylvia Escher (Frauenhofer ITEM, Germany, S54), David Fabregat-Safont, Maria Ibáñez and Juan Vincente Sancho (University Jaume I, Spain, S61), Raoul Wolf (Norwegian Geotechnical Institute, Norway, S90), the PFAS Analytical Exchange Steering Group members Alun James, Anna Kärrman, Audun Heggelund, Belén González-Gaya, Duncan Gray, Griet Jacobs, Leendert Vergeynst, Noora Perkola, Robert Carter, Stefan van Leeuwen and Ulrich Borchers (S95 [215]) as well as Ann Richard, Chris Grulke and the DSSTox curation team (US EPA, USA). This information is also given in Additional file 5. Thanks to the internal reviewers for their helpful comments. PJH retired from NIH NLM in 2020 and is now an NIH Special Volunteer in Toxicology and Environmental Health Sciences at NCBI. Where authors are identified as personnel of the International Agency for Research on Cancer/World Health Organization, the authors (VN, ReS) alone are responsible for the views expressed in this article and they do not necessarily represent the decisions, policy or views of the International Agency for Research on Cancer / World Health Organization. The views expressed in this manuscript are solely those of the authors and do not represent the policies of the U.S. Environmental Protection Agency or other agencies. Mention of trade names of commercial products should not be interpreted as an endorsement by the U.S. Environmental Protection Agency. This work has been internally reviewed at the US EPA and has been approved for publication. The NORMAN-SLE is a community resource built on an incredible amount of volunteer effort and rather limited financial resources. The entire NDS is supported through the NORMAN Association and project funding obtained by individual contributors. The integration with external resources such as PubChem, CompTox and Zenodo provides significant added value beyond the capabilities available to NORMAN. This approach is key to foster cooperation among existing regulatory frameworks, helping to share data and improve chemical risk assessment in the shift towards a “one substance, one assessment” paradigm []. With the EU strongly supporting Open and FAIR data, including large initiatives such as PARC [, ] and EIRENE [], along with Green Deal projects such as ZeroPM [], opportunities for further developments, consolidation and harmonization with broader EU efforts, including the future Open Data Platform appear promising. While the idea behind the NORMAN-SLE has broad support, the current infrastructure and personnel could not currently support, for instance, a requirement to host and thus make all European environmental research data Open and FAIR. If, however, the experiences in building the NORMAN-SLE could help contribute towards establishing such a platform (to which the NORMAN-SLE could contribute), this would be a huge benefit for research and researchers. The NORMAN-SLE project has received funding from the NORMAN Association via its joint proposal of activities. HMT and ELS are supported by the Luxembourg National Research Fund (FNR) for project A18/BM/12341006. ELS, PC, SEH, HPHA, ZW acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 101036756, project ZeroPM: Zero pollution of persistent, mobile substances. The work of EEB, TC, QL, BAS, PAT, and JZ was supported by the National Center for Biotechnology Information of the National Library of Medicine (NLM), National Institutes of Health (NIH). JOB is the recipient of an NHMRC Emerging Leadership Fellowship (EL1 2009209). KVT and JOB acknowledge the support of the Australian Research Council (DP190102476). The Queensland Alliance for Environmental Health Sciences, The University of Queensland, gratefully acknowledges the financial support of the Queensland Department of Health. NR is supported by a Miguel Servet contract (CP19/00060) from the Instituto de Salud Carlos III, co-financed by the European Union through Fondo Europeo de Desarrollo Regional (FEDER). MM and TR gratefully acknowledge financial support by the German Ministry for Education and Research (BMBF, Bonn) through the project “Persistente mobile organische Chemikalien in der aquatischen Umwelt (PROTECT)” (FKz: 02WRS1495 A/B/E). LiB acknowledges funding through a Research Foundation Flanders (FWO) fellowship (11G1821N). JAP and JMcL acknowledge financial support from the NIH for CCSCompendium (S50 CCSCOMPEND) via grants NIH NIGMS R01GM092218 and NIH NCI 1R03CA222452-01, as well as the Vanderbilt Chemical Biology Interface training program (5T32GM065086-16), plus use of resources of the Center for Innovative Technology (CIT) at Vanderbilt University. TJ was (partly) supported by the Dutch Research Council (NWO), project number 15747. UFZ (TS, MaK, WB) received funding from SOLUTIONS project (European Union’s Seventh Framework Programme for research, technological development and demonstration under Grant Agreement No. 603437). TS, MaK, WB, JPA, RCHV, JJV, JeM and MHL acknowledge HBM4EU (European Union’s Horizon 2020 research and innovation programme under the grant agreement no. 733032). TS acknowledges funding from NFDI4Chem—Chemistry Consortium in the NFDI (supported by the DFG under project number 441958208). TS, MaK, WB and EMLJ acknowledge NaToxAq (European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 722493). S36 and S63 (HPHA, SEH, MN, IS) were funded by the German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety (BMU) Project No. (FKZ) 3716 67 416 0, updates to S36 (HPHA, SEH, MN, IS) by the German Federal Ministry for the Environment, Nature Conservation, Nuclear Safety and Consumer Protection (BMUV) Project No. (FKZ) 3719 65 408 0. MiK acknowledges financial support from the EU Cohesion Funds within the project Monitoring and assessment of water body status (No. 310011A366 Phase III). The work related to S60 and S82 was funded by the Swiss Federal Office for the Environment (FOEN), KK and JH acknowledge the input of Kathrin Fenner’s group (Eawag) in compiling transformation products from European pesticides registration dossiers. DSW and YDF were supported by the Canadian Institutes of Health Research and Genome Canada. The work related to S49, S48 and S77 was funded by the MAVA foundation; for S77 also the Valery Foundation (KG, JaM, BG). DML acknowledges National Science Foundation Grant RUI-1306074. YL acknowledges the National Natural Science Foundation of China (Grant No. 22193051 and 21906177), and the Chinese Postdoctoral Science Foundation (Grant No. 2019M650863). WLC acknowledges research project 108C002871 supported by the Environmental Protection Administration, Executive Yuan, R.O.C. Taiwan (Taiwan EPA). JG acknowledges funding from the Swiss Federal Office for the Environment. AJW was funded by the U.S. Environmental Protection Agency. LuB, AC and FH acknowledge the financial support of the Generalitat Valenciana (Research Group of Excellence, Prometeo 2019/040). KN (S89) acknowledges the PhD fellowship through Marie Skłodowska-Curie grant agreement No. 859891 (MSCA-ETN). Exposome-Explorer (S34) was funded by the European Commission projects EXPOsOMICS FP7-KBBE-2012 [308610]; NutriTech FP7-KBBE-2011-5 [289511]; Joint Programming Initiative FOODBALL 2014–17. CP acknowledges grant RYC2020-028901-I funded by MCIN/AEI/1.0.13039/501100011033 and “ESF investing in your future”, and August T Larsson Guest Researcher Programme from the Swedish University of Agricultural Sciences. The work of ML, MaSe, SG, TL and WS creating and filling the STOFF-IDENT database (S2) mostly sponsored by the German Federal Ministry of Education and Research within the RiSKWa program (funding codes 02WRS1273 and 02WRS1354). XT acknowledges The National Food Institute, Technical University of Denmark. MaSch acknowledges funding by the RECETOX research infrastructure (the Czech Ministry of Education, Youth and Sports, LM2018121), the CETOCOEN PLUS project (CZ.02.1.01/0.0/0.0/15_003/0000469), and the CETOCOEN EXCELLENCE Teaming 2 project supported by the Czech ministry of Education, Youth and Sports (No CZ.02.1.01/0.0/0.0/17_043/0009632).

Funders	Funder number
Barbara Günthardt	S29
Beratungsinstitut Gefahrstoffe GmbH
Canadian Institutes of Health Research and Genome Canada
DSSTox curation team
EU Cohesion Funds	310011A366
FOEN
German Federal Ministry for the Environment, Nature Conservation
Guangbo Qu and Guibin Jiang
HPHA
International Agency for Research on Cancer/World Health Organization
Marie-Léonie Bohlen and Markus Schwarz
NFDI
NIH NCI	1R03CA222452-01
NIH NLM
NORMAN Association
Norwegian Geotechnical Institute
Nuclear Safety and Consumer Protection
Oliver Licht and Sylvia Escher
PFAS
R.O.C. Taiwan (Taiwan EPA
Rosa Sjerps
SEH
Sascha Lege (formerly University of Tübingen
Valery Foundation
Vanderbilt Chemical Biology Interface training program	5T32GM065086-16
National Science Foundation	RUI-1306074
National Institutes of Health
National Institute of General Medical Sciences	R01GM092218
U.S. National Library of Medicine
U.S. Environmental Protection Agency
World Health Organization
Center for Innovative Technology
Vanderbilt University
McGill University
Queensland Health	CP19/00060
Horizon 2020 Framework Programme	859891, 101036756, 722493, 733032, 603437
Seventh Framework Programme
MAVA Foundation
European Commission	289511, FP7-KBBE-2011-5, RYC2020-028901-I, FP7-KBBE-2012, MCIN/AEI/1.0.13039/501100011033, 308610
European Science Foundation
Australian Research Council	DP190102476
National Health and Medical Research Council	EL1 2009209
Deutsche Forschungsgemeinschaft	441958208
University of Queensland
National Natural Science Foundation of China	22193051, 21906177
Ministerstvo Školství, Mládeže a Tělovýchovy	LM2018121, CZ.02.1.01/0.0/0.0/15_003/0000469, CZ.02.1.01/0.0/0.0/17_043/0009632
Fonds National de la Recherche Luxembourg	A18/BM/12341006
Bundesministerium für Bildung und Forschung	02WRS1273, 02WRS1354, 02WRS1495 A/B/E
Chinese Academy of Sciences
China Postdoctoral Science Foundation	108C002871, 2019M650863
Fonds Wetenschappelijk Onderzoek	11G1821N
Nederlandse Organisatie voor Wetenschappelijk Onderzoek	15747
Bundesamt für Umwelt
Generalitat Valenciana	2019/040
Sveriges Lantbruksuniversitet
Instituto de Salud Carlos III
Baqai Medical University	FKZ) 3716 67 416 0
Environmental Protection Administration, Executive Yuan, R.O.C. Taiwan
European Regional Development Fund
Bundesministerium für Umwelt, Naturschutz, nukleare Sicherheit und Verbraucherschutz	FKZ) 3719 65 408 0
RECETOX Přírodovědecké Fakulty Masarykovy Univerzity

Keywords

Chemicals of emerging concern
Cheminformatics
Data exchange
Environmental contaminants
Exposomics
FAIR (Findable Accessible Interoperable Reusable) data
High resolution mass spectrometry
Non-target screening
Open science
Suspect screening

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1186/s12302-022-00680-6

Persistent URL (handle)

Persistent link

Cite this

Mohammed Taha, H., Aalizadeh, R., Alygizakis, N., Antignac, J. P., Arp, H. P. H., Bade, R., Baker, N., Belova, L., Bijlsma, L., Bolton, E. E., Brack, W., Celma, A., Chen, W. L., Cheng, T., Chirsir, P., Čirka, Ľ., D’Agostino, L. A., Djoumbou Feunang, Y., Dulio, V., ... Schymanski, E. L. (2022). The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Environmental Sciences Europe, 34(1), 1-26. Article 104. https://doi.org/10.1186/s12302-022-00680-6

@article{198dd9a6a86648d887a123726f7ff781,

title = "The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry",

abstract = "Background: The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for “suspect screening” lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. Results: The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA{\textquoteright}s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101). Conclusions: The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the “one substance, one assessment” approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/).",

keywords = "Chemicals of emerging concern, Cheminformatics, Data exchange, Environmental contaminants, Exposomics, FAIR (Findable Accessible Interoperable Reusable) data, High resolution mass spectrometry, Non-target screening, Open science, Suspect screening",

author = "{Mohammed Taha}, Hiba and Reza Aalizadeh and Nikiforos Alygizakis and Antignac, {Jean Philippe} and Arp, {Hans Peter H.} and Richard Bade and Nancy Baker and Lidia Belova and Lubertus Bijlsma and Bolton, {Evan E.} and Werner Brack and Alberto Celma and Chen, {Wen Ling} and Tiejun Cheng and Parviel Chirsir and {\v L}ubo{\v s} {\v C}irka and D{\textquoteright}Agostino, {Lisa A.} and {Djoumbou Feunang}, Yannick and Valeria Dulio and Stellan Fischer and Pablo Gago-Ferrero and Aikaterini Galani and Birgit Geueke and Natalia G{\l}owacka and Juliane Gl{\"u}ge and Ksenia Groh and Sylvia Grosse and Peter Haglund and Hakkinen, {Pertti J.} and Hale, {Sarah E.} and Felix Hernandez and Janssen, {Elisabeth M.L.} and Tim Jonkers and Karin Kiefer and Michal Kirchner and Jan Koschorreck and Martin Krauss and Jessy Krier and Lamoree, {Marja H.} and Marion Letzel and Thomas Letzel and Qingliang Li and James Little and Yanna Liu and Lunderberg, {David M.} and Martin, {Jonathan W.} and McEachran, {Andrew D.} and McLean, {John A.} and Christiane Meier and Jeroen Meijer and Frank Menger and Carla Merino and Jane Muncke and Matthias Muschket and Michael Neumann and Vanessa Neveu and Kelsey Ng and Herbert Oberacher and Jake O{\textquoteright}Brien and Peter Oswald and Martina Oswaldova and Picache, {Jaqueline A.} and Cristina Postigo and Noelia Ramirez and Thorsten Reemtsma and Justin Renaud and Pawel Rostkowski and Heinz R{\"u}del and Salek, {Reza M.} and Saer Samanipour and Martin Scheringer and Ivo Schliebner and Wolfgang Schulz and Tobias Schulze and Manfred Sengl and Shoemaker, {Benjamin A.} and Kerry Sims and Heinz Singer and Singh, {Randolph R.} and Mark Sumarah and Thiessen, {Paul A.} and Thomas, {Kevin V.} and Sonia Torres and Xenia Trier and {van Wezel}, {Annemarie P.} and Vermeulen, {Roel C.H.} and Vlaanderen, {Jelle J.} and {von der Ohe}, {Peter C.} and Zhanyun Wang and Williams, {Antony J.} and Willighagen, {Egon L.} and Wishart, {David S.} and Jian Zhang and Thomaidis, {Nikolaos S.} and Juliane Hollender and Jaroslav Slobodnik and Schymanski, {Emma L.}",

note = "Funding Information: The authors wish to acknowledge all contributors to the NORMAN-SLE and to the information behind the NORMAN-SLE who are not otherwise mentioned in this article. All authors thank those who contributed to all the open software and web services used in this study that have underpinned these efforts. We gratefully acknowledge the contributions of those we could no longer contact and/or who made contributions without our explicit knowledge. Specifically, the authors wish to acknowledge Anca Baesu (McGill University, Canada, S74), Barbara G{\"u}nthardt (formerly Eawag/Agroscope, S29), Jan Oltmanns (Forschungs- und Beratungsinstitut Gefahrstoffe GmbH (FoBiG), Germany) and Rosa Sjerps (Oasen, Netherlands, S5, S27) who were all approached to be authors and preferred to be acknowledged, along with Robert Mistrik (HighChem, Slovakia, S19) who was approached to be authors but did not respond. Further, the authors acknowledge Ton van Leerdam (KWR, Netherlands), Sascha Lege (formerly University of T{\"u}bingen, Germany, S1), Graham Peaslee (Notre Dame University, USA, S9), Guangbo Qu and Guibin Jiang (Chinese Academy of Sciences, China, S46), Marie-L{\'e}onie Bohlen and Markus Schwarz (FoBIG, Germany, S54), Oliver Licht and Sylvia Escher (Frauenhofer ITEM, Germany, S54), David Fabregat-Safont, Maria Ib{\'a}{\~n}ez and Juan Vincente Sancho (University Jaume I, Spain, S61), Raoul Wolf (Norwegian Geotechnical Institute, Norway, S90), the PFAS Analytical Exchange Steering Group members Alun James, Anna K{\"a}rrman, Audun Heggelund, Bel{\'e}n Gonz{\'a}lez-Gaya, Duncan Gray, Griet Jacobs, Leendert Vergeynst, Noora Perkola, Robert Carter, Stefan van Leeuwen and Ulrich Borchers (S95 [215]) as well as Ann Richard, Chris Grulke and the DSSTox curation team (US EPA, USA). This information is also given in Additional file 5. Thanks to the internal reviewers for their helpful comments. PJH retired from NIH NLM in 2020 and is now an NIH Special Volunteer in Toxicology and Environmental Health Sciences at NCBI. Where authors are identified as personnel of the International Agency for Research on Cancer/World Health Organization, the authors (VN, ReS) alone are responsible for the views expressed in this article and they do not necessarily represent the decisions, policy or views of the International Agency for Research on Cancer / World Health Organization. The views expressed in this manuscript are solely those of the authors and do not represent the policies of the U.S. Environmental Protection Agency or other agencies. Mention of trade names of commercial products should not be interpreted as an endorsement by the U.S. Environmental Protection Agency. This work has been internally reviewed at the US EPA and has been approved for publication. Funding Information: The NORMAN-SLE project has received funding from the NORMAN Association via its joint proposal of activities. HMT and ELS are supported by the Luxembourg National Research Fund (FNR) for project A18/BM/12341006. ELS, PC, SEH, HPHA, ZW acknowledge funding from the European Union{\textquoteright}s Horizon 2020 research and innovation programme under grant agreement No 101036756, project ZeroPM: Zero pollution of persistent, mobile substances. The work of EEB, TC, QL, BAS, PAT, and JZ was supported by the National Center for Biotechnology Information of the National Library of Medicine (NLM), National Institutes of Health (NIH). JOB is the recipient of an NHMRC Emerging Leadership Fellowship (EL1 2009209). KVT and JOB acknowledge the support of the Australian Research Council (DP190102476). The Queensland Alliance for Environmental Health Sciences, The University of Queensland, gratefully acknowledges the financial support of the Queensland Department of Health. NR is supported by a Miguel Servet contract (CP19/00060) from the Instituto de Salud Carlos III, co-financed by the European Union through Fondo Europeo de Desarrollo Regional (FEDER). MM and TR gratefully acknowledge financial support by the German Ministry for Education and Research (BMBF, Bonn) through the project “Persistente mobile organische Chemikalien in der aquatischen Umwelt (PROTECT)” (FKz: 02WRS1495 A/B/E). LiB acknowledges funding through a Research Foundation Flanders (FWO) fellowship (11G1821N). JAP and JMcL acknowledge financial support from the NIH for CCSCompendium (S50 CCSCOMPEND) via grants NIH NIGMS R01GM092218 and NIH NCI 1R03CA222452-01, as well as the Vanderbilt Chemical Biology Interface training program (5T32GM065086-16), plus use of resources of the Center for Innovative Technology (CIT) at Vanderbilt University. TJ was (partly) supported by the Dutch Research Council (NWO), project number 15747. UFZ (TS, MaK, WB) received funding from SOLUTIONS project (European Union{\textquoteright}s Seventh Framework Programme for research, technological development and demonstration under Grant Agreement No. 603437). TS, MaK, WB, JPA, RCHV, JJV, JeM and MHL acknowledge HBM4EU (European Union{\textquoteright}s Horizon 2020 research and innovation programme under the grant agreement no. 733032). TS acknowledges funding from NFDI4Chem—Chemistry Consortium in the NFDI (supported by the DFG under project number 441958208). TS, MaK, WB and EMLJ acknowledge NaToxAq (European Union{\textquoteright}s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 722493). S36 and S63 (HPHA, SEH, MN, IS) were funded by the German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety (BMU) Project No. (FKZ) 3716 67 416 0, updates to S36 (HPHA, SEH, MN, IS) by the German Federal Ministry for the Environment, Nature Conservation, Nuclear Safety and Consumer Protection (BMUV) Project No. (FKZ) 3719 65 408 0. MiK acknowledges financial support from the EU Cohesion Funds within the project Monitoring and assessment of water body status (No. 310011A366 Phase III). The work related to S60 and S82 was funded by the Swiss Federal Office for the Environment (FOEN), KK and JH acknowledge the input of Kathrin Fenner{\textquoteright}s group (Eawag) in compiling transformation products from European pesticides registration dossiers. DSW and YDF were supported by the Canadian Institutes of Health Research and Genome Canada. The work related to S49, S48 and S77 was funded by the MAVA foundation; for S77 also the Valery Foundation (KG, JaM, BG). DML acknowledges National Science Foundation Grant RUI-1306074. YL acknowledges the National Natural Science Foundation of China (Grant No. 22193051 and 21906177), and the Chinese Postdoctoral Science Foundation (Grant No. 2019M650863). WLC acknowledges research project 108C002871 supported by the Environmental Protection Administration, Executive Yuan, R.O.C. Taiwan (Taiwan EPA). JG acknowledges funding from the Swiss Federal Office for the Environment. AJW was funded by the U.S. Environmental Protection Agency. LuB, AC and FH acknowledge the financial support of the Generalitat Valenciana (Research Group of Excellence, Prometeo 2019/040). KN (S89) acknowledges the PhD fellowship through Marie Sk{\l}odowska-Curie grant agreement No. 859891 (MSCA-ETN). Exposome-Explorer (S34) was funded by the European Commission projects EXPOsOMICS FP7-KBBE-2012 [308610]; NutriTech FP7-KBBE-2011-5 [289511]; Joint Programming Initiative FOODBALL 2014–17. CP acknowledges grant RYC2020-028901-I funded by MCIN/AEI/1.0.13039/501100011033 and “ESF investing in your future”, and August T Larsson Guest Researcher Programme from the Swedish University of Agricultural Sciences. The work of ML, MaSe, SG, TL and WS creating and filling the STOFF-IDENT database (S2) mostly sponsored by the German Federal Ministry of Education and Research within the RiSKWa program (funding codes 02WRS1273 and 02WRS1354). XT acknowledges The National Food Institute, Technical University of Denmark. MaSch acknowledges funding by the RECETOX research infrastructure (the Czech Ministry of Education, Youth and Sports, LM2018121), the CETOCOEN PLUS project (CZ.02.1.01/0.0/0.0/15_003/0000469), and the CETOCOEN EXCELLENCE Teaming 2 project supported by the Czech ministry of Education, Youth and Sports (No CZ.02.1.01/0.0/0.0/17_043/0009632). Publisher Copyright: {\textcopyright} 2022, The Author(s).",

year = "2022",

month = dec,

doi = "10.1186/s12302-022-00680-6",

language = "English",

volume = "34",

pages = "1--26",

journal = "Environmental Sciences Europe",

issn = "2190-4707",

publisher = "Springer Verlag",

number = "1",

}

Mohammed Taha, H, Aalizadeh, R, Alygizakis, N, Antignac, JP, Arp, HPH, Bade, R, Baker, N, Belova, L, Bijlsma, L, Bolton, EE, Brack, W, Celma, A, Chen, WL, Cheng, T, Chirsir, P, Čirka, Ľ, D’Agostino, LA, Djoumbou Feunang, Y, Dulio, V, Fischer, S, Gago-Ferrero, P, Galani, A, Geueke, B, Głowacka, N, Glüge, J, Groh, K, Grosse, S, Haglund, P, Hakkinen, PJ, Hale, SE, Hernandez, F, Janssen, EML, Jonkers, T, Kiefer, K, Kirchner, M, Koschorreck, J, Krauss, M, Krier, J, Lamoree, MH, Letzel, M, Letzel, T, Li, Q, Little, J, Liu, Y, Lunderberg, DM, Martin, JW, McEachran, AD, McLean, JA, Meier, C, Meijer, J, Menger, F, Merino, C, Muncke, J, Muschket, M, Neumann, M, Neveu, V, Ng, K, Oberacher, H, O’Brien, J, Oswald, P, Oswaldova, M, Picache, JA, Postigo, C, Ramirez, N, Reemtsma, T, Renaud, J, Rostkowski, P, Rüdel, H, Salek, RM, Samanipour, S, Scheringer, M, Schliebner, I, Schulz, W, Schulze, T, Sengl, M, Shoemaker, BA, Sims, K, Singer, H, Singh, RR, Sumarah, M, Thiessen, PA, Thomas, KV, Torres, S, Trier, X, van Wezel, AP, Vermeulen, RCH, Vlaanderen, JJ, von der Ohe, PC, Wang, Z, Williams, AJ, Willighagen, EL, Wishart, DS, Zhang, J, Thomaidis, NS, Hollender, J, Slobodnik, J & Schymanski, EL 2022, 'The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry', Environmental Sciences Europe, vol. 34, no. 1, 104, pp. 1-26. https://doi.org/10.1186/s12302-022-00680-6

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. / Mohammed Taha, Hiba; Aalizadeh, Reza; Alygizakis, Nikiforos et al.
In: Environmental Sciences Europe, Vol. 34, No. 1, 104, 12.2022, p. 1-26.

Research output: Contribution to Journal › Article › Academic › peer-review

TY - JOUR

T1 - The NORMAN Suspect List Exchange (NORMAN-SLE)

T2 - facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

AU - Mohammed Taha, Hiba

AU - Aalizadeh, Reza

AU - Alygizakis, Nikiforos

AU - Antignac, Jean Philippe

AU - Arp, Hans Peter H.

AU - Bade, Richard

AU - Baker, Nancy

AU - Belova, Lidia

AU - Bijlsma, Lubertus

AU - Bolton, Evan E.

AU - Brack, Werner

AU - Celma, Alberto

AU - Chen, Wen Ling

AU - Cheng, Tiejun

AU - Chirsir, Parviel

AU - Čirka, Ľuboš

AU - D’Agostino, Lisa A.

AU - Djoumbou Feunang, Yannick

AU - Dulio, Valeria

AU - Fischer, Stellan

AU - Gago-Ferrero, Pablo

AU - Galani, Aikaterini

AU - Geueke, Birgit

AU - Głowacka, Natalia

AU - Glüge, Juliane

AU - Groh, Ksenia

AU - Grosse, Sylvia

AU - Haglund, Peter

AU - Hakkinen, Pertti J.

AU - Hale, Sarah E.

AU - Hernandez, Felix

AU - Janssen, Elisabeth M.L.

AU - Jonkers, Tim

AU - Kiefer, Karin

AU - Kirchner, Michal

AU - Koschorreck, Jan

AU - Krauss, Martin

AU - Krier, Jessy

AU - Lamoree, Marja H.

AU - Letzel, Marion

AU - Letzel, Thomas

AU - Li, Qingliang

AU - Little, James

AU - Liu, Yanna

AU - Lunderberg, David M.

AU - Martin, Jonathan W.

AU - McEachran, Andrew D.

AU - McLean, John A.

AU - Meier, Christiane

AU - Meijer, Jeroen

AU - Menger, Frank

AU - Merino, Carla

AU - Muncke, Jane

AU - Muschket, Matthias

AU - Neumann, Michael

AU - Neveu, Vanessa

AU - Ng, Kelsey

AU - Oberacher, Herbert

AU - O’Brien, Jake

AU - Oswald, Peter

AU - Oswaldova, Martina

AU - Picache, Jaqueline A.

AU - Postigo, Cristina

AU - Ramirez, Noelia

AU - Reemtsma, Thorsten

AU - Renaud, Justin

AU - Rostkowski, Pawel

AU - Rüdel, Heinz

AU - Salek, Reza M.

AU - Samanipour, Saer

AU - Scheringer, Martin

AU - Schliebner, Ivo

AU - Schulz, Wolfgang

AU - Schulze, Tobias

AU - Sengl, Manfred

AU - Shoemaker, Benjamin A.

AU - Sims, Kerry

AU - Singer, Heinz

AU - Singh, Randolph R.

AU - Sumarah, Mark

AU - Thiessen, Paul A.

AU - Thomas, Kevin V.

AU - Torres, Sonia

AU - Trier, Xenia

AU - van Wezel, Annemarie P.

AU - Vermeulen, Roel C.H.

AU - Vlaanderen, Jelle J.

AU - von der Ohe, Peter C.

AU - Wang, Zhanyun

AU - Williams, Antony J.

AU - Willighagen, Egon L.

AU - Wishart, David S.

AU - Zhang, Jian

AU - Thomaidis, Nikolaos S.

AU - Hollender, Juliane

AU - Slobodnik, Jaroslav

AU - Schymanski, Emma L.

N1 - Funding Information: The authors wish to acknowledge all contributors to the NORMAN-SLE and to the information behind the NORMAN-SLE who are not otherwise mentioned in this article. All authors thank those who contributed to all the open software and web services used in this study that have underpinned these efforts. We gratefully acknowledge the contributions of those we could no longer contact and/or who made contributions without our explicit knowledge. Specifically, the authors wish to acknowledge Anca Baesu (McGill University, Canada, S74), Barbara Günthardt (formerly Eawag/Agroscope, S29), Jan Oltmanns (Forschungs- und Beratungsinstitut Gefahrstoffe GmbH (FoBiG), Germany) and Rosa Sjerps (Oasen, Netherlands, S5, S27) who were all approached to be authors and preferred to be acknowledged, along with Robert Mistrik (HighChem, Slovakia, S19) who was approached to be authors but did not respond. Further, the authors acknowledge Ton van Leerdam (KWR, Netherlands), Sascha Lege (formerly University of Tübingen, Germany, S1), Graham Peaslee (Notre Dame University, USA, S9), Guangbo Qu and Guibin Jiang (Chinese Academy of Sciences, China, S46), Marie-Léonie Bohlen and Markus Schwarz (FoBIG, Germany, S54), Oliver Licht and Sylvia Escher (Frauenhofer ITEM, Germany, S54), David Fabregat-Safont, Maria Ibáñez and Juan Vincente Sancho (University Jaume I, Spain, S61), Raoul Wolf (Norwegian Geotechnical Institute, Norway, S90), the PFAS Analytical Exchange Steering Group members Alun James, Anna Kärrman, Audun Heggelund, Belén González-Gaya, Duncan Gray, Griet Jacobs, Leendert Vergeynst, Noora Perkola, Robert Carter, Stefan van Leeuwen and Ulrich Borchers (S95 [215]) as well as Ann Richard, Chris Grulke and the DSSTox curation team (US EPA, USA). This information is also given in Additional file 5. Thanks to the internal reviewers for their helpful comments. PJH retired from NIH NLM in 2020 and is now an NIH Special Volunteer in Toxicology and Environmental Health Sciences at NCBI. Where authors are identified as personnel of the International Agency for Research on Cancer/World Health Organization, the authors (VN, ReS) alone are responsible for the views expressed in this article and they do not necessarily represent the decisions, policy or views of the International Agency for Research on Cancer / World Health Organization. The views expressed in this manuscript are solely those of the authors and do not represent the policies of the U.S. Environmental Protection Agency or other agencies. Mention of trade names of commercial products should not be interpreted as an endorsement by the U.S. Environmental Protection Agency. This work has been internally reviewed at the US EPA and has been approved for publication. Funding Information: The NORMAN-SLE project has received funding from the NORMAN Association via its joint proposal of activities. HMT and ELS are supported by the Luxembourg National Research Fund (FNR) for project A18/BM/12341006. ELS, PC, SEH, HPHA, ZW acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 101036756, project ZeroPM: Zero pollution of persistent, mobile substances. The work of EEB, TC, QL, BAS, PAT, and JZ was supported by the National Center for Biotechnology Information of the National Library of Medicine (NLM), National Institutes of Health (NIH). JOB is the recipient of an NHMRC Emerging Leadership Fellowship (EL1 2009209). KVT and JOB acknowledge the support of the Australian Research Council (DP190102476). The Queensland Alliance for Environmental Health Sciences, The University of Queensland, gratefully acknowledges the financial support of the Queensland Department of Health. NR is supported by a Miguel Servet contract (CP19/00060) from the Instituto de Salud Carlos III, co-financed by the European Union through Fondo Europeo de Desarrollo Regional (FEDER). MM and TR gratefully acknowledge financial support by the German Ministry for Education and Research (BMBF, Bonn) through the project “Persistente mobile organische Chemikalien in der aquatischen Umwelt (PROTECT)” (FKz: 02WRS1495 A/B/E). LiB acknowledges funding through a Research Foundation Flanders (FWO) fellowship (11G1821N). JAP and JMcL acknowledge financial support from the NIH for CCSCompendium (S50 CCSCOMPEND) via grants NIH NIGMS R01GM092218 and NIH NCI 1R03CA222452-01, as well as the Vanderbilt Chemical Biology Interface training program (5T32GM065086-16), plus use of resources of the Center for Innovative Technology (CIT) at Vanderbilt University. TJ was (partly) supported by the Dutch Research Council (NWO), project number 15747. UFZ (TS, MaK, WB) received funding from SOLUTIONS project (European Union’s Seventh Framework Programme for research, technological development and demonstration under Grant Agreement No. 603437). TS, MaK, WB, JPA, RCHV, JJV, JeM and MHL acknowledge HBM4EU (European Union’s Horizon 2020 research and innovation programme under the grant agreement no. 733032). TS acknowledges funding from NFDI4Chem—Chemistry Consortium in the NFDI (supported by the DFG under project number 441958208). TS, MaK, WB and EMLJ acknowledge NaToxAq (European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 722493). S36 and S63 (HPHA, SEH, MN, IS) were funded by the German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety (BMU) Project No. (FKZ) 3716 67 416 0, updates to S36 (HPHA, SEH, MN, IS) by the German Federal Ministry for the Environment, Nature Conservation, Nuclear Safety and Consumer Protection (BMUV) Project No. (FKZ) 3719 65 408 0. MiK acknowledges financial support from the EU Cohesion Funds within the project Monitoring and assessment of water body status (No. 310011A366 Phase III). The work related to S60 and S82 was funded by the Swiss Federal Office for the Environment (FOEN), KK and JH acknowledge the input of Kathrin Fenner’s group (Eawag) in compiling transformation products from European pesticides registration dossiers. DSW and YDF were supported by the Canadian Institutes of Health Research and Genome Canada. The work related to S49, S48 and S77 was funded by the MAVA foundation; for S77 also the Valery Foundation (KG, JaM, BG). DML acknowledges National Science Foundation Grant RUI-1306074. YL acknowledges the National Natural Science Foundation of China (Grant No. 22193051 and 21906177), and the Chinese Postdoctoral Science Foundation (Grant No. 2019M650863). WLC acknowledges research project 108C002871 supported by the Environmental Protection Administration, Executive Yuan, R.O.C. Taiwan (Taiwan EPA). JG acknowledges funding from the Swiss Federal Office for the Environment. AJW was funded by the U.S. Environmental Protection Agency. LuB, AC and FH acknowledge the financial support of the Generalitat Valenciana (Research Group of Excellence, Prometeo 2019/040). KN (S89) acknowledges the PhD fellowship through Marie Skłodowska-Curie grant agreement No. 859891 (MSCA-ETN). Exposome-Explorer (S34) was funded by the European Commission projects EXPOsOMICS FP7-KBBE-2012 [308610]; NutriTech FP7-KBBE-2011-5 [289511]; Joint Programming Initiative FOODBALL 2014–17. CP acknowledges grant RYC2020-028901-I funded by MCIN/AEI/1.0.13039/501100011033 and “ESF investing in your future”, and August T Larsson Guest Researcher Programme from the Swedish University of Agricultural Sciences. The work of ML, MaSe, SG, TL and WS creating and filling the STOFF-IDENT database (S2) mostly sponsored by the German Federal Ministry of Education and Research within the RiSKWa program (funding codes 02WRS1273 and 02WRS1354). XT acknowledges The National Food Institute, Technical University of Denmark. MaSch acknowledges funding by the RECETOX research infrastructure (the Czech Ministry of Education, Youth and Sports, LM2018121), the CETOCOEN PLUS project (CZ.02.1.01/0.0/0.0/15_003/0000469), and the CETOCOEN EXCELLENCE Teaming 2 project supported by the Czech ministry of Education, Youth and Sports (No CZ.02.1.01/0.0/0.0/17_043/0009632). Publisher Copyright: © 2022, The Author(s).

PY - 2022/12

Y1 - 2022/12

N2 - Background: The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for “suspect screening” lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. Results: The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101). Conclusions: The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the “one substance, one assessment” approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/).

AB - Background: The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for “suspect screening” lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. Results: The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101). Conclusions: The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the “one substance, one assessment” approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/).

KW - Chemicals of emerging concern

KW - Cheminformatics

KW - Data exchange

KW - Environmental contaminants

KW - Exposomics

KW - FAIR (Findable Accessible Interoperable Reusable) data

KW - High resolution mass spectrometry

KW - Non-target screening

KW - Open science

KW - Suspect screening

UR - http://www.scopus.com/inward/record.url?scp=85140599341&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85140599341&partnerID=8YFLogxK

U2 - 10.1186/s12302-022-00680-6

DO - 10.1186/s12302-022-00680-6

M3 - Article

SN - 2190-4707

VL - 34

SP - 1

EP - 26

JO - Environmental Sciences Europe

JF - Environmental Sciences Europe

IS - 1

M1 - 104

ER -

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Abstract

Bibliographical note

Funding

Keywords

UN SDGs

Access to Document

Persistent URL (handle)

Other files and links

Fingerprint

Additional file 5 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Additional file 3 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Additional file 4 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Cite this

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Abstract

Bibliographical note

Funding

Keywords

UN SDGs

Access to Document

Persistent URL (handle)

Other files and links

Fingerprint

Datasets

Additional file 5 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Additional file 3 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Additional file 4 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Cite this