The NORMAN Suspect List Exchange (NORMAN-SLE)

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

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Standard

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

I: Environmental Sciences Europe, Bind 34, 104, 2022.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

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, bind 34, 104. https://doi.org/10.1186/s12302-022-00680-6

APA

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, [104]. https://doi.org/10.1186/s12302-022-00680-6

Vancouver

Mohammed Taha H, Aalizadeh R, Alygizakis N, Antignac JP, Arp HPH, Bade R o.a. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Environmental Sciences Europe. 2022;34. 104. https://doi.org/10.1186/s12302-022-00680-6

Author

Mohammed Taha, Hiba ; Aalizadeh, Reza ; Alygizakis, Nikiforos ; Antignac, Jean Philippe ; Arp, Hans Peter H. ; Bade, Richard ; Baker, Nancy ; Belova, Lidia ; Bijlsma, Lubertus ; Bolton, Evan E. ; Brack, Werner ; Celma, Alberto ; Chen, Wen Ling ; Cheng, Tiejun ; Chirsir, Parviel ; Čirka, Ľuboš ; D’Agostino, Lisa A. ; Djoumbou Feunang, Yannick ; Dulio, Valeria ; Fischer, Stellan ; Gago-Ferrero, Pablo ; Galani, Aikaterini ; Geueke, Birgit ; Głowacka, Natalia ; Glüge, Juliane ; Groh, Ksenia ; Grosse, Sylvia ; Haglund, Peter ; Hakkinen, Pertti J. ; Hale, Sarah E. ; Hernandez, Felix ; Janssen, Elisabeth M.L. ; Jonkers, Tim ; Kiefer, Karin ; Kirchner, Michal ; Koschorreck, Jan ; Krauss, Martin ; Krier, Jessy ; Lamoree, Marja H. ; Letzel, Marion ; Letzel, Thomas ; Li, Qingliang ; Little, James ; Liu, Yanna ; Lunderberg, David M. ; Martin, Jonathan W. ; McEachran, Andrew D. ; McLean, John A. ; Meier, Christiane ; Meijer, Jeroen ; Menger, Frank ; Merino, Carla ; Muncke, Jane ; Muschket, Matthias ; Neumann, Michael ; Neveu, Vanessa ; Ng, Kelsey ; Oberacher, Herbert ; O’Brien, Jake ; Oswald, Peter ; Oswaldova, Martina ; Picache, Jaqueline A. ; Postigo, Cristina ; Ramirez, Noelia ; Reemtsma, Thorsten ; Renaud, Justin ; Rostkowski, Pawel ; Rüdel, Heinz ; Salek, Reza M. ; Samanipour, Saer ; Scheringer, Martin ; Schliebner, Ivo ; Schulz, Wolfgang ; Schulze, Tobias ; Sengl, Manfred ; Shoemaker, Benjamin A. ; Sims, Kerry ; Singer, Heinz ; Singh, Randolph R. ; Sumarah, Mark ; Thiessen, Paul A. ; Thomas, Kevin V. ; Torres, Sonia ; Trier, Xenia ; van Wezel, Annemarie P. ; Vermeulen, Roel C.H. ; Vlaanderen, Jelle J. ; von der Ohe, Peter C. ; Wang, Zhanyun ; Williams, Antony J. ; Willighagen, Egon L. ; Wishart, David S. ; Zhang, Jian ; Thomaidis, Nikolaos S. ; Hollender, Juliane ; Slobodnik, Jaroslav ; Schymanski, Emma L. / The NORMAN Suspect List Exchange (NORMAN-SLE) : facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. I: Environmental Sciences Europe. 2022 ; Bind 34.

Bibtex

@article{a8beabf52592400e944823f47d52cdec,

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 = "Publisher Copyright: {\textcopyright} 2022, The Author(s).",

year = "2022",

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

language = "English",

volume = "34",

journal = "Environmental Sciences Europe",

issn = "2190-4707",

publisher = "Springer Verlag",

}

RIS

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.

PY - 2022

Y1 - 2022

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

U2 - 10.1186/s12302-022-00680-6

DO - 10.1186/s12302-022-00680-6

M3 - Journal article

C2 - 36284750

AN - SCOPUS:85140599341

VL - 34

JO - Environmental Sciences Europe

JF - Environmental Sciences Europe

SN - 2190-4707

M1 - 104

ER -

ID: 324310506