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

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, and Schymanski, Emma L.

Published
2022
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10. Getting in control of persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances to protect water resources: strategies from diverse perspectives

Author

Hale, Sarah E., Neumann, Michael, Schliebner, Ivo, Schulze, Jona, Averbeck, Frauke S., Castell-Exner, Claudia, Collard, Marie, Drmač, Dunja, Hartmann, Julia, Hofman-Caris, Roberta, Hollender, Juliane, de Jonge, Martin, Kullick, Thomas, Lennquist, Anna, Letzel, Thomas, Nödler, Karsten, Pawlowski, Sascha, Reineke, Ninja, Rorije, Emiel, Scheurer, Marco, Sigmund, Gabriel, Timmer, Harrie, Trier, Xenia, Verbruggen, Eric, and Arp, Hans Peter H.

Published
2022
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11. Should Transformation Products Change the Way We Manage Chemicals?

Author

Zahn, Daniel, primary, Arp, Hans Peter H., additional, Fenner, Kathrin, additional, Georgi, Anett, additional, Hafner, Jasmin, additional, Hale, Sarah E., additional, Hollender, Juliane, additional, Letzel, Thomas, additional, Schymanski, Emma L., additional, Sigmund, Gabriel, additional, and Reemtsma, Thorsten, additional

Published
2024
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13. Letter to the editor regarding Collard et al. (2023): 'Persistence and mobility (defined as organic-carbon partitioning) do not correlate to the detection of substances found in surface and groundwater: Criticism of the regulatory concept of persistent and mobile substances'

Author

Arp, Hans Peter H, Wolf, Raoul, Hale, Sarah E, Baskaran, Sivani, Glüge, Juliane, Scheringer, Martin, Trier, Xenia, Cousins, Ian T, Timmer, Harrie, Hofman-Caris, Roberta, Lennquist, Anna, Bannink, André D, Stroomberg, Gerard J, Sjerps, Rosa M A, Montes, Rosa, Rodil, Rosario, Quintana, José Benito, Zahn, Daniel, Gallard, Hervé, Mohr, Tobias, Schliebner, Ivo, Neumann, Michael, Arp, Hans Peter H, Wolf, Raoul, Hale, Sarah E, Baskaran, Sivani, Glüge, Juliane, Scheringer, Martin, Trier, Xenia, Cousins, Ian T, Timmer, Harrie, Hofman-Caris, Roberta, Lennquist, Anna, Bannink, André D, Stroomberg, Gerard J, Sjerps, Rosa M A, Montes, Rosa, Rodil, Rosario, Quintana, José Benito, Zahn, Daniel, Gallard, Hervé, Mohr, Tobias, Schliebner, Ivo, and Neumann, Michael

Published
2024

14. Letter to the editor regarding Collard et al. (2023): “Persistence and mobility (defined as organic-carbon partitioning) do not correlate to the detection of substances found in surface and groundwater: Criticism of the regulatory concept of persistent and mobile substances”

Author

Arp, Hans Peter H., primary, Wolf, Raoul, additional, Hale, Sarah E., additional, Baskaran, Sivani, additional, Glüge, Juliane, additional, Scheringer, Martin, additional, Trier, Xenia, additional, Cousins, Ian T., additional, Timmer, Harrie, additional, Hofman-Caris, Roberta, additional, Lennquist, Anna, additional, Bannink, André D., additional, Stroomberg, Gerard J., additional, Sjerps, Rosa M.A., additional, Montes, Rosa, additional, Rodil, Rosario, additional, Quintana, José Benito, additional, Zahn, Daniel, additional, Gallard, Hervé, additional, Mohr, Tobias, additional, Schliebner, Ivo, additional, and Neumann, Michael, additional

Published
2024
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17. Effect‐Directed Analysis Based on Transthyretin Binding Activity of Per‐ and Polyfluoroalkyl Substances in a Contaminated Sediment Extract.

Author

Langberg, Håkon A., Choyke, Sarah, Hale, Sarah E., Koekkoek, Jacco, Cenijn, Peter H., Lamoree, Marja H., Rundberget, Thomas, Jartun, Morten, Breedveld, Gijs D., Jenssen, Bjørn M., Higgins, Christopher P., and Hamers, Timo

Subjects
FLUOROALKYL compounds, CONTAMINATED sediments, PERFLUOROOCTANOIC acid, TRANSTHYRETIN, ENVIRONMENTAL chemistry, TOXICITY testing, RF values (Chromatography)
Abstract

Only a fraction of the total number of per‐ and polyfluoroalkyl substances (PFAS) are monitored on a routine basis using targeted chemical analyses. We report on an approach toward identifying bioactive substances in environmental samples using effect‐directed analysis by combining toxicity testing, targeted chemical analyses, and suspect screening. PFAS compete with the thyroid hormone thyroxin (T4) for binding to its distributor protein transthyretin (TTR). Therefore, a TTR‐binding bioassay was used to prioritize unknown features for chemical identification in a PFAS‐contaminated sediment sample collected downstream of a factory producing PFAS‐coated paper. First, the TTR‐binding potencies of 31 analytical PFAS standards were determined. Potencies varied between PFAS depending on carbon chain length, functional group, and, for precursors to perfluoroalkyl sulfonic acids (PFSA), the size or number of atoms in the group(s) attached to the nitrogen. The most potent PFAS were the seven‐ and eight‐carbon PFSA, perfluoroheptane sulfonic acid (PFHpS) and perfluorooctane sulfonic acid (PFOS), and the eight‐carbon perfluoroalkyl carboxylic acid (PFCA), perfluorooctanoic acid (PFOA), which showed approximately four‐ and five‐times weaker potencies, respectively, compared with the native ligand T4. For some of the other PFAS tested, TTR‐binding potencies were weak or not observed at all. For the environmental sediment sample, not all of the bioactivity observed in the TTR‐binding assay could be assigned to the PFAS quantified using targeted chemical analyses. Therefore, suspect screening was applied to the retention times corresponding to observed TTR binding, and five candidates were identified. Targeted analyses showed that the sediment was dominated by the di‐substituted phosphate ester of N‐ethyl perfluorooctane sulfonamido ethanol (SAmPAP diester), whereas it was not bioactive in the assay. SAmPAP diester has the potential for (bio)transformation into smaller PFAS, including PFOS. Therefore, when it comes to TTR binding, the hazard associated with this substance is likely through (bio)transformation into more potent transformation products. Environ Toxicol Chem 2024;43:245–258. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC. [ABSTRACT FROM AUTHOR]

Published
2024
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18. Effect‐Directed Analysis Based on Transthyretin Binding Activity of Per‐ and Polyfluoroalkyl Substances (PFAS) in a Contaminated Sediment Extract

Author

Langberg, Håkon A., primary, Choyke, Sarah, additional, Hale, Sarah E., additional, Koekkoek, Jacco, additional, Cenijn, Peter H., additional, Lamoree, Marja H., additional, Rundberget, Thomas, additional, Jartun, Morten, additional, Breedveld, Gijs D., additional, Jenssen, Bjørn M., additional, Higgins, Christopher P., additional, and Hamers, Timo, additional

Published
2023
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22. The 'cleanventory': Identifying the Chemical Structures of Persistent and Mobile Substances on Global Trade Markets

Author

Wolf, Raoul, Baskaran, Sivani, Schymanski, Emma L., Wang, Zhanyun, Arp, Hans Peter H., and Hale, Sarah E.

Subjects
Cheminformatics, PMT, chemical inventory, chemical identifiers
Abstract

To advance the ability to assess, manage and regulate the use of persistent and mobile substances, a sound overview of the chemical diversity regulated within global trade markets is needed. A pioneering effort to index the global chemical inventory, i.e., all chemicals registered on (super-)national economic trade markets, was first published by Wang et al. in 2020. As part of the H2020 project ZeroPM (https://zeropm.eu), a fully reproducible and open-source re-construction of the global chemical inventory – the "cleanventory" – is being developed to help identify, prioritize, and group persistent and mobile substances. So far, 18 inventories in twelve trade markets are considered. These contain over 960,000 inventory entries with over 215,000 unique CAS Registry Numbers and over 360,000 unique chemical names. To convert inventory identifiers to InChI strings (i.e., structural information), three freely available API services are used: PubChem (compound and substance domain), CAS Common Chemistry, and NCI/CADD Chemical Identifier Resolver. So far, over 320,000 unique InChI strings were retrieved by the API services. After a weighted consensus ranking approach, 160,000 unique InChI strings are identified as being the "most probable" chemical structure for the given inventory entries. The work on the "cleanventory" continues and new data sources will be incorporated. This will enable effective prioritization and substance grouping strategies to help regulators, industry and the water treatment sector achive zero pollution of persistent and mobile substances.

Published
2023
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24. Evaluating Nature-Based Solutions for Water Management in Peri-Urban Areas

Author

Hale, Sarah E., primary, Tann, Loretta von der, additional, Rebelo, Alanna J., additional, Esler, Karen J., additional, de Lima, Ana Paula Morais, additional, Rodrigues, Aline F., additional, Latawiec, Agnieszka Ewa, additional, Ramírez-Agudelo, Nancy Andrea, additional, Bosch, Elisabet Roca, additional, Suleiman, Lina, additional, Singh, Nandita, additional, and Oen, Amy M. P., additional

Published
2023
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25. Avoiding the Next Silent Spring: Our Chemical Past, Present, and Future

Author

European Union Horizon 2020 research and innovation programme, Grant Agreement No 101036756, ZeroPM [sponsor], Luxembourg National Research Fund (FNR), project A18/BM/12341006 [sponsor], Institute of Advanced Studies at the University of Luxembourg, project LuxTIME [sponsor], Arp, Hans Peter H., Aurich, Dagny, Schymanski, Emma, Sims, Kerry, Hale, Sarah E., European Union Horizon 2020 research and innovation programme, Grant Agreement No 101036756, ZeroPM [sponsor], Luxembourg National Research Fund (FNR), project A18/BM/12341006 [sponsor], Institute of Advanced Studies at the University of Luxembourg, project LuxTIME [sponsor], Arp, Hans Peter H., Aurich, Dagny, Schymanski, Emma, Sims, Kerry, and Hale, Sarah E.

Abstract

Rachel Carson's Silent Spring,1 published just over 60 years ago, outlined how the indiscriminate use of dichlorodiphenyltrichloroethane (DDT), a potent, environmentally persistent insecticide, was damaging the world's ecosystems, animals and food supply. There were many other chemicals more persistent than DDT accumulating in the environment when Carson was writing, including per- and polyfluoroalkyl substances (PFAS). Whilst man-made, PFAS were not intended to cause harm, contrary to pesticides such as DDT. Today, ambient PFAS levels are contaminating rain, soil and drinking water resources worldwide to such an extent that they have caused substantial, irreversible health and environmental damage.2 Like DDT, PFAS were long in use by the time Rachel Carson was writing Silent Spring (see Figure 1). However, their environmental presence went unnoticed by Carson and other contemporary environmental researchers. PFAS were entering the environment under the radar, except to those who were manufacturing and emitting them.3

Published
2023

26. Evaluating Nature-Based Solutions for Water Management in Peri-Urban Areas

Author

Hale, Sarah E., von der Tann, Loretta, Rebelo, Alanna J., Esler, Karen J., de Lima, Ana Paula Morais, Rodrigues, Aline F., Latawiec, Agnieszka Ewa, Ramirez-Agudelo, Nancy Andrea, Bosch, Elisabet Roca, Suleiman, Lina, Singh, Nandita, Oen, Amy M. P., Hale, Sarah E., von der Tann, Loretta, Rebelo, Alanna J., Esler, Karen J., de Lima, Ana Paula Morais, Rodrigues, Aline F., Latawiec, Agnieszka Ewa, Ramirez-Agudelo, Nancy Andrea, Bosch, Elisabet Roca, Suleiman, Lina, Singh, Nandita, and Oen, Amy M. P.

Abstract

The term nature-based solutions (NBS) has gained traction in recent years and has been applied in many settings. There are few comprehensive assessment frameworks available that can guide NBS planning and implementation while at the same time capturing the short- and long-term impacts and benefits of the NBS. Here a recently presented framework, which builds on the theory of change and was developed to assess NBS at different phases of the project cycle, was applied to seven diverse case studies. The case studies addressed water quality and quantity issues in peri-urban areas across the global north and south. Framework indicators covering the sustainability dimensions (environmental, social and economic) were assessed at three stages of the framework: context, process and results. The work sought to investigate the following research objectives: (1) Can this framework be robust and yet flexible enough to be applied across a diverse selection of NBS projects that are at different phases of the project cycle and address different kinds of water challenges within varied ecological, social and economic contexts? (2) Is it possible to draw generalisations from a comparative analysis of the application of the framework to the case studies? Results showed that the framework was able to be applied to the case studies; however, their diversity showed that NBS projects designed in one context, for a specific purpose in a specific location, can not necessarily be transferred easily to another location. There were several process-based indicators that were universally significant for the case studies, including expertise, skills and knowledge of the involved actors, roles and responsibilities of involved actors and political support. The result-based indicators were case study-specific when environmental indicators were case study-specific, and important social indicators were environmental identity and recreational values. Overall, the use of the framework benefits the recogn, QC 20230404

Published
2023
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27. Letter to the editor regarding Collard et al. (2023): “Persistence and mobility (defined as organic-carbon partitioning) do not correlate to the detection of substances found in surface and groundwater: Criticism of the regulatory concept of persistent and mobile substances”

Author

Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía, Universidade de Santiago de Compostela. Instituto de Investigación e Análises Alimentarias, Arp, Hans Peter H., Wolf, Raoul, Hale, Sarah E., Baskaran, Sivani, Glüge, Juliane, Scheringer, Martin, Trier, Xenia, Cousins, Ian T., Timmer, Harrie, Hofman-Caris, Roberta, Lennquist, Anna, Bannink, André D., Stroomberg, Gerard J., Montes Goyanes, Rosa María, Rodil Rodríguez, María del Rosario, Quintana Álvarez, José Benito, Zahn, Daniel, Gallard, Hervé, Mohr, Tobias, Schliebner, Ivo, Neumann, Michael, Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía, Universidade de Santiago de Compostela. Instituto de Investigación e Análises Alimentarias, Arp, Hans Peter H., Wolf, Raoul, Hale, Sarah E., Baskaran, Sivani, Glüge, Juliane, Scheringer, Martin, Trier, Xenia, Cousins, Ian T., Timmer, Harrie, Hofman-Caris, Roberta, Lennquist, Anna, Bannink, André D., Stroomberg, Gerard J., Montes Goyanes, Rosa María, Rodil Rodríguez, María del Rosario, Quintana Álvarez, José Benito, Zahn, Daniel, Gallard, Hervé, Mohr, Tobias, Schliebner, Ivo, and Neumann, Michael

Published
2023

28. Avoiding the Next Silent Spring: Our Chemical Past, Present, and Future

Author

Arp, Hans Peter H., Aurich, Dagny, Schymanski, Emma L., Sims, Kerry, Hale, Sarah E., European Union Horizon 2020 research and innovation programme, Grant Agreement No 101036756, ZeroPM [sponsor], Luxembourg National Research Fund (FNR), project A18/BM/12341006 [sponsor], and Institute of Advanced Studies at the University of Luxembourg, project LuxTIME [sponsor]

Subjects
Chemistry [G01] [Physical, chemical, mathematical & earth Sciences], precautionary principle, zero pollution, Chimie [G01] [Physique, chimie, mathématiques & sciences de la terre], patents, circular economy, persistent, Environmental Chemistry, regulation, General Chemistry
Abstract

Rachel Carson’s Silent Spring,published just more than 60 years ago, outlined how the indiscriminate use of dichlorodiphenyltrichloroethane (DDT), a potent, environmentally persistent insecticide, was damaging the world’s ecosystems, animals, and food supply. There were many other chemicals more persistent than DDT accumulating in the environment when Carson was writing, including per- and polyfluoroalkyl substances (PFAS). While man-made, PFAS were not intended to cause harm, contrary to pesticides such as DDT. Today, ambient PFAS levels are contaminating rain, soil, and drinking water resources worldwide to such an extent that they have caused substantial, irreversible health and environmental damage.Like DDT, PFAS had long been in use by the time Rachel Carson was writing Silent Spring.. However, their environmental presence went unnoticed by Carson and other contemporary environmental researchers. PFAS were entering the environment under the radar, except to those who were manufacturing and emitting them

Published
2023

29. Biochar amendment improves degraded pasturelands in Brazil: environmental and cost-benefit analysis

Author

Latawiec, Agnieszka E., Strassburg, Bernardo B. N., Junqueira, André B., Araujo, Ednaldo, D. de Moraes, Luiz Fernando, Pinto, Helena A. N., Castro, Ana, Rangel, Marcio, Malaguti, Gustavo A., Rodrigues, Aline F., Barioni, Luis Gustavo, Novotny, Etelvino H., Cornelissen, Gerard, Mendes, Maiara, Batista, Nilcileny, Guerra, Jose Guilherme, Zonta, Everaldo, Jakovac, Catarina, and Hale, Sarah E.

Published
2019
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31. The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and Worldwide Collaboration on Suspect Screening in High Resolution Mass Spectrometry

Author

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

Published
2022
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32. Occurrence, Distribution, and Environmental Behavior of Persistent, Mobile, and Toxic (PMT) and Very Persistent and Very Mobile (vPvM) Substances in the Sources of German Drinking Water

Author

Neuwald, Isabelle J., primary, Hübner, Daniel, additional, Wiegand, Hanna L., additional, Valkov, Vassil, additional, Borchers, Ulrich, additional, Nödler, Karsten, additional, Scheurer, Marco, additional, Hale, Sarah E., additional, Arp, Hans Peter H., additional, and Zahn, Daniel, additional

Published
2022
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33. Correction to “Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment”

Author

Sigmund, Gabriel, primary, Arp, Hans Peter H., additional, Aumeier, Benedikt M., additional, Bucheli, Thomas D., additional, Chefetz, Benny, additional, Chen, Wei, additional, Droge, Steven T. J., additional, Endo, Satoshi, additional, Escher, Beate I., additional, Hale, Sarah E., additional, Hofmann, Thilo, additional, Pignatello, Joseph, additional, Reemtsma, Thorsten, additional, Schmidt, Torsten C., additional, Schönsee, Carina D., additional, and Scheringer, Martin, additional

Published
2022
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34. Framework for Planning and Evaluation of Nature-Based Solutions for Water in Peri-Urban Areas

Author

de Lima, Ana Paula Morais, primary, Rodrigues, Aline F., additional, Latawiec, Agnieszka Ewa, additional, Dib, Viviane, additional, Gomes, Fernanda D., additional, Maioli, Veronica, additional, Pena, Ingrid, additional, Tubenchlak, Fernanda, additional, Rebelo, Alanna J., additional, Esler, Karen J., additional, Oen, Amy M. P., additional, Ramírez-Agudelo, Nancy Andrea, additional, Bosch, Elisabeth Roca, additional, Singh, Nandita, additional, Suleiman, Lina, additional, and Hale, Sarah E., additional

Published
2022
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36. Getting in control of persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances to protect water resources: strategies from diverse perspectives

Author

Hale, Sarah E. (author), Neumann, Michael (author), Schliebner, Ivo (author), Schulze, Jona (author), Averbeck, Frauke S. (author), Castell-Exner, Claudia (author), Collard, Marie (author), Hartmann, J. (author), Timmer, Harrie (author), Hale, Sarah E. (author), Neumann, Michael (author), Schliebner, Ivo (author), Schulze, Jona (author), Averbeck, Frauke S. (author), Castell-Exner, Claudia (author), Collard, Marie (author), Hartmann, J. (author), and Timmer, Harrie (author)

Abstract

Background: Safe and clean drinking water is essential for human life. Persistent, mobile and toxic (PMT) substances and/or very persistent and very mobile (vPvM) substances are an important group of substances for which additional measures to protect water resources may be needed to avoid negative environmental and human health effects. PMT/vPvM substances do not sufficiently biodegrade in the environment, they can travel long distances with water and are toxic (those that are PMT substances) to the environment and/or human health. PMT/vPvM substance research and regulation is arguably in its infancy and in order to get in control of these substances the following (non-exhaustive list of) knowledge gaps should to be addressed: environmental occurrence; the suitability of currently available analytical methods; the effectiveness and availability of treatment technologies; the ability of regional governance and industrial stewardship to contribute to safe drinking water while supporting innovation; the ways in which policies and regulations can be used most effectively to govern these substances; and, the identification of safe and sustainable alternatives. Methods: The work is the outcome of the third PMT workshop, held in March 2021, that brought together diverse scientists, regulators, NGOs, and representatives from the water sector and the chemical sector, all concerned with protecting the quality of our water resources. The online workshop was attended by over 700 people. The knowledge gaps above were discussed in the presentations given and the attendees were invited to provide their opinions about knowledge gaps related to PMT/vPvM substance research and regulation. Results: Strategies to closing the knowledge, technical and practical gaps to get in control of PMT/vPvM substances can be rooted in the Chemicals Strategy for Sustainability Towards a Toxic Free Environment from the European Commission, as well as recent advances in the research and industrial, Sanitary Engineering

Published
2022
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37. The NORMAN Suspect List Exchange (NORMAN-SLE) : facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

Taha, Hiba Mohammed, 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., Feunang, Yannick Djoumbou, 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., Taha, Hiba Mohammed, 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., Feunang, Yannick Djoumbou, 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, and Schymanski, Emma L.

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

Published
2022
Full Text
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38. The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

IRAS OH Epidemiology Chemical Agents, 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, IRAS OH Epidemiology Chemical Agents, 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, and Schymanski, Emma L

Published
2022

39. Framework for Planning and Evaluation of Nature-Based Solutions for Water in Peri-Urban Areas

Author

Morais de Lima, Ana Paula, Rodrigues, Aline F., Latawiec, Agnieszka Ewa, Dib, Viviane, Gomes, Fernanda D., Maioli, Veronica, Pena, Ingrid, Tubenchlak, Fernanda, Rebelo, Alanna J., Esler, Karen J., Oen, Amy M. P., Andrea Ramirez-Agudelo, Nancy, Roca Bosch, Elisabeth, Singh, Nandita, Suleiman, Lina, Hale, Sarah E., Morais de Lima, Ana Paula, Rodrigues, Aline F., Latawiec, Agnieszka Ewa, Dib, Viviane, Gomes, Fernanda D., Maioli, Veronica, Pena, Ingrid, Tubenchlak, Fernanda, Rebelo, Alanna J., Esler, Karen J., Oen, Amy M. P., Andrea Ramirez-Agudelo, Nancy, Roca Bosch, Elisabeth, Singh, Nandita, Suleiman, Lina, and Hale, Sarah E.

Abstract

Recent efforts to achieve social, economic, and environmental goals related to sustainability emphasize the importance of nature-based solutions (NBS), as grey infrastructure alone is insufficient to address current challenges. The majority of frameworks proposed in the literature fail to address the full potential of NBS, neglecting long-term results, unintended consequences, co-benefits, and their contribution to achieving global environmental agreements, such as the Agenda 2030, especially for water management in a peri-urban context. Here we present an innovative framework that can be applied to both NBS project planning and evaluation for several water-based challenges, giving practitioners and researchers a tool not only to evaluate ongoing projects but also to guide new ones. The framework considers three main stages of a NBS project: (1) context assessment, (2) NBS implementation and adaptation process, and (3) NBS results. This tool has the potential to be used to evaluate whether NBS projects are aligned with sustainability dimensions through a set of adaptable sustainability indicators. The framework can also highlight how the NBS targets are related to the sustainable development goals (SGD) and contribute to catalyzing the 2030 Agenda. The framework is an important tool for water management and other NBS types., QC 20220721

Published
2022
Full Text
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40. The NORMAN Suspect List Exchange (NORMAN-SLE):facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

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., 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, and Schymanski, Emma L.

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.

Published
2022

41. Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment

Author

Sigmund, Gabriel, Arp, Hans Peter H., Aumeier, Benedikt M., Bucheli, Thomas D., Chefetz, Benny, Chen, Wei, Droge, Steven T.J., Endo, Satoshi, Escher, Beate I., Hale, Sarah E., Hofmann, Thilo, Pignatello, Joseph, Reemtsma, Thorsten, Schmidt, Torsten C., Schönsee, Carina D., Scheringer, Martin, Sigmund, Gabriel, Arp, Hans Peter H., Aumeier, Benedikt M., Bucheli, Thomas D., Chefetz, Benny, Chen, Wei, Droge, Steven T.J., Endo, Satoshi, Escher, Beate I., Hale, Sarah E., Hofmann, Thilo, Pignatello, Joseph, Reemtsma, Thorsten, Schmidt, Torsten C., Schönsee, Carina D., and Scheringer, Martin

Abstract

Permanently charged and ionizable organic compounds (IOC) are a large and diverse group of compounds belonging to many contaminant classes, including pharmaceuticals, pesticides, industrial chemicals, and natural toxins. Sorption and mobility of IOCs are distinctively different from those of neutral compounds. Due to electrostatic interactions with natural sorbents, existing concepts for describing neutral organic contaminant sorption, and by extension mobility, are inadequate for IOC. Predictive models developed for neutral compounds are based on octanol-water partitioning of compounds (Kow) and organic-carbon content of soil/sediment, which is used to normalize sorption measurements (KOC). We revisit those concepts and their translation to IOC (Dow and DOC) and discuss compound and soil properties determining sorption of IOC under water saturated conditions. Highlighting possible complementary and/or alternative approaches to better assess IOC mobility, we discuss implications on their regulation and risk assessment. The development of better models for IOC mobility needs consistent and reliable sorption measurements at well-defined chemical conditions in natural porewater, better IOC-, as well as sorbent characterization. Such models should be complemented by monitoring data from the natural environment. The state of knowledge presented here may guide urgently needed future investigations in this field for researchers, engineers, and regulators.

Published
2022

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

Author

Ministerio de Ciencia e Innovación (España), European Commission, 0000-0001-7820-4335, 0000-0001-9167-9060, 0000-0002-5727-4999, 0000-0001-9512-9314, 0000-0002-0747-8838, 0000-0003-2724-9183, 0000-0002-8351-9435, 0000-0001-7147-384X, 0000-0001-7005-8775, 0000-0002-5959-6190, 0000-0001-9269-6524, 0000-0001-9763-8737, 0000-0001-5143-0543, 0000-0002-4486-3356, 0000-0002-9932-8609, 0000-0001-9351-6855, 0000-0002-9734-324X, 0000-0001-7850-184X, 0000-0002-9436-9954, 0000-0002-5987-0399, 0000-0003-1112-6867, 0000-0002-0749-3982, 0000-0002-1740-9422, 0000-0003-1997-2750, 0000-0002-3778-4721, 0000-0003-2293-7913, 0000-0002-8295-9738, 0000-0002-7743-9199, 0000-0003-1268-3083, 0000-0002-5475-6730, 0000-0002-6415-6173, 0000-0002-6917-3431, 0000-0002-1043-3278, 0000-0002-0362-4244, 0000-0001-6986-5545, 0000-0002-7373-7738, 0000-0003-1008-8790, 0000-0002-6453-236X, 0000-0001-7893-9876, 0000-0002-4439-9194, 0000-0001-6265-4294, 0000-0003-1423-330X, 0000-0001-8918-6419, 0000-0003-3126-5186, 0000-0002-4551-6823, 0000-0002-1808-8835, 0000-0002-8793-5516, 0000-0002-6942-0594, 0000-0001-6672-8414, 0000-0002-2558-4431, 0000-0002-8501-7789, 0000-0003-2396-2993, 0000-0002-0963-8268, 0000-0001-9336-9656, 0000-0003-3088-9771, 0000-0002-1948-9243, 0000-0002-7344-7044, 0000-0002-9251-0790, 0000-0003-1606-0764, 0000-0001-6974-0224, 0000-0001-9778-4283, 0000-0002-4175-4787, 0000-0001-8604-1732, 0000-0001-8270-6979, 0000-0002-0809-7826, 0000-0002-1553-3868, 0000-0002-9744-8914, 0000-0002-1356-285X, 0000-0001-6273-4083, 0000-0002-8542-3699, 0000-0003-4500-3400, 0000-0003-0977-1656, 0000-0002-1992-2086, 0000-0002-2155-100X, 0000-0001-8881-0793, 0000-0001-6067-8321, 0000-0002-6875-957X, 0000-0003-4082-8163, 0000-0001-7350-8962, 0000-0001-9914-7659, 0000-0002-2668-4821, 0000-0001-7542-0286, 0000-0002-3207-2434, 0000-0002-6192-4632, 0000-0002-4624-4735, 0000-0002-4660-274X, 0000-0003-2622-6318, 0000-0001-6868-8145, 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, Ramírez, 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., Ministerio de Ciencia e Innovación (España), European Commission, 0000-0001-7820-4335, 0000-0001-9167-9060, 0000-0002-5727-4999, 0000-0001-9512-9314, 0000-0002-0747-8838, 0000-0003-2724-9183, 0000-0002-8351-9435, 0000-0001-7147-384X, 0000-0001-7005-8775, 0000-0002-5959-6190, 0000-0001-9269-6524, 0000-0001-9763-8737, 0000-0001-5143-0543, 0000-0002-4486-3356, 0000-0002-9932-8609, 0000-0001-9351-6855, 0000-0002-9734-324X, 0000-0001-7850-184X, 0000-0002-9436-9954, 0000-0002-5987-0399, 0000-0003-1112-6867, 0000-0002-0749-3982, 0000-0002-1740-9422, 0000-0003-1997-2750, 0000-0002-3778-4721, 0000-0003-2293-7913, 0000-0002-8295-9738, 0000-0002-7743-9199, 0000-0003-1268-3083, 0000-0002-5475-6730, 0000-0002-6415-6173, 0000-0002-6917-3431, 0000-0002-1043-3278, 0000-0002-0362-4244, 0000-0001-6986-5545, 0000-0002-7373-7738, 0000-0003-1008-8790, 0000-0002-6453-236X, 0000-0001-7893-9876, 0000-0002-4439-9194, 0000-0001-6265-4294, 0000-0003-1423-330X, 0000-0001-8918-6419, 0000-0003-3126-5186, 0000-0002-4551-6823, 0000-0002-1808-8835, 0000-0002-8793-5516, 0000-0002-6942-0594, 0000-0001-6672-8414, 0000-0002-2558-4431, 0000-0002-8501-7789, 0000-0003-2396-2993, 0000-0002-0963-8268, 0000-0001-9336-9656, 0000-0003-3088-9771, 0000-0002-1948-9243, 0000-0002-7344-7044, 0000-0002-9251-0790, 0000-0003-1606-0764, 0000-0001-6974-0224, 0000-0001-9778-4283, 0000-0002-4175-4787, 0000-0001-8604-1732, 0000-0001-8270-6979, 0000-0002-0809-7826, 0000-0002-1553-3868, 0000-0002-9744-8914, 0000-0002-1356-285X, 0000-0001-6273-4083, 0000-0002-8542-3699, 0000-0003-4500-3400, 0000-0003-0977-1656, 0000-0002-1992-2086, 0000-0002-2155-100X, 0000-0001-8881-0793, 0000-0001-6067-8321, 0000-0002-6875-957X, 0000-0003-4082-8163, 0000-0001-7350-8962, 0000-0001-9914-7659, 0000-0002-2668-4821, 0000-0001-7542-0286, 0000-0002-3207-2434, 0000-0002-6192-4632, 0000-0002-4624-4735, 0000-0002-4660-274X, 0000-0003-2622-6318, 0000-0001-6868-8145, 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, Ramírez, 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, and Schymanski, Emma L.

Abstract

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.

Published
2022

43. Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment

Author

Sigmund, Gabriel, primary, Arp, Hans Peter H., additional, Aumeier, Benedikt M., additional, Bucheli, Thomas D., additional, Chefetz, Benny, additional, Chen, Wei, additional, Droge, Steven T. J., additional, Endo, Satoshi, additional, Escher, Beate I., additional, Hale, Sarah E., additional, Hofmann, Thilo, additional, Pignatello, Joseph, additional, Reemtsma, Thorsten, additional, Schmidt, Torsten C., additional, Schönsee, Carina D., additional, and Scheringer, Martin, additional

Published
2022
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44. Additional file 2 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

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, and Schymanski, Emma L.

Subjects
Pharmacology, Ecology, 39999 Chemical Sciences not elsewhere classified, FOS: Chemical sciences, FOS: Biological sciences, Computational Biology, Marine Biology, Biochemistry, Molecular Biology, Biotechnology, Cancer
Abstract

Additional file 2: Overview of the NORMAN-SLE website (DOCX format) as of 30 May 2022 [82].

Published
2022
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45. Additional file 1 of Getting in control of persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances to protect water resources: strategies from diverse perspectives

Author

Hale, Sarah E., Neumann, Michael, Schliebner, Ivo, Schulze, Jona, Averbeck, Frauke S., Castell-Exner, Claudia, Collard, Marie, Drma��, Dunja, Hartmann, Julia, Hofman-Caris, Roberta, Hollender, Juliane, de Jonge, Martin, Kullick, Thomas, Lennquist, Anna, Letzel, Thomas, N��dler, Karsten, Pawlowski, Sascha, Reineke, Ninja, Rorije, Emiel, Scheurer, Marco, Sigmund, Gabriel, Timmer, Harrie, Trier, Xenia, Verbruggen, Eric, and Arp, Hans Peter H.

Subjects
Data_FILES
Abstract

Additional file 1. Additional file consisting of figures, tables and text.

Published
2022
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