22 results on '"Schymanski E"'
Search Results
2. One planet: one health. A call to support the initiative on a global science–policy body on chemicals and waste
- Author
-
Brack, W., Culleres, D.B., Boxall, A.B.A., Budzinski, H., Castiglioni, S., Covaci, A., Dulio, V., Escher, B.I., Fantke, P., Kandie, F., Fatta-Kassinos, D., Hernández, F.J., Hilscherová, K., Hollender, J., Hollert, H., Jahnke, A., Kasprzyk-Hordern, B., Khan, S.J., Kortenkamp, A., Kümmerer, K., Lalonde, B., Lamoree, M.H., Levi, Y., Martín, P.A.L., Montagner, C.C., Mougin, C., Msagati, T., Oehlmann, J., Posthuma, L., Reid, M., Reinhard, M., Richardson, S.D., Rostkowski, P., Schymanski, E., Schneider, F., Slobodnik, J., Shibata, Y., Snyder, S.A., Sodré, F. Fabriz, Teodorovic, I., Thomas, K.V., Umbuzeiro, G.A., Viet, P.H., Yew-Hoong, K.G., Zhang, Xiaowei, Zuccato, E., Brack, W., Culleres, D.B., Boxall, A.B.A., Budzinski, H., Castiglioni, S., Covaci, A., Dulio, V., Escher, B.I., Fantke, P., Kandie, F., Fatta-Kassinos, D., Hernández, F.J., Hilscherová, K., Hollender, J., Hollert, H., Jahnke, A., Kasprzyk-Hordern, B., Khan, S.J., Kortenkamp, A., Kümmerer, K., Lalonde, B., Lamoree, M.H., Levi, Y., Martín, P.A.L., Montagner, C.C., Mougin, C., Msagati, T., Oehlmann, J., Posthuma, L., Reid, M., Reinhard, M., Richardson, S.D., Rostkowski, P., Schymanski, E., Schneider, F., Slobodnik, J., Shibata, Y., Snyder, S.A., Sodré, F. Fabriz, Teodorovic, I., Thomas, K.V., Umbuzeiro, G.A., Viet, P.H., Yew-Hoong, K.G., Zhang, Xiaowei, and Zuccato, E.
- Abstract
Contains fulltext : 252561.pdf (Publisher’s version ) (Open Access)
- Published
- 2022
3. One planet: one health. A call to support the initiative on a global science–policy body on chemicals and waste
- Author
-
Brack, Werner, Barcelo Culleres, D., Boxall, A.B.A., Budzinski, H., Castiglioni, S., Covaci, A., Dulio, V., Escher, Beate, Fantke, P., Kandie, F., Fatta-Kassinos, D., Hernández, F.J., Hilscherová, K., Hollender, J., Hollert, H., Jahnke, Annika, Kasprzyk-Hordern, B., Khan, S.J., Kortenkamp, A., Kümmerer, K., Lalonde, B., Lamoree, M.H., Levi, Y., Lara Martín, P.A., Montagner, C.C., Mougin, C., Msagati, T., Oehlmann, J., Posthuma, L., Reid, M., Reinhardt, M., Richardson, S.D., Rostkowski, P., Schymanski, E., Schneider, F., Slobodnik, J., Shibata, Y., Snyder, S.A., Sodré, F.F., Teodorovic, I., Thomas, K.V., Umbuzeiro, G.A., Viet, P.H., Yew-Hoong, K.G., Zhang, X., Zuccato, E., Brack, Werner, Barcelo Culleres, D., Boxall, A.B.A., Budzinski, H., Castiglioni, S., Covaci, A., Dulio, V., Escher, Beate, Fantke, P., Kandie, F., Fatta-Kassinos, D., Hernández, F.J., Hilscherová, K., Hollender, J., Hollert, H., Jahnke, Annika, Kasprzyk-Hordern, B., Khan, S.J., Kortenkamp, A., Kümmerer, K., Lalonde, B., Lamoree, M.H., Levi, Y., Lara Martín, P.A., Montagner, C.C., Mougin, C., Msagati, T., Oehlmann, J., Posthuma, L., Reid, M., Reinhardt, M., Richardson, S.D., Rostkowski, P., Schymanski, E., Schneider, F., Slobodnik, J., Shibata, Y., Snyder, S.A., Sodré, F.F., Teodorovic, I., Thomas, K.V., Umbuzeiro, G.A., Viet, P.H., Yew-Hoong, K.G., Zhang, X., and Zuccato, E.
- Abstract
The chemical pollution crisis severely threatens human and environmental health globally. To tacklethis challenge the establishment of an overarching international science-policy body has recently beensuggested. We strongly support this initiative based on the awareness that humanity has already likelyleft the safe operating space within planetary boundaries for novel entities including chemicalpollution. Immediate action is essential and needs to be informed by sound scientific knowledge anddata compiled and critically evaluated by an overarching science-policy interface body. Majorchallenges for such a body are (i) to foster global knowledge production on exposure, impacts andgovernance going beyond data-rich regions (e.g., Europe and North America), (ii) to cover the entiretyof hazardous chemicals, mixtures and wastes, (iii) to follow a one-health perspective considering therisks posed by chemicals and waste on ecosystem and human health, (iv) and to strive for solutionorientedassessments based on systems thinking. Based on multiple evidence on urgent action on aglobal scale, we call scientists and practitioners to mobilize their scientific networks and to intensifyscience-policy interaction with national governments to support the negotiations on the establishmentof an intergovernmental body based on scientific knowledge explaining the anticipated benefit forhuman and environmental health.
- Published
- 2022
4. Green Deal projects on PM(T) & PFAS: ZeroPM
- Author
-
Hale, S.E, Arp, H.P.H, and Schymanski, E
- Subjects
Persistent ,Substance ,Mobile - Abstract
Introduction of ZeroPM presented at the NORMAN General Assembly meeting December 2021.
- Published
- 2022
- Full Text
- View/download PDF
5. The role of analytical chemistry in exposure science: Focus on the aquatic environment
- Author
-
Hernández, F., Bakker, J., Bijlsma, L., de Boer, J., Botero-Coy, A. M., Bruinen de Bruin, Y., Fischer, S., Hollender, J., Kasprzyk-Hordern, B., Lamoree, M., López, F. J., Laak, T. L.ter, van Leerdam, J. A., Sancho, J. V., Schymanski, E. L., de Voogt, P., Hogendoorn, E. A., Hernández, F., Bakker, J., Bijlsma, L., de Boer, J., Botero-Coy, A. M., Bruinen de Bruin, Y., Fischer, S., Hollender, J., Kasprzyk-Hordern, B., Lamoree, M., López, F. J., Laak, T. L.ter, van Leerdam, J. A., Sancho, J. V., Schymanski, E. L., de Voogt, P., and Hogendoorn, E. A.
- Abstract
Exposure science, in its broadest sense, studies the interactions between stressors (chemical, biological, and physical agents) and receptors (e.g. humans and other living organisms, and non-living items like buildings), together with the associated pathways and processes potentially leading to negative effects on human health and the environment. The aquatic environment may contain thousands of compounds, many of them still unknown, that can pose a risk to ecosystems and human health. Due to the unquestionable importance of the aquatic environment, one of the main challenges in the field of exposure science is the comprehensive characterization and evaluation of complex environmental mixtures beyond the classical/priority contaminants to new emerging contaminants. The role of advanced analytical chemistry to identify and quantify potential chemical risks, that might cause adverse effects to the aquatic environment, is essential. In this paper, we present the strategies and tools that analytical chemistry has nowadays, focused on chromatography hyphenated to (high-resolution) mass spectrometry because of its relevance in this field. Key issues, such as the application of effect direct analysis to reduce the complexity of the sample, the investigation of the huge number of transformation/degradation products that may be present in the aquatic environment, the analysis of urban wastewater as a source of valuable information on our lifestyle and substances we consumed and/or are exposed to, or the monitoring of drinking water, are discussed in this article. The trends and perspectives for the next few years are also highlighted, when it is expected that new developments and tools will allow a better knowledge of chemical composition in the aquatic environment. This will help regulatory authorities to protect water bodies and to advance towards improved regulations that enable practical and efficient abatements for environmental and public health protection.
- Published
- 2019
- Full Text
- View/download PDF
6. An ecotoxicological view on neurotoxicity assessment
- Author
-
Legradi, J. B., Di Paolo, C., Kraak, M. H. S., van der Geest, H. G., Schymanski, E. L., Williams, A. J., Dingemans, M. M. L., Massei, R., Brack, W., Cousin, X., Begout, M. -L., van der Oost, R., Carion, A., Suarez-Ulloa, V., Silvestre, F., Escher, B. I., Engwall, M., Nilen, G., Keiter, S. H., Pollet, D., Waldmann, P., Kienle, C., Werner, I., Haigis, A. -C., Knapen, D., Vergauwen, L., Spehr, M., Schulz, W., Busch, W., Leuthold, D., Scholz, S., vom Berg, C. M., Basu, N., Murphy, C. A., Lampert, A., Kuckelkorn, J., Grummt, T., Hollert, H., Legradi, J. B., Di Paolo, C., Kraak, M. H. S., van der Geest, H. G., Schymanski, E. L., Williams, A. J., Dingemans, M. M. L., Massei, R., Brack, W., Cousin, X., Begout, M. -L., van der Oost, R., Carion, A., Suarez-Ulloa, V., Silvestre, F., Escher, B. I., Engwall, M., Nilen, G., Keiter, S. H., Pollet, D., Waldmann, P., Kienle, C., Werner, I., Haigis, A. -C., Knapen, D., Vergauwen, L., Spehr, M., Schulz, W., Busch, W., Leuthold, D., Scholz, S., vom Berg, C. M., Basu, N., Murphy, C. A., Lampert, A., Kuckelkorn, J., Grummt, T., and Hollert, H.
- Abstract
The numbers of potential neurotoxicants in the environment are raising and pose a great risk for humans and the environment. Currently neurotoxicity assessment is mostly performed to predict and prevent harm to human populations. Despite all the efforts invested in the last years in developing novel in vitro or in silico test systems, in vivo tests with rodents are still the only accepted test for neurotoxicity risk assessment in Europe. Despite an increasing number of reports of species showing altered behaviour, neurotoxicity assessment for species in the environment is not required and therefore mostly not performed. Considering the increasing numbers of environmental contaminants with potential neurotoxic potential, eco-neurotoxicity should be also considered in risk assessment. In order to do so novel test systems are needed that can cope with species differences within ecosystems. In the field, online-biomonitoring systems using behavioural information could be used to detect neurotoxic effects and effect-directed analyses could be applied to identify the neurotoxicants causing the effect. Additionally, toxic pressure calculations in combination with mixture modelling could use environmental chemical monitoring data to predict adverse effects and prioritize pollutants for laboratory testing. Cheminformatics based on computational toxicological data from in vitro and in vivo studies could help to identify potential neurotoxicants. An array of in vitro assays covering different modes of action could be applied to screen compounds for neurotoxicity. The selection of in vitro assays could be guided by AOPs relevant for eco-neurotoxicity. In order to be able to perform risk assessment for eco-neurotoxicity, methods need to focus on the most sensitive species in an ecosystem. A test battery using species from different trophic levels might be the best approach. To implement eco-neurotoxicity assessment into European risk assessment, cheminformatics and in vitro scre
- Published
- 2019
- Full Text
- View/download PDF
7. How the RCDK enables open source cheminformatics in R: From fingerprints to mass spectra
- Author
-
Guha, R., Schymanski, E., Schulze, Tobias, Stravs, M., Guha, R., Schymanski, E., Schulze, Tobias, and Stravs, M.
- Abstract
no abstract
- Published
- 2019
8. High‑resolution mass spectrometry to complement monitoring and track emerging chemicals and pollution trends in European water resources
- Author
-
Brack, Werner, Hollender, J., López de Alda, M., Müller, Christin, Schulze, Tobias, Schymanski, E., Slobodnik, J., Krauss, Martin, Brack, Werner, Hollender, J., López de Alda, M., Müller, Christin, Schulze, Tobias, Schymanski, E., Slobodnik, J., and Krauss, Martin
- Abstract
Currently, chemical monitoring based on priority substances fails to consider the majority of known environmental micropollutants not to mention the unexpected and unknown chemicals that may contribute to the toxic risk of complex mixtures present in the environment. Complementing component- and effect-based monitoring with wide-scope target, suspect, and non-target screening (NTS) based on high-resolution mass spectrometry (HRMS) data is recommended to support environmental impact and risk assessment. This will allow for detection of newly emerging compounds and transformation products, retrospective monitoring efforts, and the identification of possible drivers of toxicity by correlation with effects or modelling of expected effects for future and abatement scenarios. HRMS is becoming increasingly available in many laboratories. Thus, the time is right to establish and harmonize screening methods, train staff, and record HRMS data for samples from regular monitoring events and surveys. This will strongly enhance the value of chemical monitoring data for evaluating complex chemical pollution problems, at limited additional costs. Collaboration and data exchange on a European-to-global scale is essential to maximize the benefit of chemical screening. Freely accessible data platforms, inter-laboratory trials, and the involvement of international partners and networks are recommended.
- Published
- 2019
9. Strengthen the European collaborative environmental research to meet European policy goals for achieving a sustainable, non‑toxic environment
- Author
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Brack, Werner, Ait‑Aissa, S., Backhaus, T., Birk, S., Barceló, D., Burgess, R., Cousins, I., Dulio, V., Escher, Beate, Focks, A., van Gils, J., Ginebreda, A., Hering, D., Hewitt, L.M., Hilscherová, K., Hollender, J., Hollert, H., Köck, M., Kortenkamp, A., López de Alda, M., Müller, Christin, Posthuma, L., Schüürmann, Gerrit, Schymanski, E., Segner, H., Sleeuwaert, F., Slobodnik, J., Teodorovic, I., Umbuzeiro, G., Voulvoulis, N., van Wezel, A., Altenburger, Rolf, Brack, Werner, Ait‑Aissa, S., Backhaus, T., Birk, S., Barceló, D., Burgess, R., Cousins, I., Dulio, V., Escher, Beate, Focks, A., van Gils, J., Ginebreda, A., Hering, D., Hewitt, L.M., Hilscherová, K., Hollender, J., Hollert, H., Köck, M., Kortenkamp, A., López de Alda, M., Müller, Christin, Posthuma, L., Schüürmann, Gerrit, Schymanski, E., Segner, H., Sleeuwaert, F., Slobodnik, J., Teodorovic, I., Umbuzeiro, G., Voulvoulis, N., van Wezel, A., and Altenburger, Rolf
- Abstract
To meet the United Nations (UN) sustainable development goals and the European Union (EU) strategy for a non-toxic environment, water resources and ecosystems management require cost-efficient solutions for prevailing complex contamination and multiple stressor exposures. For the protection of water resources under global change conditions, specific research needs for prediction, monitoring, assessment and abatement of multiple stressors emerge with respect to maintaining human needs, biodiversity, and ecosystem services. Collaborative European research seems an ideal instrument to mobilize the required transdisciplinary scientific support and tackle the large-scale dimension and develop options required for implementation of European policies. Calls for research on minimizing society’s chemical footprints in the water–food–energy–security nexus are required. European research should be complemented with targeted national scientific funding to address specific transformation pathways and support the evaluation, demonstration and implementation of novel approaches on regional scales. The foreseeable pressure developments due to demographic, economic and climate changes require solution-oriented thinking, focusing on the assessment of sustainable abatement options and transformation pathways rather than on status evaluation. Stakeholder involvement is a key success factor in collaborative projects as it allows capturing added value, to address other levels of complexity, and find smarter solutions by synthesizing scientific evidence, integrating governance issues, and addressing transition pathways. This increases the chances of closing the value chain by implementing novel solutions. For the water quality topic, the interacting European collaborative projects SOLUTIONS, MARS and GLOBAQUA and the NORMAN network provide best practice examples for successful applied collaborative research including multi-stakeholder involvement. They provided innovative conceptual, mode
- Published
- 2019
10. Let us empower the WFD to prevent risks of chemical pollution in European rivers and lakes
- Author
-
Brack, Werner, Ait-Aissa, S., Altenburger, Rolf, Cousins, I., Dulio, V., Escher, Beate, Focks, A., Ginebreda, A., Hering, D., Hilscherová, K., Hollender, J., Hollert, H., Kortenkamp, A., López de Alda, M., Posthuma, L., Schymanski, E., Segner, H., Slobodnik, J., Brack, Werner, Ait-Aissa, S., Altenburger, Rolf, Cousins, I., Dulio, V., Escher, Beate, Focks, A., Ginebreda, A., Hering, D., Hilscherová, K., Hollender, J., Hollert, H., Kortenkamp, A., López de Alda, M., Posthuma, L., Schymanski, E., Segner, H., and Slobodnik, J.
- Abstract
Editorial ; no abstract
- Published
- 2019
11. An ecotoxicological view on neurotoxicity assessment
- Author
-
Legradi, J. B., primary, Di Paolo, C., additional, Kraak, M. H. S., additional, van der Geest, H. G., additional, Schymanski, E. L., additional, Williams, A. J., additional, Dingemans, M. M. L., additional, Massei, R., additional, Brack, W., additional, Cousin, X., additional, Begout, M.-L., additional, van der Oost, R., additional, Carion, A., additional, Suarez-Ulloa, V., additional, Silvestre, F., additional, Escher, B. I., additional, Engwall, M., additional, Nilén, G., additional, Keiter, S. H., additional, Pollet, D., additional, Waldmann, P., additional, Kienle, C., additional, Werner, I., additional, Haigis, A.-C., additional, Knapen, D., additional, Vergauwen, L., additional, Spehr, M., additional, Schulz, W., additional, Busch, W., additional, Leuthold, D., additional, Scholz, S., additional, vom Berg, C. M., additional, Basu, N., additional, Murphy, C. A., additional, Lampert, A., additional, Kuckelkorn, J., additional, Grummt, T., additional, and Hollert, H., additional
- Published
- 2018
- Full Text
- View/download PDF
12. An ecotoxicological view on neurotoxicity assessment
- Author
-
Legradi, J. B., Di Paolo, C., Kraak, M. H. S., Van Der Geest, H. G., Schymanski, E. L., Williams, A. J., Dingemans, M. M. L., Massei, R., Brack, W., Cousin, Xavier, Begout, Marie-laure, Van Der Oost, R., Carion, A., Suarez-ulloa, V., Silvestre, F., Escher, B. I., Engwall, M., Nilen, G., Keiter, S. H., Pollet, D., Waldmann, P., Kienle, C., Werner, I., Haigis, A. -c., Knapen, D., Vergauwen, L., Spehr, M., Schulz, W., Busch, W., Leuthold, D., Scholz, S., Vom Berg, C. M., Basu, N., Murphy, C. A., Lampert, A., Kuckelkorn, J., Grummt, T., Hollert, H., Legradi, J. B., Di Paolo, C., Kraak, M. H. S., Van Der Geest, H. G., Schymanski, E. L., Williams, A. J., Dingemans, M. M. L., Massei, R., Brack, W., Cousin, Xavier, Begout, Marie-laure, Van Der Oost, R., Carion, A., Suarez-ulloa, V., Silvestre, F., Escher, B. I., Engwall, M., Nilen, G., Keiter, S. H., Pollet, D., Waldmann, P., Kienle, C., Werner, I., Haigis, A. -c., Knapen, D., Vergauwen, L., Spehr, M., Schulz, W., Busch, W., Leuthold, D., Scholz, S., Vom Berg, C. M., Basu, N., Murphy, C. A., Lampert, A., Kuckelkorn, J., Grummt, T., and Hollert, H.
- Abstract
The numbers of potential neurotoxicants in the environment are raising and pose a great risk for humans and the environment. Currently neurotoxicity assessment is mostly performed to predict and prevent harm to human populations. Despite all the efforts invested in the last years in developing novel in vitro or in silico test systems, in vivo tests with rodents are still the only accepted test for neurotoxicity risk assessment in Europe. Despite an increasing number of reports of species showing altered behaviour, neurotoxicity assessment for species in the environment is not required and therefore mostly not performed. Considering the increasing numbers of environmental contaminants with potential neurotoxic potential, eco-neurotoxicity should be also considered in risk assessment. In order to do so novel test systems are needed that can cope with species differences within ecosystems. In the field, online-biomonitoring systems using behavioural information could be used to detect neurotoxic effects and effect-directed analyses could be applied to identify the neurotoxicants causing the effect. Additionally, toxic pressure calculations in combination with mixture modelling could use environmental chemical monitoring data to predict adverse effects and prioritize pollutants for laboratory testing. Cheminformatics based on computational toxicological data from in vitro and in vivo studies could help to identify potential neurotoxicants. An array of in vitro assays covering different modes of action could be applied to screen compounds for neurotoxicity. The selection of in vitro assays could be guided by AOPs relevant for eco-neurotoxicity. In order to be able to perform risk assessment for eco-neurotoxicity, methods need to focus on the most sensitive species in an ecosystem. A test battery using species from different trophic levels might be the best approach. To implement eco-neurotoxicity assessment into European risk assessment, cheminformatics and in vitro scre
- Published
- 2018
- Full Text
- View/download PDF
13. Hydrogen deuterium exchange of environmental samples to improve non-target elucidation
- Author
-
Schymanski, E., Ruttkies, C., Hollender, J., Neumann, S., Krauss, Martin, Schymanski, E., Ruttkies, C., Hollender, J., Neumann, S., and Krauss, Martin
- Abstract
no abstract
- Published
- 2018
14. Automated structure annotation and curation for MassBank: Potential and pitfalls
- Author
-
Schymanski, E., Stravs, M., Schulze, Tobias, Williams, A., Schymanski, E., Stravs, M., Schulze, Tobias, and Williams, A.
- Abstract
no abstract
- Published
- 2018
15. Identification of a phytotoxic photo-transformation product of diclofenac using effect-directed analysis
- Author
-
Schulze, T., Weiss, S., Schymanski, E., Ohe, P.C. von der, Schmitt-Jansen, M., Altenburger, R., Streck, G., Brack, W., and Publica
- Abstract
The pharmaceutical diclofenac (DCF) is released in considerably high amounts to the aquatic environment. Photo-transformation of DCF was reported as the main degradation pathway in surface waters and was found to produce metabolites with enhanced toxicity to the green algae Scenedesmus vacuolatus. We identified and subsequently confirmed 2-[2-(chlorophenyl)amino]benzaldehyde (CPAB) as a transformation product with enhanced toxicity using effect-directed analysis. The EC50 of CPAB (4.8 mg/L) was a factor of 10 lower than that for DCF (48.1 mg/L), due to the higher hydrophobicity of CPAB (log K-ow = 3.62) compared with DCF (log D-ow = 2.04) at pH 7.0.
- Published
- 2010
16. An ecotoxicological view on neurotoxicity assessment
- Author
-
Legradi, Jessica, Di Paolo, Carolina, Kraak, M. H. S., Van Der Geest, H. G., Schymanski, E. L., Williams, A. J., Dingemans, M. M. L., Massei, R., Brack, W., Cousin, X., Begout, M.-L., Van Der Oost, Ron, Carion, A., Suarez-Ulloa, V., Silvestre, F., Escher, B. I., Engwall, M., Nilén, G., Keiter, S. H., Pollet, D., Waldmann, P., Kienle, C., Werner, I., Haigis, Ann-Cathrin, Knapen, D., Vergauwen, L., Spehr, Marc, Schulz, W., Busch, W., Leuthold, D., Scholz, S., Vom Berg, C. M., Basu, N., Murphy, C. A., Lampert, Angelika, Kuckelkorn, J., Grummt, T., and Hollert, Henner
- Subjects
13. Climate action ,16. Peace & justice - Abstract
Environmental sciences Europe : ESEU 30(1), 46 (2018). doi:10.1186/s12302-018-0173-x special issue: "Special Issue 20 Years SETAC GLB / Edited by: Jochen Zubrod, Bettina Hitzfeld, Marion Junghans, Anja Kehrer, Rolf Düring, Peter Ebke, Dominic Kaiser, Anja Kehrer, Silvio Knaebe, Nadine Ruchter, Tobias Frische and Henner Hollert", Published by Springer, Heidelberg
17. One planet: one health. A call to support the initiative on a global science-policy body on chemicals and waste.
- Author
-
Brack W, Barcelo Culleres D, Boxall ABA, Budzinski H, Castiglioni S, Covaci A, Dulio V, Escher BI, Fantke P, Kandie F, Fatta-Kassinos D, Hernández FJ, Hilscherová K, Hollender J, Hollert H, Jahnke A, Kasprzyk-Hordern B, Khan SJ, Kortenkamp A, Kümmerer K, Lalonde B, Lamoree MH, Levi Y, Lara Martín PA, Montagner CC, Mougin C, Msagati T, Oehlmann J, Posthuma L, Reid M, Reinhard M, Richardson SD, Rostkowski P, Schymanski E, Schneider F, Slobodnik J, Shibata Y, Snyder SA, Fabriz Sodré F, Teodorovic I, Thomas KV, Umbuzeiro GA, Viet PH, Yew-Hoong KG, Zhang X, and Zuccato E
- Abstract
The chemical pollution crisis severely threatens human and environmental health globally. To tackle this challenge the establishment of an overarching international science-policy body has recently been suggested. We strongly support this initiative based on the awareness that humanity has already likely left the safe operating space within planetary boundaries for novel entities including chemical pollution. Immediate action is essential and needs to be informed by sound scientific knowledge and data compiled and critically evaluated by an overarching science-policy interface body. Major challenges for such a body are (i) to foster global knowledge production on exposure, impacts and governance going beyond data-rich regions (e.g., Europe and North America), (ii) to cover the entirety of hazardous chemicals, mixtures and wastes, (iii) to follow a one-health perspective considering the risks posed by chemicals and waste on ecosystem and human health, and (iv) to strive for solution-oriented assessments based on systems thinking. Based on multiple evidence on urgent action on a global scale, we call scientists and practitioners to mobilize their scientific networks and to intensify science-policy interaction with national governments to support the negotiations on the establishment of an intergovernmental body based on scientific knowledge explaining the anticipated benefit for human and environmental health., Competing Interests: Competing interestsThe authors declare that they have no competing interests. HH is Editor-in-Chief of this Journal., (© The Author(s) 2022.)
- Published
- 2022
- Full Text
- View/download PDF
18. The role of analytical chemistry in exposure science: Focus on the aquatic environment.
- Author
-
Hernández F, Bakker J, Bijlsma L, de Boer J, Botero-Coy AM, Bruinen de Bruin Y, Fischer S, Hollender J, Kasprzyk-Hordern B, Lamoree M, López FJ, Laak TLT, van Leerdam JA, Sancho JV, Schymanski EL, de Voogt P, and Hogendoorn EA
- Subjects
- Humans, Chemistry Techniques, Analytical, Ecosystem, Environmental Exposure analysis, Environmental Monitoring
- Abstract
Exposure science, in its broadest sense, studies the interactions between stressors (chemical, biological, and physical agents) and receptors (e.g. humans and other living organisms, and non-living items like buildings), together with the associated pathways and processes potentially leading to negative effects on human health and the environment. The aquatic environment may contain thousands of compounds, many of them still unknown, that can pose a risk to ecosystems and human health. Due to the unquestionable importance of the aquatic environment, one of the main challenges in the field of exposure science is the comprehensive characterization and evaluation of complex environmental mixtures beyond the classical/priority contaminants to new emerging contaminants. The role of advanced analytical chemistry to identify and quantify potential chemical risks, that might cause adverse effects to the aquatic environment, is essential. In this paper, we present the strategies and tools that analytical chemistry has nowadays, focused on chromatography hyphenated to (high-resolution) mass spectrometry because of its relevance in this field. Key issues, such as the application of effect direct analysis to reduce the complexity of the sample, the investigation of the huge number of transformation/degradation products that may be present in the aquatic environment, the analysis of urban wastewater as a source of valuable information on our lifestyle and substances we consumed and/or are exposed to, or the monitoring of drinking water, are discussed in this article. The trends and perspectives for the next few years are also highlighted, when it is expected that new developments and tools will allow a better knowledge of chemical composition in the aquatic environment. This will help regulatory authorities to protect water bodies and to advance towards improved regulations that enable practical and efficient abatements for environmental and public health protection., (Copyright © 2019 Elsevier Ltd. All rights reserved.)
- Published
- 2019
- Full Text
- View/download PDF
19. Application of preparative capillary gas chromatography (pcGC), automated structure generation and mutagenicity prediction to improve effect-directed analysis of genotoxicants in a contaminated groundwater.
- Author
-
Meinert C, Schymanski E, Küster E, Kühne R, Schüürmann G, and Brack W
- Subjects
- Chromatography, Gas methods, Environmental Monitoring instrumentation, Mutagenicity Tests, Mutagens chemistry, Water Pollutants, Chemical chemistry, Environmental Monitoring methods, Mutagens analysis, Water Pollutants, Chemical analysis
- Abstract
Background, Aim and Scope: The importance of groundwater for human life cannot be overemphasised. Besides fulfilling essential ecological functions, it is a major source of drinking water. However, in the industrial area of Bitterfeld, it is contaminated with a multitude of harmful chemicals, including genotoxicants. Therefore, recently developed methodologies including preparative capillary gas chromatography (pcGC), MOLGEN-MS structure generation and mutagenicity prediction were applied within effect-directed analysis (EDA) to reduce sample complexity and to identify candidate mutagens in the samples. A major focus was put on the added value of these tools compared to conventional EDA combining reversed-phase liquid chromatography (RP-LC) followed by GC/MS analysis and MS library search., Materials and Methods: We combined genotoxicity testing with umuC and RP-LC with pcGC fractionation to isolate genotoxic compounds from a contaminated groundwater sample. Spectral library information from the NIST05 database was combined with a computer-based structure generation tool called MOLGEN-MS for structure elucidation of unknowns. Finally, we applied a computer model for mutagenicity prediction (ChemProp) to identify candidate mutagens and genotoxicants., Results and Discussion: A total of 62 components were tentatively identified in genotoxic fractions. Ten of these components were predicted to be potentially mutagenic, whilst 2,4,6-trichlorophenol, 2,4-dichloro-6-methylphenol and 4-chlorobenzoic acid were confirmed as genotoxicants., Conclusions and Perspectives: The results suggest pcGC as a high-resolution fractionation tool and MOLGEN-MS to improve structure elucidation, whilst mutagenicity prediction failed in our study to predict identified genotoxicants. Genotoxicity, mutagenicity and carcinogenicity caused by chemicals are complex processes, and prediction from chemical structure still appears to be quite difficult. Progress in this field would significantly support EDA and risk assessment of environmental mixtures.
- Published
- 2010
- Full Text
- View/download PDF
20. Identification of a phytotoxic photo-transformation product of diclofenac using effect-directed analysis.
- Author
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Schulze T, Weiss S, Schymanski E, von der Ohe PC, Schmitt-Jansen M, Altenburger R, Streck G, and Brack W
- Subjects
- Anti-Inflammatory Agents, Non-Steroidal chemistry, Anti-Inflammatory Agents, Non-Steroidal toxicity, Hydrophobic and Hydrophilic Interactions, Sunlight, Chlorophyta drug effects, Diclofenac chemistry, Diclofenac toxicity, Photolysis
- Abstract
The pharmaceutical diclofenac (DCF) is released in considerably high amounts to the aquatic environment. Photo-transformation of DCF was reported as the main degradation pathway in surface waters and was found to produce metabolites with enhanced toxicity to the green algae Scenedesmus vacuolatus. We identified and subsequently confirmed 2-[2-(chlorophenyl)amino]benzaldehyde (CPAB) as a transformation product with enhanced toxicity using effect-directed analysis. The EC(50) of CPAB (4.8 mg/L) was a factor of 10 lower than that for DCF (48.1 mg/L), due to the higher hydrophobicity of CPAB (log K(ow) = 3.62) compared with DCF (log D(ow) = 2.04) at pH 7.0., (Copyright 2009 Elsevier Ltd. All rights reserved.)
- Published
- 2010
- Full Text
- View/download PDF
21. The use of MS classifiers and structure generation to assist in the identification of unknowns in effect-directed analysis.
- Author
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Schymanski EL, Meinert C, Meringer M, and Brack W
- Abstract
Structure generation and mass spectral classifiers have been incorporated into a new method to gain further information from low-resolution GC-MS spectra and subsequently assist in the identification of toxic compounds isolated using effect-directed fractionation. The method has been developed for the case where little analytical information other than the mass spectrum is available, common, for example, in effect-directed analysis (EDA), where further interpretation of the mass spectra is necessary to gain additional information about unknown peaks in the chromatogram. Structure generation from a molecular formula alone rapidly leads to enormous numbers of structures; hence reduction of these numbers is necessary to focus identification or confirmation efforts. The mass spectral classifiers and structure generation procedure in the program MOLGEN-MS was enhanced by including additional classifier information available from the NIST05 database and incorporation of post-generation 'filtering criteria'. The presented method can reduce the number of possible structures matching a spectrum by several orders of magnitude, creating much more manageable data sets and increasing the chance of identification. Examples are presented to show how the method can be used to provide 'lines of evidence' for the identity of an unknown compound. This method is an alternative to library search of mass spectra and is especially valuable for unknowns where no clear library match is available.
- Published
- 2008
- Full Text
- View/download PDF
22. How to confirm identified toxicants in effect-directed analysis.
- Author
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Brack W, Schmitt-Jansen M, Machala M, Brix R, Barceló D, Schymanski E, Streck G, and Schulze T
- Subjects
- Predictive Value of Tests, Quantitative Structure-Activity Relationship, Reproducibility of Results, Sensitivity and Specificity, Water Pollutants, Chemical standards, Environmental Monitoring methods, Hazardous Substances analysis, Water Pollutants, Chemical analysis
- Abstract
Due to the production and use of a multitude of chemicals in modern society, waters, sediments, soils and biota may be contaminated with numerous known and unknown chemicals that may cause adverse effects on ecosystems and human health. Effect-directed analysis (EDA), combining biotesting, fractionation and chemical analysis, helps to identify hazardous compounds in complex environmental mixtures. Confirmation of tentatively identified toxicants will help to avoid artefacts and to establish reliable cause-effect relationships. A tiered approach to confirmation is suggested in the present paper. The first tier focuses on the analytical confirmation of tentatively identified structures. If straightforward confirmation with neat standards for GC-MS or LC-MS is not available, it is suggested that a lines-of-evidence approach is used that combines spectral library information with computer-based structure generation and prediction of retention behaviour in different chromatographic systems using quantitative structure-retention relationships (QSRR). In the second tier, the identified toxicants need to be confirmed as being the cause of the measured effects. Candidate components of toxic fractions may be selected based, for example, on structural alerts. Quantitative effect confirmation is based on joint effect models. Joint effect prediction on the basis of full concentration-response plots and careful selection of the appropriate model are suggested as a means to improve confirmation quality. Confirmation according to the Toxicity Identification Evaluation (TIE) concept of the US EPA and novel tools of hazard identification help to confirm the relevance of identified compounds to populations and communities under realistic exposure conditions. Promising tools include bioavailability-directed extraction and dosing techniques, biomarker approaches and the concept of pollution-induced community tolerance (PICT). [figure: see text]
- Published
- 2008
- Full Text
- View/download PDF
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