Integrated data-driven cross-disciplinary framework to prevent chemical water pollution

One Earth - Tập 6 - Trang 952-963 - 2023
Mohamed Ateia1,2, Gabriel Sigmund3,4, Michael J. Bentel5, John W. Washington6, Adelene Lai7,8, Nathaniel H. Merrill9, Zhanyun Wang10
1United States Environmental Protection Agency, Center for Environmental Solutions & Emergency Response, Cincinnati, OH 45220, USA
2Department of Chemical and Biomolecular Engineering, Rice University, Houston, TX, USA
3Environmental Geosciences, Centre for Microbiology and Environmental Systems Science, University of Vienna, Josef-Holaubeck-Platz 2, 1090 Vienna, Austria
4Environmental Technology, Wageningen University & Research, P.O. Box 17, 6700 AA Wageningen, The Netherlands
5Department of Environmental Engineering and Earth Sciences, Clemson University, Clemson, SC 29634, USA
6United States Environmental Protection Agency, Center for Environmental Measurement and Modeling, Athens, GA 30605, USA
7Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6, Avenue du Swing, 4367 Belvaux, Luxembourg
8Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University, 07743 Jena, Germany
9United States Environmental Protection Agency, Center for Environmental Measurement and Modeling, Narragansett, RI, USA
10Empa − Swiss Federal Laboratories for Materials Science and Technology, Technology and Society Laboratory, 9014 St. Gallen, Switzerland

Tài liệu tham khảo

Backhaus, 2012, The impact of chemical pollution on biodiversity and ecosystem services: the need for an improved understanding, Integrated Environ. Assess. Manag., 8, 575, 10.1002/ieam.1353

Groh, 2022, Anthropogenic Chemicals As Underestimated Drivers of Biodiversity Loss: Scientific and Societal Implications, Environ. Sci. Technol., 56, 707, 10.1021/acs.est.1c08399

Andrews, 2020, Population-wide exposure to per-and polyfluoroalkyl substances from drinking water in the United States, Environ. Sci. Technol. Lett., 7, 931, 10.1021/acs.estlett.0c00713

Wilkinson, 2022, Pharmaceutical pollution of the world’s rivers, Proc. Natl. Acad. Sci. USA, 119, 10.1073/pnas.2113947119

Baste, 2021

Podgorski, 2020, Global threat of arsenic in groundwater, Science, 368, 845, 10.1126/science.aba1510

Wang, 2021, First steps toward sustainable circular uses of chemicals: advancing the assessment and management paradigm, ACS Sustain. Chem. Eng., 9, 6939, 10.1021/acssuschemeng.1c00243

2023

Fuller, 2022, Pollution and health: a progress update, Lancet Planet. Health, 6, 10.1016/S2542-5196(22)00090-0

Alabaster, 2021

Wang, 2020, Toward a global understanding of chemical pollution: a first comprehensive analysis of national and regional chemical inventories, Environ. Sci. Technol., 54, 2575, 10.1021/acs.est.9b06379

Cordner, 2021, The true cost of PFAS and the benefits of acting now, Environ. Sci. Technol., 55, 9630, 10.1021/acs.est.1c03565

2021

2022

Obsekov, 2023, Leveraging Systematic Reviews to Explore Disease Burden and Costs of Per-and Polyfluoroalkyl Substance Exposures in the United States, Expo. Health, 15, 373, 10.1007/s12403-022-00496-y

Zabel, 2012, A hedonic analysis of the impact of LUST sites on house prices, Resour. Energy Econ., 34, 549, 10.1016/j.reseneeco.2012.05.006

Díaz, 2019

Daneshvar, 2016, Evaluating stream health based environmental justice model performance at different spatial scales, J. Hydrol., 538, 500, 10.1016/j.jhydrol.2016.04.052

Whitehead, 2019, Childhood lead poisoning: a perpetual environmental justice issue?, J. Publ. Health Manag. Pract., 25

Moeng, 2019, Community perceptions on the health risks of acid mine drainage: the environmental justice struggles of communities near mining fields. Environment, Environ. Dev. Sustain., 21, 2619, 10.1007/s10668-018-0149-4

Tariqi, 2021, Water, health, and environmental justice in California: Geospatial analysis of nitrate contamination and thyroid cancer, Environ. Eng. Sci., 38, 377, 10.1089/ees.2020.0315

Rodhe, 1969, Crystallization of eutrophication concepts in northern Europe, 50

Lofrano, 2010, Wastewater management through the ages: A history of mankind, Sci. Total Environ., 408, 5254, 10.1016/j.scitotenv.2010.07.062

Schwarzenbach, 2006, The challenge of micropollutants in aquatic systems, Science, 313, 1072, 10.1126/science.1127291

Joss, 2008, Are we about to upgrade wastewater treatment for removing organic micropollutants?, Water Sci. Technol., 57, 251, 10.2166/wst.2008.825

Wagner, 2022, Legal obstacles to toxic chemical research, Science, 375, 138, 10.1126/science.abl4383

Orive, 2022, Greening the pharmacy, Science, 377, 259, 10.1126/science.abp9554

Evich, 2022, Per-and polyfluoroalkyl substances in the environment, Science, 375, 10.1126/science.abg9065

Sigmund, 2023, Addressing chemical pollution in biodiversity research, Global Change Biol., 29, 3240, 10.1111/gcb.16689

Ateia, 2023, Sunrise of PFAS Replacements: A Perspective on Fluorine-Free Foams, ACS Sustain. Chem. Eng., 11, 7986, 10.1021/acssuschemeng.3c01124

Hale, 2020, Persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances pose an equivalent level of concern to persistent, bioaccumulative and toxic (PBT) and very persistent and very bioaccumulative (vPvB) substances under REACH, Environ. Sci. Eur., 32, 155, 10.1186/s12302-020-00440-4

Hale, 2022, 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, Environ. Sci. Eur., 34, 22, 10.1186/s12302-022-00604-4

Chen, 2022, Global Historical Production, Use, In-Use Stocks, and Emissions of Short-Medium-and Long-Chain Chlorinated Paraffins, Environ. Sci. Technol., 56, 7895, 10.1021/acs.est.2c00264

Arp, 2020, Could we spare a moment of the spotlight for persistent, water-soluble polymers?, Environ. Sci. Technol., 54, 3, 10.1021/acs.est.9b07089

Eggen, 2014, Reducing the discharge of micropollutants in the aquatic environment: the benefits of upgrading wastewater treatment plants, Environ. Sci. Technol., 48, 7683, 10.1021/es500907n

Lohman, 2002, A history of dry cleaners and sources of solvent releases from dry cleaning equipment, Environ. Forensics, 3, 35, 10.1006/enfo.2002.0079

Huang, 2012, Bisphenol A (BPA) in China: a review of sources, environmental levels, and potential human health impacts, Gene X., 498, 91

Wang, 2014, Global emission inventories for C4–C14 perfluoroalkyl carboxylic acid (PFCA) homologues from 1951 to 2030, Part I: production and emissions from quantifiable sources, Environ. Int., 70, 62, 10.1016/j.envint.2014.04.013

Fenton, 2021, Per-and polyfluoroalkyl substance toxicity and human health review: Current state of knowledge and strategies for informing future research, Environ. Toxicol. Chem., 40, 606, 10.1002/etc.4890

Vierke, 2012, Perfluorooctanoic acid (PFOA)—main concerns and regulatory developments in Europe from an environmental point of view, Environ. Sci. Eur., 24, 10.1186/2190-4715-24-16

Prevedouros, 2006, Sources, fate and transport of perfluorocarboxylates, Environ. Sci. Technol., 40, 32, 10.1021/es0512475

Wang, 2014, Global emission inventories for C4–C14 perfluoroalkyl carboxylic acid (PFCA) homologues from 1951 to 2030, part II: The remaining pieces of the puzzle, Environ. Int., 69, 166, 10.1016/j.envint.2014.04.006

2019

Wang, 2017, A never-ending story of per-and polyfluoroalkyl substances (PFASs)?, Environ. Sci. Technol., 51, 2508, 10.1021/acs.est.6b04806

Wang, 2013, Fluorinated alternatives to long-chain perfluoroalkyl carboxylic acids (PFCAs), perfluoroalkane sulfonic acids (PFSAs) and their potential precursors, Environ. Int., 60, 242, 10.1016/j.envint.2013.08.021

2021

2016

Vakili, 2021, Removal of HFPO-DA (GenX) from aqueous solutions: A mini-review, Chem. Eng. J., 424, 10.1016/j.cej.2021.130266

Di Guardo, 2018, Environmental fate and exposure models: advances and challenges in 21 st century chemical risk assessment, Environ. Sci. Process. Impacts, 20, 58, 10.1039/C7EM00568G

Awfa, 2021, Application of Quantitative Structure–Property Relationship Predictive Models to Water Treatment: A Critical Review, ACS ES. T. Water, 1, 498, 10.1021/acsestwater.0c00206

Scharf, 2010, Comparison of batch sorption tests, pilot studies, and modeling for estimating GAC bed life, Water Res., 44, 769, 10.1016/j.watres.2009.10.018

Jin, 2011, Boric acid permeation in forward osmosis membrane processes: modeling, experiments, and implications, Environ. Sci. Technol., 45, 2323, 10.1021/es103771a

Yang, 2022, Machine learning enables interpretable discovery of innovative polymers for gas separation membranes, Sci. Adv., 8

White, 2023, The future of chemistry is language, Nat. Rev. Chem, 1

Pyzer-Knapp, 2022, Accelerating materials discovery using artificial intelligence, high performance computing and robotics, npj Comput. Mater., 8, 84, 10.1038/s41524-022-00765-z

Elton, 2019, Deep learning for molecular design—a review of the state of the art, Mol. Syst. Des. Eng., 4, 828, 10.1039/C9ME00039A

Houck, 2021, Bioactivity profiling of per-and polyfluoroalkyl substances (PFAS) identifies potential toxicity pathways related to molecular structure, Toxicology, 457, 10.1016/j.tox.2021.152789

Limban, 2018, The use of structural alerts to avoid the toxicity of pharmaceuticals, Toxicol Rep, 5, 943, 10.1016/j.toxrep.2018.08.017

van Dijk, 2022, Safe and sustainable by design: A computer-based approach to redesign chemicals for reduced environmental hazards, Chemosphere, 296, 10.1016/j.chemosphere.2022.134050

Suk, 2023, Identification of environmentally biodegradable scaffolds for the benign design of quinolones and related substances, Sustainable Chemistry and Pharmacy, 31, 10.1016/j.scp.2022.100947

Ulrich, 2018, Enantiomer-specific measurements of current-use pesticides in aquatic systems, Environ. Toxicol. Chem., 37, 99, 10.1002/etc.3938

Latino, 2017, Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data, Environ. Sci.: Process. Impacts, 19, 449

Tian, 2021, A ubiquitous tire rubber–derived chemical induces acute mortality in coho salmon, Science, 371, 185, 10.1126/science.abd6951

Tian, 2022, 6PPD-Quinone: Revised Toxicity Assessment and Quantification with a Commercial Standard, Environ. Sci. Technol. Lett., 9, 140, 10.1021/acs.estlett.1c00910

Simm, 2019, Exploration of reaction pathways and chemical transformation networks, J. Phys. Chem. A, 123, 385, 10.1021/acs.jpca.8b10007

Engkvist, 2018, Computational prediction of chemical reactions: current status and outlook, Drug Discov. Today, 23, 1203, 10.1016/j.drudis.2018.02.014

Cuperlovic-Culf, 2018, Machine learning methods for analysis of metabolic data and metabolic pathway modeling, Metabolites, 8, 4, 10.3390/metabo8010004

Clark, 2021, Using Machine Learning to Parse Chemical Mixture Descriptions, ACS Omega, 6, 22400, 10.1021/acsomega.1c03311

Lai, 2022, The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs), Environ. Sci. Technol., 56, 7448, 10.1021/acs.est.2c00321

Wang, 2021, Time to Reveal Chemical Identities of Polymers and UVCBs, Environ. Sci. Technol., 55, 14473, 10.1021/acs.est.1c05620

Rajan, 2021, STOUT: SMILES to IUPAC names using neural machine translation, J. Cheminform., 13

McKay, 2022, Surge: a fast open-source chemical graph generator, J. Cheminform., 14, 24, 10.1186/s13321-022-00604-9

Yirik, 2021, MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle, J. Cheminform., 13

Strynar, 2015, Identification of novel perfluoroalkyl ether carboxylic acids (PFECAs) and sulfonic acids (PFESAs) in natural waters using accurate mass time-of-flight mass spectrometry (TOFMS), Environ. Sci. Technol., 49, 11622, 10.1021/acs.est.5b01215

Washington, 2020, Nontargeted mass-spectral detection of chloroperfluoropolyether carboxylates in New Jersey soils, Science, 368, 1103, 10.1126/science.aba7127

Weber, 2022, Development of a PFAS reaction library: identifying plausible transformation pathways in environmental and biological systems, Environ. Sci. Process. Impacts, 24, 689, 10.1039/D1EM00445J

Washington, 2015, Identification of unsaturated and 2H polyfluorocarboxylate homologous series and their detection in environmental samples and as polymer degradation products, Environ. Sci. Technol., 49, 13256, 10.1021/acs.est.5b03379

Sleight, 2020, Network analysis for prioritizing biodegradation metabolites of polycyclic aromatic hydrocarbons, Environ. Sci. Technol., 54, 10735, 10.1021/acs.est.0c02217

2020

Djoumbou-Feunang, 2019, BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification, J. Cheminform., 11, 2, 10.1186/s13321-018-0324-5

Evich, 2022, Environmental Fate of Cl-PFPECAs: Predicting the Formation of PFAS Transformation Products in New Jersey Soils, Environ. Sci. Technol., 56, 7779, 10.1021/acs.est.1c06126

Sigmund, 2022, Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment, Environ. Sci. Technol., 56, 4702, 10.1021/acs.est.2c00570

Neuwald, 2021, Filling the knowledge gap: A suspect screening study for 1310 potentially persistent and mobile chemicals with SFC-and HILIC-HRMS in two German river systems, Water Res., 204, 10.1016/j.watres.2021.117645

Man, 2021, Application of the Deep Learning Algorithm to Identify the Spatial Distribution of Heavy Metals at Contaminated Sites, ACS ES. T. Eng., 2, 158, 10.1021/acsestengg.1c00224

Coley, 2020, Autonomous discovery in the chemical sciences part I: Progress, Angew. Chem. Int. Ed. Engl., 59, 22858, 10.1002/anie.201909987

Coley, 2020, Autonomous discovery in the chemical sciences part II: outlook, Angew. Chem. Int. Ed. Engl., 59, 23414, 10.1002/anie.201909989

Grimstein, 2019, Physiologically based pharmacokinetic modeling in regulatory science: an update from the US Food and Drug Administration’s Office of Clinical Pharmacology, J. Pharm. Sci., 108, 21, 10.1016/j.xphs.2018.10.033

Steffen, 2015, Planetary boundaries: Guiding human development on a changing planet, Science, 347, 10.1126/science.1259855

Persson, 2022, Outside the safe operating space of the planetary boundary for novel entities, Environ. Sci. Technol., 56, 1510, 10.1021/acs.est.1c04158

Lakshminarasimhan, 2022, Solar-driven water treatment: the path forward for the energy–water nexus, 337

Cansino-Loeza, 2022, A water-energy-food security nexus framework based on optimal resource allocation, Environ. Sci. Pol., 133, 1, 10.1016/j.envsci.2022.03.006

Alam, 2022, Applications of artificial intelligence in water treatment for optimization and automation of adsorption processes: Recent advances and prospects, Chem. Eng. J., 427, 10.1016/j.cej.2021.130011

Lohani, 2008, Seasonal variations of heavy metal contamination in river Gomti of Lucknow city region, Environ. Monit. Assess., 147, 253, 10.1007/s10661-007-0117-1

2012

Scheffler, 2022, FAIR data enabling new horizons for materials research, Nature, 604, 635, 10.1038/s41586-022-04501-x

Klemes, 2020, Polymerized molecular receptors as adsorbents to remove micropollutants from water, Acc. Chem. Res., 53, 2314, 10.1021/acs.accounts.0c00426

Bui, 2019, Introduction to recent advances in water and wastewater treatment technologies, Water and wastewater treatment technologies, 3

Zhongming, 2021

Gingerich, 2018, Retrofitting the regulated power plant: optimizing energy allocation to electricity generation, water treatment, and carbon capture processes at coal-fired generating facilities, ACS Sustain. Chem. Eng., 6, 2694, 10.1021/acssuschemeng.7b04316

Clark, 2022, Resin-Mediated pH Control of Metal-Loaded Ligand Exchangers for Selective Nitrogen Recovery from Wastewaters, ACS Appl. Mater. Interfaces, 14, 22950, 10.1021/acsami.1c22316

Zhang, 2022, Feasible synthesis of a novel and low-cost seawater-modified biochar and its potential application in phosphate removal/recovery from wastewater, Sci. Total Environ., 824, 10.1016/j.scitotenv.2022.153833

Cho, 2022, Novel process design of desalination wastewater recovery for CO2 and SOX utilization, Chem. Eng. J., 433, 10.1016/j.cej.2021.133602

Taghvaie Nakhjiri, 2022, Recovery of precious metals from industrial wastewater towards resource recovery and environmental sustainability: A critical review, Desalination, 527, 10.1016/j.desal.2021.115510

Zhang, 2022, Circular economy is game-changing municipal wastewater treatment technology towards energy and carbon neutrality, Chem. Eng. J., 429

Rogers, 2003, Risk analysis under uncertainty, the Precautionary Principle, and the new EU chemicals strategy, Regul. Toxicol. Pharmacol., 37, 370, 10.1016/S0273-2300(03)00030-8

Schymanski, 2017, Open science for identifying “known unknown” chemicals, Environ. Sci. Technol., 51, 5357, 10.1021/acs.est.7b01908

Schymanski, 2021, FAIR chemical structures in the Journal of Cheminformatics, J. Cheminform., 13, 50, 10.1186/s13321-021-00520-4

2022

2022

2011

2022

Blumenthal, 2022, Time to Break the “Lock-In” Impediments to Chemicals Management, Environ. Sci. Technol., 56, 3863, 10.1021/acs.est.1c06615

2020

2018

2020

Hanisch, 2022, Stop squandering data: make units of measurement machine-readable, Nature, 605, 222, 10.1038/d41586-022-01233-w

Thông tin
Thông tin xuất bản

One Earth

Tập 6

952-963

Thông tin tác giả