History of EPI Suite™ and future perspectives on chemical property estimation in US Toxic Substances Control Act new chemical risk assessments

Marcella L. Card, Vicente Gomez-Alvarez, Wen-Hsiung Lee, David G. Lynch, Nerija S. Orentas, Mari Titcombe Lee, Edmund M. Wong and Robert S. Boethling

Environ. Sci.: Processes Impacts, 2017, 19, 203
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Sulfate radical oxidation of aromatic contaminants: a detailed assessment of density functional theory and high-level quantum chemical methods

Sangavi Pari, Inger A. Wang, Haizhou Liu and Bryan M. Wong

Environ. Sci.: Processes Impacts, 2017, 19, 395
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In silico environmental chemical science: properties and processes from statistical and computational modelling

Paul G. Tratnyek, Eric J. Bylaska and Eric J. Weber

Environ. Sci.: Processes Impacts, 2017, 19, 188
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Single atom catalyst-mediated generation of reactive species in water treatment

Virender K. Sharma, Xingmao Ma and Radek Zboril

Chem. Soc. Rev., 2023, 52, 7673
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TP-Transformer: An Interpretable Model for Predicting the Transformation Pathways of Organic Pollutants in Chemical Oxidation Processes

Zhenhua Dai, Jihong Xu, Jian Guan, Mingyang Feng, Yang Liu, Cuili Xing, Xuanying Cai, Shuchen Wang, Lushi Lian, Hongyu Dong, Zhiyong Jason Ren, Wei Shi, Alicia Kyoungjin An, Shifa Zhong and Xiaohong Guan

Environ. Sci. Technol., 2025, 59, 15853
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QSAR modeling for the ozonation of diverse organic compounds in water

Yu Huang, Tiantian Li, Shanshan Zheng, Lingyun Fan, Limin Su, Yuanhui Zhao, Hong-Bin Xie and Chao Li

Science of The Total Environment, 2020, 715, 136816
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Oxidative Water Treatment: The Track Ahead

Yunho Lee, David L. Sedlak and Urs von Gunten

Environ. Sci. Technol., 2023, 57, 18391
DOI: 10.1021/acs.est.3c07785

Ozonation of Para-Substituted Phenolic Compounds Yields p-Benzoquinones, Other Cyclic α,β-Unsaturated Ketones, and Substituted Catechols

Peter R. Tentscher, Marc Bourgin and Urs von Gunten

Environ. Sci. Technol., 2018, 52, 4763
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Proposal for a tiered approach to evaluate the risk of transformation products formed from pesticide residues during drinking water treatment

Amandine Michel, Dominic Armbruster, Angelika Benz-Birck, Nina Deppermann, Reinhard Doetzer, Markus Flörs, Markus Frericks, Shanghua Li, Sebastian Gebler, Tom Schröder and Wolfram Seitz

Environ Sci Eur, 2022, 34
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Influence of water matrix on the degradation of organic micropollutants by ozone based processes: A review on oxidant scavenging mechanism

Anam Asghar, Holger V. Lutze, Jochen Tuerk and Torsten C. Schmidt

Journal of Hazardous Materials, 2022, 429, 128189
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Further transformation of the primary ozonation products of tramadol- and venlafaxine N-oxide: Mechanistic and structural considerations

Suman Kharel, Peter R. Tentscher and Kai Bester

Science of The Total Environment, 2022, 845, 157259
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Characterization of advanced wastewater treatment with ozone and activated carbon using LC-HRMS based non-target screening with automated trend assignment

Jennifer E. Schollée, Juliane Hollender and Christa S. McArdell

Water Research, 2021, 200, 117209
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Guidance document on the impact of water treatment processes on residues of active substances or their metabolites in water abstracted for the production of drinking water

Roberta Hofman‐Caris, Milou Dingemans, Astrid Reus, Sanah Majid Shaikh, Julian Muñoz Sierra, Ursula Karges, Tim aus der Beek, Eugénia Nogueiro, Christopher Lythgo, Juan Manuel Parra Morte, Maria Bastaki, Rositsa Serafimova, Anja Friel, Daniele Court Marques, Andreas Uphoff, Lucie Bielska, Claudio Putzu, Laura Ruggeri and Paschalina Papadaki

EFS2, 2023, 21
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Predicting reaction rate constants of ozone with ionic/non-ionic compounds in water

Xiao Zhang, Shaochen Li, Yandong Yang, Yuanhui Zhao, Jiao Qu and Chao Li

Science of The Total Environment, 2022, 835, 155501
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Ozonation of Gabapentin in Water─Investigating Reaction Kinetics and Transformation Mechanisms of a Primary Amine Using Isotopically Labeled Ozone

Emil Bein, Millaray Sierra Olea, Sophie Petersen, Jörg E. Drewes and Uwe Hübner

Environ. Sci. Technol., 2023, 57, 18825
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Elimination Efficiency of Synthetic Musks During the Treatment of Drinking Water with Ozonation and Uv-Based Advanced Oxidation Processes

Woorim Lee, Jaedon Shin, Minju Lee, Yegyun Choi, Heejong Son and Yunho Lee

SSRN Journal, 2022
DOI: 10.2139/ssrn.4061626

Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms

Peter R. Tentscher, Minju Lee and Urs von Gunten

Acc. Chem. Res., 2019, 52, 605
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Predicting Transformation Products during Aqueous Oxidation Processes: Current State and Outlook

Daisuke Minakata and Urs von Gunten

Environ. Sci. Technol., 2023, 57, 18410
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Towards modeling the generation of the transformation products of carbamazepine in polishing and oxidation water treatment processes

Jeanne Trognon, Jean-Marc Choubert and Claire Albasi

Journal of Cleaner Production, 2025, 486, 144517
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Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Daniela Trogolo, J. Samuel Arey and Peter R. Tentscher

J. Phys. Chem. A, 2019, 123, 517
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Integration of target analyses, non-target screening and effect-based monitoring to assess OMP related water quality changes in drinking water treatment

Andrea M. Brunner, Cheryl Bertelkamp, Milou M.L. Dingemans, Annemieke Kolkman, Bas Wols, Danny Harmsen, Wolter Siegers, Bram J. Martijn, Wim A. Oorthuizen and Thomas L. ter Laak

Science of The Total Environment, 2020, 705, 135779
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Efficiency of ozonation and O3/H2O2 as enhanced wastewater treatment processes for micropollutant abatement and disinfection with minimized byproduct formation

Woongbae Lee, Sangki Choi, Hyunjin Kim, Woorim Lee, Minju Lee, Heejong Son, Changha Lee, Min Cho and Yunho Lee

Journal of Hazardous Materials, 2023, 454, 131436
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Lignocellulosic Biomass Transformations via Greener Oxidative Pretreatment Processes: Access to Energy and Value-Added Chemicals

Walter Den, Virender K. Sharma, Mengshan Lee, Govind Nadadur and Rajender S. Varma

Front. Chem., 2018, 6
DOI: 10.3389/fchem.2018.00141

Evaluation of a full-scale wastewater treatment plant upgraded with ozonation and biological post-treatments: Abatement of micropollutants, formation of transformation products and oxidation by-products

Marc Bourgin, Birgit Beck, Marc Boehler, Ewa Borowska, Julian Fleiner, Elisabeth Salhi, Rebekka Teichler, Urs von Gunten, Hansruedi Siegrist and Christa S. McArdell

Water Research, 2018, 129, 486
DOI: 10.1016/j.watres.2017.10.036

Monitoring transformation product formation in the drinking water treatments rapid sand filtration and ozonation

Andrea Mizzi Brunner, Dennis Vughs, Wolter Siegers, Cheryl Bertelkamp, Roberta Hofman-Caris, Annemieke Kolkman and Thomas ter Laak

Chemosphere, 2019, 214, 801
DOI: 10.1016/j.chemosphere.2018.09.140

Formation and toxicity contribution of chlorinated and dechlorinated halobenzoquinones from dichlorophenols after ozonation

Zhourui Xu, Jianjian Wei, Aroob Abid, Zirui Liu, Yasen Wu, Jia Gu, Dehua Ma and Min Zheng

Science of The Total Environment, 2024, 914, 169860
DOI: 10.1016/j.scitotenv.2023.169860

Reactions of N,O- and N,S-Azoles and -Azolines with Ozone: Kinetics and Mechanisms

Simon A. Rath, Valentin Rougé, Julie Tolu, Daniel Rentsch, Maria Lia Halder and Urs von Gunten

Environ. Sci. Technol., 2025, 59, 14103
DOI: 10.1021/acs.est.5c01323

A critical review on the pathways of carbamazepine transformation products in oxidative wastewater treatment processes

Jeanne Trognon, Claire Albasi and Jean-Marc Choubert

Science of The Total Environment, 2024, 912, 169040
DOI: 10.1016/j.scitotenv.2023.169040

Oxidation Processes in Water Treatment: Are We on Track?

Urs von Gunten

Environ. Sci. Technol., 2018, 52, 5062
DOI: 10.1021/acs.est.8b00586

Formation of transformation products during ozonation of secondary wastewater effluent and their fate in post-treatment: From laboratory- to full-scale

Rebekka Gulde, Moreno Rutsch, Baptiste Clerc, Jennifer E. Schollée, Urs von Gunten and Christa S. McArdell

Water Research, 2021, 200, 117200
DOI: 10.1016/j.watres.2021.117200

Elimination efficiency of synthetic musks during the treatment of drinking water with ozonation and UV-based advanced oxidation processes

Woorim Lee, Jaedon Shin, Minju Lee, Yegyun Choi, Heejong Son and Yunho Lee

Science of The Total Environment, 2022, 844, 156915
DOI: 10.1016/j.scitotenv.2022.156915

Should Transformation Products Change the Way We Manage Chemicals?

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

Environ. Sci. Technol., 2024, 58, 7710
DOI: 10.1021/acs.est.4c00125

Black phosphorous-based nanostructures in environmental remediation: Current status and future perspectives

Mingbao Feng, Dionysios D. Dionysiou and Virender K. Sharma

Chemical Engineering Journal, 2020, 389, 123460
DOI: 10.1016/j.cej.2019.123460