NMR-based metabolomics as a significant tool for human nutritional research and health applications

Chandrama Roy Chowdhury, Digambar Kavitake, Krishna Kumar Jaiswal, Km Smriti Jaiswal, G. Bhanuprakash Reddy, Vishal Agarwal and Prathapkumar Halady Shetty

Food Bioscience, 2023, 53, 102538
DOI: 10.1016/j.fbio.2023.102538

Systemic investigation of di-isobutyl phthalate (DIBP) exposure in the risk of cardiovascular via influencing the gut microbiota arachidonic acid metabolism in obese mice model

Min Liu, Xifeng Du, Huifang Chen, Chenkai Bai and Lizhen Lan

Regenerative Therapy, 2024, 27, 290
DOI: 10.1016/j.reth.2024.03.024

Utility of in vivo metabolomics to support read-across for UVCB substances under REACH

H. Kamp, N. Aygun Kocabas, F. Faulhammer, N. Synhaeve, E. Rushton, B. Flick, V. Giri, S. Sperber, L. G. Higgins, M. G. Penman, B. van Ravenzwaay and M. Rooseboom

Arch Toxicol, 2024, 98, 755
DOI: 10.1007/s00204-023-03638-6

Integrating distribution kinetics and toxicodynamics to assess repeat dose neurotoxicity in vitro using human BrainSpheres: a case study on amiodarone

Carolina Nunes, Susana Proença, Giovanna Ambrosini, David Pamies, Aurélien Thomas, Nynke I. Kramer and Marie-Gabrielle Zurich

Front. Pharmacol., 2023, 14
DOI: 10.3389/fphar.2023.1248882

Scientific Opinion of the Scientific Panel on Plant Protection Products and their Residues (PPR Panel) on testing and interpretation of comparative in vitro metabolism studies

Antonio F Hernandez‐Jerez, Paulien Adriaanse, Annette Aldrich, Philippe Berny, Tamara Coja, Sabine Duquesne, Andreas Focks, Marina Marinovich, Maurice Millet, Olavi Pelkonen, Silvia Pieper, Aaldrik Tiktak, Christopher J Topping, Anneli Widenfalk, Martin Wilks, Gerrit Wolterink, Ursula Gundert‐Remy, Jochem Louisse, Serge Rudaz, Emanuela Testai, Alfonso Lostia, Jean‐Lou Dorne and Juan Manuel Parra Morte

EFS2, 2021, 19
DOI: 10.2903/j.efsa.2021.6970

Modeling HepaRG metabolome responses to pyrrolizidine alkaloid exposure for insight into points of departure and modes of action

Estelle Dubreil, Keyvin Darney, Marie-Laure Delignette-Muller, Audrey Barranger, Sylvie Huet, Kevin Hogeveen, Thibaut Léger, Valérie Fessard and Ludovic Le Hégarat

Journal of Hazardous Materials, 2024, 474, 134721
DOI: 10.1016/j.jhazmat.2024.134721

Metabolites in the regulatory risk assessment of pesticides in the EU

Olavi Pelkonen, Khaled Abass, Juan Manuel Parra Morte, Martina Panzarea, Emanuela Testai, Serge Rudaz, Jochem Louisse, Ursula Gundert-Remy, Gerrit Wolterink, Dorne Jean-Lou CM, Sandra Coecke and Camilla Bernasconi

Front. Toxicol., 2023, 5
DOI: 10.3389/ftox.2023.1304885

Study on the differences of active ingredients among different medicinal parts of Angelica sinensis (Oliv.) based on LC-MS combined with multivariate statistical analysis

Weibo QIN, Haipeng TANG, Xuehui TAO, Yu GENG, Mengjie TANG, Kangyu WANG, Guangzhi CAI, Jiyu GONG, Yunlong GUO, Xiangzhu YAN and Wenyi GAO

Chinese Journal of Analytical Chemistry, 2025, 53, 100486
DOI: 10.1016/j.cjac.2024.100486

Molybdenum-Induced Oxidative and Inflammatory Injury and Metabolic Pathway Disruption in Goat Pancreas

Longfei Li, Yang Ran and Xiaoyun Shen

Metabolites, 2025, 15, 541
DOI: 10.3390/metabo15080541

Metabolomics in environmental toxicology: Applications and challenges

Carmen Bedia

Trends in Environmental Analytical Chemistry, 2022, 34, e00161
DOI: 10.1016/j.teac.2022.e00161

A clinical chemical atlas of xenobiotic toxicity for the Sprague–Dawley rat

Janonna Kadyrov, Samuele Sala, Lucy Grigoroff, Novia Minaee, Reika Masuda, Samantha Lodge, Timothy M. Ebbels, Michael D. Reily, Donald Robertson, Lois Lehman-McKeeman, John Shockcor, Bruce D. Car, Glenn H. Cantor, John C. Lindon, Jeremy K. Nicholson, Elaine Holmes and Julien Wist

Arch Toxicol, 2025, 99, 2669
DOI: 10.1007/s00204-025-04008-0

Metabolomics Approach in Environmental Studies: Methodologies, Application and Challenges

Abdulwasiu Olawale Salaudeen and Lim Vuanghao

Critical Reviews in Analytical Chemistry, 2025, 1
DOI: 10.1080/10408347.2025.2521734

Toxicometabolomics-based cardiotoxicity evaluation of Thiazolidinedione exposure in human-derived cardiomyocytes

Abdullah Al Sultan, Zahra Rattray and Nicholas J. W. Rattray

Metabolomics, 2024, 20
DOI: 10.1007/s11306-024-02097-z

Considerations for application of benchmark dose modeling in radiation research: workshop highlights

Vinita Chauhan, Jihang Yu, Ngoc Vuong, Lynne T. Haber, Andrew Williams, Scott S. Auerbach, Danielle Beaton, Yi Wang, Robert Stainforth, Ruth C. Wilkins, Edouard I. Azzam, Richard B. Richardson, Md Gulam Musawwir Khan, Ashok Jadhav, Julie J. Burtt, Julie Leblanc, Kristi Randhawa, Knut Erik Tollefsen and Carole L. Yauk

International Journal of Radiation Biology, 2023, 99, 1320
DOI: 10.1080/09553002.2023.2181998

Derivation of metabolic point of departure using high-throughput in vitro metabolomics: investigating the importance of sampling time points on benchmark concentration values in the HepaRG cell line

Julia M. Malinowska, Taina Palosaari, Jukka Sund, Donatella Carpi, Ralf J. M. Weber, Gavin R. Lloyd, Maurice Whelan and Mark R. Viant

Arch Toxicol, 2023, 97, 721
DOI: 10.1007/s00204-022-03439-3

Metabolomic insights of cultured meat compared to conventional meat

Heejung Park, IHyeon Cho, Sojeong Heo, Kisoo Han, Young-jin Baek, Wan-sup Sim and Do-Won Jeong

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-00719-7

A high-throughput metabolomics in vitro platform for the characterization of hepatotoxicity

Sabina Ramirez-Hincapie, Barbara Birk, Philipp Ternes, Varun Giri, Volker Haake, Michael Herold, Franziska Maria Zickgraf, Andreas Verlohner, Hans-Albrecht Huener, Hennicke Kamp, Peter Driemert, Robert Landsiedel, Elke Richling, Dorothee Funk-Weyer and Bennard van Ravenzwaay

Cell Biol Toxicol, 2023, 39, 2899
DOI: 10.1007/s10565-023-09809-6

Extended Steroid Profiling in Human Serum and Plasma With Simultaneous Quantitative Determination Using One‐Point Internal Calibration

Mathieu Galmiche, Oriane Strassel, Marie‐Anaïs Monat, Isabel Meister, Julien Boccard and Serge Rudaz

J of Separation Science, 2025, 48
DOI: 10.1002/jssc.70147

MultANOVA Followed by Post Hoc Analyses for Designed High‐Dimensional Data: A Comprehensive Framework That Outperforms ASCA, rMANOVA, and VASCA

Benjamin Mahieu and Véronique Cariou

Journal of Chemometrics, 2025, 39
DOI: 10.1002/cem.70039

Optimization of Mass Spectrometric Parameters in Data Dependent Acquisition for Untargeted Metabolomics on the Basis of Putative Assignments

Hailemariam Abrha Assress, Mario G. Ferruzzi and Renny S. Lan

J. Am. Soc. Mass Spectrom., 2023, 34, 1621
DOI: 10.1021/jasms.3c00084

Towards Unbiased Evaluation of Ionization Performance in LC-HRMS Metabolomics Method Development

Carsten Jaeger and Jan Lisec

Metabolites, 2022, 12, 426
DOI: 10.3390/metabo12050426

The evolving role of investigative toxicology in the pharmaceutical industry

Francois Pognan, Mario Beilmann, Harrie C. M. Boonen, Andreas Czich, Gordon Dear, Philip Hewitt, Tomas Mow, Teija Oinonen, Adrian Roth, Thomas Steger-Hartmann, Jean-Pierre Valentin, Freddy Van Goethem, Richard J. Weaver and Peter Newham

Nat Rev Drug Discov, 2023, 22, 317
DOI: 10.1038/s41573-022-00633-x

Combined cytotoxicity of phthalate esters on HepG2 cells: A comprehensive analysis of transcriptomics and metabolomics

Yanjie Dong, Da Cai, Chao Liu, Shancang Zhao and Lei Wang

Food and Chemical Toxicology, 2023, 180, 114034
DOI: 10.1016/j.fct.2023.114034

Metabolomics in Preclinical Drug Safety Assessment: Current Status and Future Trends

Fenna Sillé and Thomas Hartung

Metabolites, 2024, 14, 98
DOI: 10.3390/metabo14020098

Environmental Antidepressants Disrupt Metabolic Pathways in Spirostomum ambiguum and Daphnia magna: Insights from LC-MS-Based Metabolomics

Artur Jędreas, Sylwia Michorowska, Agata Drobniewska and Joanna Giebułtowicz

Molecules, 2025, 30, 2952
DOI: 10.3390/molecules30142952

Toxicometabolomics: Small Molecules to Answer Big Toxicological Questions

Ana Margarida Araújo, Félix Carvalho, Paula Guedes de Pinho and Márcia Carvalho

Metabolites, 2021, 11, 692
DOI: 10.3390/metabo11100692

Application of high throughput in vitro metabolomics for hepatotoxicity mode of action characterization and mechanistic-anchored point of departure derivation: a case study with nitrofurantoin

Sabina Ramirez-Hincapie, Barbara Birk, Philipp Ternes, Varun Giri, Franziska Maria Zickgraf, Volker Haake, Michael Herold, Hennicke Kamp, Peter Driemert, Robert Landsiedel, Elke Richling, Dorothee Funk-Weyer and Bennard van Ravenzwaay

Arch Toxicol, 2023, 97, 2903
DOI: 10.1007/s00204-023-03572-7

Hyphenation of microflow chromatography with electrospray ionization mass spectrometry for bioanalytical applications focusing on low molecular weight compounds: A tutorial review

Sergey Girel, Isabel Meister, Gaetan Glauser and Serge Rudaz

Mass Spectrometry Reviews, 2025, 44, 491
DOI: 10.1002/mas.21898

Metabolomics in Retinal Diseases: An Update

Xing Li, Shichang Cai, Zhiming He, James Reilly, Zhihong Zeng, Niall Strang and Xinhua Shu

Biology, 2021, 10, 944
DOI: 10.3390/biology10100944

A pioneer study on human 3‐nitropropionic acid intoxication: Contributions from metabolomics

Hanne Bendiksen Skogvold, Mazyar Yazdani, Elise Mørk Sandås, Anja Østeby Vassli, Erle Kristensen, Dagfinn Haarr, Helge Rootwelt and Katja Benedikte Prestø Elgstøen

J of Applied Toxicology, 2022, 42, 818
DOI: 10.1002/jat.4259

Comparison of popular enrichment methods for untargeted in vitro metabolomics

Yannik Schermer, Frederic Wagner, Simone Stegmüller and Elke Richling

Metabolomics, 2025, 21
DOI: 10.1007/s11306-025-02309-0

Towards a greener future: The role of sustainable methodologies in metabolomics research

Chiara Spaggiari, Kgalaletso Othibeng, Fidele Tugizimana, Gabriele Rocchetti and Laura Righetti

Advances in Sample Preparation, 2025, 14, 100186
DOI: 10.1016/j.sampre.2025.100186

Mass Spectrometry-Based Zebrafish Toxicometabolomics: A Review of Analytical and Data Quality Challenges

Katyeny Manuela da Silva, Elias Iturrospe, Chloe Bars, Dries Knapen, Steven Van Cruchten, Adrian Covaci and Alexander L. N. van Nuijs

Metabolites, 2021, 11, 635
DOI: 10.3390/metabo11090635

Metabolomics analysis reveals how water extract of Gastrodia elata helps against heroin addiction

Liang Li, Haijie Cao, Jieyan Li, Haixue Kuang, Zhengzheng Zhou and Qiuhong Wang

Pharmacological Research - Modern Chinese Medicine, 2022, 3, 100071
DOI: 10.1016/j.prmcm.2022.100071

Integrative analysis of toxicometabolomics and toxicoproteomics data: new molecular insights into thiazolidinedione-induced cardiotoxicity

Abdullah Al Sultan, Zahra Rattray and Nicholas J. W. Rattray

Metabolomics, 2024, 21
DOI: 10.1007/s11306-024-02201-3

Metabolomics and lipidomics to identify biomarkers of effect related to exposure to non-dioxin-like polychlorinated biphenyls in pigs

Maykel Hernández-Mesa, Luca Narduzzi, Sadia Ouzia, Nicolas Soetart, Laetitia Jaillardon, Yann Guitton, Bruno Le Bizec and Gaud Dervilly

Chemosphere, 2022, 296, 133957
DOI: 10.1016/j.chemosphere.2022.133957