{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T05:00:12Z","timestamp":1790830812105,"version":"4.1.0"},"reference-count":27,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T00:00:00Z","timestamp":1625097600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T00:00:00Z","timestamp":1625097600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T00:00:00Z","timestamp":1625097600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T00:00:00Z","timestamp":1625097600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T00:00:00Z","timestamp":1625097600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T00:00:00Z","timestamp":1625097600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T00:00:00Z","timestamp":1625097600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["NRF-2018M3A9F3020970"],"award-info":[{"award-number":["NRF-2018M3A9F3020970"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003569","name":"Korea Ministry of Food and Drug Safety","doi-asserted-by":"publisher","award":["19162MFDS099"],"award-info":[{"award-number":["19162MFDS099"]}],"id":[{"id":"10.13039\/501100003569","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Chromatography A"],"published-print":{"date-parts":[[2021,7]]},"DOI":"10.1016\/j.chroma.2021.462222","type":"journal-article","created":{"date-parts":[[2021,5,8]],"date-time":"2021-05-08T00:15:23Z","timestamp":1620432923000},"page":"462222","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":10,"special_numbering":"C","title":["A systematic approach to metabolic characterization of thyroid-disrupting chemicals and their in vitro biotransformants based on prediction-assisted metabolomic analysis"],"prefix":"10.1016","volume":"1649","author":[{"given":"Byung Kwan","family":"Jeon","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yurim","family":"Jang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Eun Mi","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Da Woon","family":"Jung","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ji Hyun","family":"Moon","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hong Jin","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Do Yup","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.chroma.2021.462222_bib0001","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1038\/s41574-019-0273-8","article-title":"Consensus on the key characteristics of endocrine-disrupting chemicals as a basis for hazard identification","volume":"16","author":"La Merrill","year":"2020","journal-title":"Nature Rev. Endocrinol."},{"key":"10.1016\/j.chroma.2021.462222_bib0002","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1002\/rmb2.12006","article-title":"Molecular mechanism of estrogen\u2013estrogen receptor signaling","volume":"16","author":"Ya\u015far","year":"2017","journal-title":"Reproduct. Med. Biol."},{"key":"10.1016\/j.chroma.2021.462222_bib0003","first-page":"331","article-title":"In vitro metabolism and bioavailability tests for endocrine active substances: what is needed next for regulatory purposes?","volume":"30","author":"Jacobs","year":"2013","journal-title":"ALTEX-Alternat. Animal Experim."},{"key":"10.1016\/j.chroma.2021.462222_bib0004","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1016\/j.reprotox.2017.11.005","article-title":"Incorporation of metabolic enzymes to improve predictivity of reporter gene assay results for estrogenic and anti-androgenic activity","volume":"75","author":"van Vugt-Lussenburg","year":"2018","journal-title":"Reproduct. Toxicol."},{"key":"10.1016\/j.chroma.2021.462222_bib0005","doi-asserted-by":"crossref","DOI":"10.1016\/j.scitotenv.2020.141468","article-title":"Optimization of a pre-metabolization procedure using rat liver S9 and cell-extracted S9 in the Ames fluctuation test","volume":"749","author":"Shao","year":"2020","journal-title":"Sci. Total Environ."},{"key":"10.1016\/j.chroma.2021.462222_bib0006","article-title":"European food safety authority, modern methodologies and tools for human hazard assessment of chemicals","volume":"12","year":"2014","journal-title":"EFSA J."},{"key":"10.1016\/j.chroma.2021.462222_bib0007","doi-asserted-by":"crossref","first-page":"550","DOI":"10.1089\/omi.2012.0121","article-title":"Postgenomics diagnostics: metabolomics approaches to human blood profiling","volume":"17","author":"Trifonova","year":"2013","journal-title":"OMICS"},{"key":"10.1016\/j.chroma.2021.462222_bib0008","doi-asserted-by":"crossref","DOI":"10.1002\/0471142727.mb3002s98","article-title":"Targeted metabolomics","volume":"98","author":"Roberts","year":"2012","journal-title":"Current Protocol. Molecular Biol."},{"key":"10.1016\/j.chroma.2021.462222_bib0009","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1007\/s11306-012-0434-4","article-title":"Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics","volume":"9","author":"Dunn","year":"2013","journal-title":"Metabolomics"},{"key":"10.1016\/j.chroma.2021.462222_bib0010","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1016\/j.jpba.2013.06.032","article-title":"Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics","volume":"87","author":"Gika","year":"2014","journal-title":"J. Pharmaceut. Biomed. Anal."},{"key":"10.1016\/j.chroma.2021.462222_bib0011","doi-asserted-by":"crossref","first-page":"318","DOI":"10.1016\/j.chroma.2007.04.021","article-title":"Data processing for mass spectrometry-based metabolomics","volume":"1158","author":"Katajamaa","year":"2007","journal-title":"J. Chromatogr. A"},{"key":"10.1016\/j.chroma.2021.462222_bib0012","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1016\/S0928-0987(02)00185-9","article-title":"In silico prediction of ADME and pharmacokinetics - report of an expert meeting organised by COST B15","volume":"17","author":"Boobis","year":"2002","journal-title":"Eur. J. Pharmaceut. Sci."},{"key":"10.1016\/j.chroma.2021.462222_bib0013","doi-asserted-by":"crossref","DOI":"10.1186\/s13068-020-01681-4","article-title":"Development and characterization of a Nannochloropsis mutant with simultaneously enhanced growth and lipid production","volume":"13","author":"Ryu","year":"2020","journal-title":"Biotechnol. Biofuels"},{"key":"10.1016\/j.chroma.2021.462222_bib0014","doi-asserted-by":"crossref","DOI":"10.1186\/1746-4811-4-7","article-title":"High quality metabolomic data for Chlamydomonas reinhardtii","volume":"4","author":"Lee","year":"2008","journal-title":"Plant Methods"},{"key":"10.1016\/j.chroma.2021.462222_bib0015","doi-asserted-by":"crossref","DOI":"10.1016\/j.lwt.2020.109454","article-title":"Discovery study of integrative metabolic profiles of sesame seeds cultivated in different countries","volume":"129","author":"Lee","year":"2020","journal-title":"Lwt-Food Sci. Technol."},{"key":"10.1016\/j.chroma.2021.462222_bib0016","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1016\/j.foodres.2019.02.021","article-title":"Highly geographical specificity of metabolomic traits among Korean domestic soybeans (Glycine max)","volume":"120","author":"Lee","year":"2019","journal-title":"Food Res. Int."},{"key":"10.1016\/j.chroma.2021.462222_bib0017","doi-asserted-by":"crossref","first-page":"10038","DOI":"10.1021\/ac9019522","article-title":"FiehnLib: mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography\/Mass Spectrometry","volume":"81","author":"Kind","year":"2009","journal-title":"Anal. Chem."},{"key":"10.1016\/j.chroma.2021.462222_bib0018","doi-asserted-by":"crossref","first-page":"691","DOI":"10.1111\/j.1365-313X.2007.03387.x","article-title":"Quality control for plant metabolomics: reporting MSI-compliant studies","volume":"53","author":"Fiehn","year":"2008","journal-title":"Plant J."},{"key":"10.1016\/j.chroma.2021.462222_bib0019","doi-asserted-by":"crossref","DOI":"10.1007\/s11306-019-1605-3","article-title":"Urinary metabolomics reveals kynurenine pathway perturbation in newborns with transposition of great arteries after surgical repair","volume":"15","author":"Simonato","year":"2019","journal-title":"Metabolomics"},{"key":"10.1016\/j.chroma.2021.462222_bib0020","volume":"10","author":"Wang","year":"2019","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.chroma.2021.462222_bib0021","series-title":"Biomedical Informatics for Cancer Research","first-page":"267","article-title":"MeV: MultiExperiment viewer","author":"Howe","year":"2010"},{"key":"10.1016\/j.chroma.2021.462222_bib0022","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1002\/cem.1006","article-title":"OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification","volume":"20","author":"Bylesj\u00f6","year":"2006","journal-title":"J. Chemomet."},{"key":"10.1016\/j.chroma.2021.462222_bib0023","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1039\/C4MB00414K","article-title":"PLS\/OPLS models in metabolomics: the impact of permutation of dataset rows on the K-fold cross-validation quality parameters","volume":"11","author":"Triba","year":"2015","journal-title":"Molecular BioSyst."},{"key":"10.1016\/j.chroma.2021.462222_bib0024","first-page":"501","article-title":"Permutation tests for classification","volume":"3559","author":"Golland","year":"2005","journal-title":"Comput. Sci. Theory Methods"},{"key":"10.1016\/j.chroma.2021.462222_bib0025","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1016\/j.toxlet.2011.10.004","article-title":"An improved thyroid hormone reporter assay to determine the thyroid hormone-like activity of amiodarone, bithionol, closantel and rafoxanide","volume":"208","author":"Matsubara","year":"2012","journal-title":"Toxicol. Lett."},{"key":"10.1016\/j.chroma.2021.462222_bib0026","doi-asserted-by":"crossref","first-page":"100","DOI":"10.1016\/j.jchromb.2017.08.035","article-title":"Bithionol residue analysis in animal-derived food products by an effective and rugged extraction method coupled with liquid chromatography-tandem mass spectrometry","volume":"1064","author":"Zheng","year":"2017","journal-title":"J. Chromatogr. B"},{"key":"10.1016\/j.chroma.2021.462222_bib0027","doi-asserted-by":"crossref","first-page":"3503","DOI":"10.1016\/0006-2952(84)90127-8","article-title":"The hydroxylation, dechlorination, and glucuronidation of 4,4\u2032-dichlorobiphenyl (4-DCB) by human hepatic microsomes","volume":"33","author":"Schnellmann","year":"1984","journal-title":"Biochem. Pharmacol."}],"container-title":["Journal of Chromatography A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021967321003460?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021967321003460?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,11,3]],"date-time":"2025-11-03T17:58:52Z","timestamp":1762192732000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0021967321003460"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,7]]},"references-count":27,"alternative-id":["S0021967321003460"],"URL":"https:\/\/doi.org\/10.1016\/j.chroma.2021.462222","relation":{},"ISSN":["0021-9673"],"issn-type":[{"value":"0021-9673","type":"print"}],"subject":[],"published":{"date-parts":[[2021,7]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"A systematic approach to metabolic characterization of thyroid-disrupting chemicals and their in vitro biotransformants based on prediction-assisted metabolomic analysis","name":"articletitle","label":"Article Title"},{"value":"Journal of Chromatography A","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.chroma.2021.462222","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2021 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"462222"}}