{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T02:43:02Z","timestamp":1767926582655,"version":"3.49.0"},"reference-count":55,"publisher":"MDPI AG","issue":"10","license":[{"start":{"date-parts":[[2019,10,15]],"date-time":"2019-10-15T00:00:00Z","timestamp":1571097600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000923","name":"Australian Research Council","doi-asserted-by":"publisher","award":["LP140100565"],"award-info":[{"award-number":["LP140100565"]}],"id":[{"id":"10.13039\/501100000923","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Metabolites"],"abstract":"<jats:p>Environmental pollutants such as heavy metals and fungicides pose a serious threat to waterways worldwide. Toxicological assessment of such contaminants is usually conducted using single compound exposures, as it is challenging to understand the effect of mixtures on biota using standard ecotoxicological methods; whereas complex chemical mixtures are more probable in ecosystems. This study exposed Simplisetia aequisetis (an estuarine annelid) to sublethal concentrations of a metal (zinc) and a fungicide (boscalid), both singly and as a mixture, for two weeks. Metabolomic analysis via gas and liquid chromatography-mass spectrometry was used to measure the stress response(s) of the organism following exposure. A total of 75 metabolites, including compounds contributing to the tricarboxylic acid cycle, the urea cycle, and a number of other pathways, were identified and quantified. The multiplatform approach identified distinct metabolomic responses to each compound that differed depending on whether the substance was presented singly or as a mixture, indicating a possible antagonistic effect. The study demonstrates that metabolomics is able to elucidate the effects and mode of action of contaminants and can identify possible outcomes faster than standard ecotoxicological endpoints, such as growth and reproduction. Metabolomics therefore has a possible future role in biomonitoring and ecosystem health assessments.<\/jats:p>","DOI":"10.3390\/metabo9100229","type":"journal-article","created":{"date-parts":[[2019,10,16]],"date-time":"2019-10-16T03:32:54Z","timestamp":1571196774000},"page":"229","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":16,"title":["Metabolite Changes in an Estuarine Annelid Following Sublethal Exposure to a Mixture of Zinc and Boscalid"],"prefix":"10.3390","volume":"9","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1119-5897","authenticated-orcid":false,"given":"Georgia M.","family":"Sinclair","sequence":"first","affiliation":[{"name":"School of Biosciences, The University of Melbourne, Royal Parade, Parkville Victoria 3010, Australia"},{"name":"Centre for Aquatic Pollution Identification and Management (CAPIM), School of Biosciences, The University of Melbourne, Royal Parade, Parkville Victoria 3010, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Allyson L.","family":"O\u2019Brien","sequence":"additional","affiliation":[{"name":"School of Biosciences, The University of Melbourne, Royal Parade, Parkville Victoria 3010, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michael","family":"Keough","sequence":"additional","affiliation":[{"name":"School of Biosciences, The University of Melbourne, Royal Parade, Parkville Victoria 3010, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7225-2632","authenticated-orcid":false,"given":"David P.","family":"de Souza","sequence":"additional","affiliation":[{"name":"Metabolomics Australia, Bio21 Molecular Science and Biotechnology Institute, 30 Flemington Road, Parkville, Victoria 3052, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saravanan","family":"Dayalan","sequence":"additional","affiliation":[{"name":"Metabolomics Australia, Bio21 Molecular Science and Biotechnology Institute, 30 Flemington Road, Parkville, Victoria 3052, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Komal","family":"Kanojia","sequence":"additional","affiliation":[{"name":"Metabolomics Australia, Bio21 Molecular Science and Biotechnology Institute, 30 Flemington Road, Parkville, Victoria 3052, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Konstantinos","family":"Kouremenos","sequence":"additional","affiliation":[{"name":"Metabolomics Australia, Bio21 Molecular Science and Biotechnology Institute, 30 Flemington Road, Parkville, Victoria 3052, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dedreia L.","family":"Tull","sequence":"additional","affiliation":[{"name":"Metabolomics Australia, Bio21 Molecular Science and Biotechnology Institute, 30 Flemington Road, Parkville, Victoria 3052, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5072-3504","authenticated-orcid":false,"given":"Rhys A.","family":"Coleman","sequence":"additional","affiliation":[{"name":"Melbourne Water Corporation, 990 La Trobe Street, Docklands, Victoria 3008, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4541-662X","authenticated-orcid":false,"given":"Oliver A.H.","family":"Jones","sequence":"additional","affiliation":[{"name":"Australian Centre for Research on Separation Science (ACROSS), School of Science, RMIT, University, GPO Box 2476, Melbourne, Victoria 3001, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5323-8846","authenticated-orcid":false,"given":"Sara M.","family":"Long","sequence":"additional","affiliation":[{"name":"School of Biosciences, The University of Melbourne, Royal Parade, Parkville Victoria 3010, Australia"},{"name":"Centre for Aquatic Pollution Identification and Management (CAPIM), School of Biosciences, The University of Melbourne, Royal Parade, Parkville Victoria 3010, Australia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2019,10,15]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"3725","DOI":"10.1016\/j.scitotenv.2010.02.038","article-title":"Systems Toxicology Approaches for Understanding the Joint Effects of Environmental Chemical Mixtures","volume":"408","author":"Spurgeon","year":"2010","journal-title":"Sci. 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