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Tiafenacil (TFA), a promising novel pyrimidinedione herbicide, was the focus of this study. We developed an efficient QuEChERS-UHPLC-QTOF-MS\/MS method to measure TFA and its transformation products (TP1, TP2, TP3, TP4, and TP5) in soil. Our calibration curves exhibited strong linearity (R2 \u2265 0.9949) ranging from 0.015 to 2.0 mg\/kg within a low limit of quantification (LOQ) of 2.0 \u00b5g\/kg. Inter-day and intra-day recoveries (0.10 to 2.0 mg\/kg, 80.59% to 110.05%, RSD from 0.28% to 12.93%) demonstrated high sensitivity and accuracy. Additionally, TFA dissipation under aerobic conditions followed first-order kinetics, mainly yielding TP1 and TP4. In contrast, TP1 and TP2 were mainly found under sterilized and anaerobic conditions, and TFA dissipation followed second-order kinetics. Moreover, we predicted the transformation pathways of TFA using density functional theory (DFT) and assessed the toxicity levels of TFA and its TPs to aquatic organisms using ECOSAR. Collectively, these findings hold significant implications for a better understanding of TFA fate in diversified soil, benefiting its risk assessment and rational utilization.<\/jats:p>","DOI":"10.3390\/ijms25158367","type":"journal-article","created":{"date-parts":[[2024,8,1]],"date-time":"2024-08-01T12:38:20Z","timestamp":1722515900000},"page":"8367","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Concurrent Analysis of Tiafenacil and Its Transformation Products in Soil by Using Newly Developed UHPLC-QTOF-MS\/MS-Based Approaches"],"prefix":"10.3390","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-2307-9582","authenticated-orcid":false,"given":"Wenwen","family":"Zhou","sequence":"first","affiliation":[{"name":"College of Food Science and Engineering, Jiangxi Agricultural University, Nanchang 330045, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anqi","family":"Yan","sequence":"additional","affiliation":[{"name":"School of Agriculture, Food and Ecosystem Sciences, University of Melbourne, Parkville, VIC 3052, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shujie","family":"Zhang","sequence":"additional","affiliation":[{"name":"College of Food Science and Engineering, Jiangxi Agricultural University, Nanchang 330045, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2527-8714","authenticated-orcid":false,"given":"Dayong","family":"Peng","sequence":"additional","affiliation":[{"name":"College of Chemistry and Materials, Jiangxi Agricultural University, Nanchang 330045, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3632-0041","authenticated-orcid":false,"given":"Jun","family":"Li","sequence":"additional","affiliation":[{"name":"College of Food Science and Engineering, Jiangxi Agricultural University, Nanchang 330045, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2024,7,31]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"124657","DOI":"10.1016\/j.jclepro.2020.124657","article-title":"An extensive review on the consequences of chemical pesticides on human health and environment","volume":"283","author":"Rani","year":"2021","journal-title":"J. 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