{"title":"“气相色谱-捕获离子迁移率质谱法:用于定量食品中二恶英和多氯联苯亚ppt水平的高度特异和超灵敏的平台”[化学环境385,2025,144557]。","authors":"Hugo B. Muller, Georges Scholl, Gauthier Eppe","doi":"10.1016/j.chemosphere.2025.144599","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, we evaluated the quantitative capabilities of a GC-APCI trapped ion mobility (TIMS) TOF platform for the determination of ultra-trace levels of polychlorinated dibenzo-p-dioxins (PCDD/Fs) and polychlorinated biphenyls (PCBs) in complex food matrices. Using a Bruker timsTOF Pro 2 instrument, three fat-based proficiency test samples - fish oil, palm oil, and milk fat - were analyzed and compared to a validated GC-sectorHRMS method, in accordance with the criteria set by Commission Regulation (EU) 2017/644. Linearity was confirmed across broad dynamic ranges, with relative response factor (RRF) precision consistently below 20 %. Instrumental limits of quantification (iLOQs) reached the 100–500 fg/μL range for dioxins and low pg/μL for PCBs, while method LOQs (mLOQs) were typically in the high fg/g to low pg/g range. Intermediate precision (RSD<sub>R</sub>) remained below regulatory thresholds in 97 % of cases. Furthermore, 80 % of PCDD/Fs and over 87 % of PCB measurements met trueness requirements, with summed WHO<sub>2005</sub>-TEQ and NDL-PCB concentrations in close agreement with sectorHRMS values. Importantly, the addition of the ion mobility dimension provided distinct benefits. It enabled the separation of coeluting isomers (e.g., 2,3,7,8-TCDD), resolved isobaric interferences (e.g., PeCDD and HxCB 169), and allowed for high-confidence analyte identification using collision cross section (CCS) values. CCS differences between native and <sup>13</sup>C-labeled standards were consistently below 0.5 %, supporting its use as an additional identification criterion. Overall, while the method showed slightly reduced performance for ultra-trace dioxins, it demonstrated accurate quantification and enhanced selectivity, highlighting the strong potential of TIMS-TOF technology for contaminant analysis in food safety applications.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"386 ","pages":"Article 144599"},"PeriodicalIF":8.1000,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Corrigendum to “Gas chromatography–trapped ion mobility mass spectrometry: A highly specific and ultra-sensitive platform for quantifying sub-ppt levels of dioxins and PCBs in food” [Chemosphere 385, 2025, 144557]\",\"authors\":\"Hugo B. Muller, Georges Scholl, Gauthier Eppe\",\"doi\":\"10.1016/j.chemosphere.2025.144599\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In this study, we evaluated the quantitative capabilities of a GC-APCI trapped ion mobility (TIMS) TOF platform for the determination of ultra-trace levels of polychlorinated dibenzo-p-dioxins (PCDD/Fs) and polychlorinated biphenyls (PCBs) in complex food matrices. Using a Bruker timsTOF Pro 2 instrument, three fat-based proficiency test samples - fish oil, palm oil, and milk fat - were analyzed and compared to a validated GC-sectorHRMS method, in accordance with the criteria set by Commission Regulation (EU) 2017/644. Linearity was confirmed across broad dynamic ranges, with relative response factor (RRF) precision consistently below 20 %. Instrumental limits of quantification (iLOQs) reached the 100–500 fg/μL range for dioxins and low pg/μL for PCBs, while method LOQs (mLOQs) were typically in the high fg/g to low pg/g range. Intermediate precision (RSD<sub>R</sub>) remained below regulatory thresholds in 97 % of cases. Furthermore, 80 % of PCDD/Fs and over 87 % of PCB measurements met trueness requirements, with summed WHO<sub>2005</sub>-TEQ and NDL-PCB concentrations in close agreement with sectorHRMS values. Importantly, the addition of the ion mobility dimension provided distinct benefits. It enabled the separation of coeluting isomers (e.g., 2,3,7,8-TCDD), resolved isobaric interferences (e.g., PeCDD and HxCB 169), and allowed for high-confidence analyte identification using collision cross section (CCS) values. CCS differences between native and <sup>13</sup>C-labeled standards were consistently below 0.5 %, supporting its use as an additional identification criterion. Overall, while the method showed slightly reduced performance for ultra-trace dioxins, it demonstrated accurate quantification and enhanced selectivity, highlighting the strong potential of TIMS-TOF technology for contaminant analysis in food safety applications.</div></div>\",\"PeriodicalId\":276,\"journal\":{\"name\":\"Chemosphere\",\"volume\":\"386 \",\"pages\":\"Article 144599\"},\"PeriodicalIF\":8.1000,\"publicationDate\":\"2025-08-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemosphere\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0045653525005430\",\"RegionNum\":2,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENVIRONMENTAL SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemosphere","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0045653525005430","RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENVIRONMENTAL SCIENCES","Score":null,"Total":0}
Corrigendum to “Gas chromatography–trapped ion mobility mass spectrometry: A highly specific and ultra-sensitive platform for quantifying sub-ppt levels of dioxins and PCBs in food” [Chemosphere 385, 2025, 144557]
In this study, we evaluated the quantitative capabilities of a GC-APCI trapped ion mobility (TIMS) TOF platform for the determination of ultra-trace levels of polychlorinated dibenzo-p-dioxins (PCDD/Fs) and polychlorinated biphenyls (PCBs) in complex food matrices. Using a Bruker timsTOF Pro 2 instrument, three fat-based proficiency test samples - fish oil, palm oil, and milk fat - were analyzed and compared to a validated GC-sectorHRMS method, in accordance with the criteria set by Commission Regulation (EU) 2017/644. Linearity was confirmed across broad dynamic ranges, with relative response factor (RRF) precision consistently below 20 %. Instrumental limits of quantification (iLOQs) reached the 100–500 fg/μL range for dioxins and low pg/μL for PCBs, while method LOQs (mLOQs) were typically in the high fg/g to low pg/g range. Intermediate precision (RSDR) remained below regulatory thresholds in 97 % of cases. Furthermore, 80 % of PCDD/Fs and over 87 % of PCB measurements met trueness requirements, with summed WHO2005-TEQ and NDL-PCB concentrations in close agreement with sectorHRMS values. Importantly, the addition of the ion mobility dimension provided distinct benefits. It enabled the separation of coeluting isomers (e.g., 2,3,7,8-TCDD), resolved isobaric interferences (e.g., PeCDD and HxCB 169), and allowed for high-confidence analyte identification using collision cross section (CCS) values. CCS differences between native and 13C-labeled standards were consistently below 0.5 %, supporting its use as an additional identification criterion. Overall, while the method showed slightly reduced performance for ultra-trace dioxins, it demonstrated accurate quantification and enhanced selectivity, highlighting the strong potential of TIMS-TOF technology for contaminant analysis in food safety applications.
期刊介绍:
Chemosphere, being an international multidisciplinary journal, is dedicated to publishing original communications and review articles on chemicals in the environment. The scope covers a wide range of topics, including the identification, quantification, behavior, fate, toxicology, treatment, and remediation of chemicals in the bio-, hydro-, litho-, and atmosphere, ensuring the broad dissemination of research in this field.