Quantification of PET cyclic and linear oligomers in teabags by a validated LC-MS method – In silico toxicity assessment and consumer’s exposure

• Published in: Food chemistry Vol. 317; p. 126427
• Main Authors: Tsochatzis, Emmanouil D., Alberto Lopes, Joao, Kappenstein, Oliver, Tietz, Thomas, Hoekstra, Eddo J.
• Format: Journal Article
• Language: English
• Published: England Elsevier Ltd 01.07.2020
• Subjects: Chromatography, High Pressure Liquid - methods; Computer Simulation; Dimerization; Exposure assessment; Food Contamination - analysis; Food Packaging; Genotoxicity assessment; High-resolution mass spectrometry; Mass Spectrometry - methods; Migration testing; Mutagenicity Tests; PET cyclic oligomers; Polyethylene Terephthalates - analysis; Polyethylene Terephthalates - chemistry; Polyethylene Terephthalates - toxicity; Reproducibility of Results; Tea; Teabags; Genotoxicity assessment; Teabags; High-resolution mass spectrometry; Migration testing; PET cyclic oligomers; Exposure assessment
• ISSN: 0308-8146; 1873-7072
• DOI: 10.1016/j.foodchem.2020.126427

•PET cyclic oligomers in food contact materials (teabags).•Application of UHPLC-qTOF-MS for identification of potential migration levels.•Method validation for 1st Series PET cyclic oligomers with analytical standards of known purity.•In silico toxicity assessment.•Exposure assessment based on EFSA scientific opinions. Determination of polyethylene terephthalate (PET) dimer up to heptamer 1st series cyclic oligomers, applying an LC-qTOF-MS method, has been developed and validated. Recoveries ranged between 80 and 112% with RSDs lower than 15%. An innovative semi-quantitative approach has been applied for 2nd and 3rd series cyclic oligomers, using the closest structural-similar 1st series cyclic oligomer standard as analytical reference. Oligomers from the three series were quantified in PET teabags after migration experiments with water and food simulants C (20% v/v ethanol in water) and D1 (50% v/v ethanol in water). No legal migration limits exist currently for these substances. In silico genotoxicity assessment of all identified oligomers has been performed and showed no genotoxicity alert for linear or cyclic molecules. Exposure assessment was performed using EFSA’s approach on the total sum of migrating oligomers and on toxicological threshold-of-concern. Amounts found in water were in some cases significantly higher than the respective limits, especially in the worst-case scenario of multiple consumption.