Occurrence of volatile contaminants in recycled poly(ethylene terephthalate) by HS-SPME-GC×GC-QTOF-MS combined with chemometrics for authenticity assessment of geographical recycling regions

J Hazard Mater. 2023 Mar 5:445:130407. doi: 10.1016/j.jhazmat.2022.130407. Epub 2022 Nov 15.

Abstract

A comparison was performed on various methods detecting the volatile contaminants (VCs) in recycled poly(ethylene terephthalate) (rPET) flakes, the results demonstrated that head-space solid phase micro-extraction combined with comprehensive two-dimensional gas chromatograph-tandem quadrupole-time-of-flight mass spectrometry (HS-SPME-GC×GC-QTOF-MS) was a sensitive, effective, accurate method, and successfully applied to analyze 57 rPET flakes collected from different recycling plants in China. A total of 212 VCs were tentatively identified, and the possible source were associated with plastic, food, and cosmetics. 45 VCs are classified as high-priority compounds with toxicity level IV or V and may pose a risk to human health. Combined chemometrics for further analysis revealed that significant differences among these three geographical recycling regions. 6, 7, and 6 volatile markers were chosen based on VIP values and S-plot among plant1 plant 2 and plant 3, respectively. The markers differed significantly between recycled rPET samples in three geographical recycling regions based on chemometrics analysis. The initial classification rate and cross-validation accuracy were 100% on the identified VCs. These significant differences demonstrate that a systematic study is needed to obtain a comprehensive data on the contamination of rPET for food contact applications in China.

Keywords: Chemometrics; Food contact materials; HS-SPME-GC×GC-QTOF-MS; Recycled polyethylene terephthalate; Volatile contaminants.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chemometrics
  • Ethylenes
  • Gas Chromatography-Mass Spectrometry / methods
  • Humans
  • Polyethylene Terephthalates* / chemistry
  • Solid Phase Microextraction / methods
  • Volatile Organic Compounds* / analysis

Substances

  • Polyethylene Terephthalates
  • terephthalic acid
  • Ethylenes
  • Volatile Organic Compounds