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| Study on the Ability of HS－SPME/GC×GC－Q－TOF MS Combined with Chemometrics to Discriminate Recycled Polyethylene Terephthalate |
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| DOI： |
| KeyWord:HS－SPME GC × GC Q－TOF MS chemometrics polyethylene terephthalate recycled plastics volatile organic compound |
| Author | Institution |
| HAO Tian-ying，LIN Qin-bao，ZHONG Huai-ning，DONG Ben，KOU Xiao-xue，CHEN Zhi-feng，YE Zhi-kang，WANG Zhi-wei |
1. Key Laboratory of Product Packaging and Logistics，Packaging Engineering Institute，Jinan University， Zhuhai ，China; 2. National Reference Laboratory for Food Contact Material（Guangdong）， Guangzhou Customs District Technology Center，Guangzhou ，China |
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| Abstract: |
| A method was established for the discrimination of recycled and virgin polyethylene terephthalate（PET） by head-space solid phase microextraction/comprehensive two-dimensional gas chromatography－quadrupole time-of-flight mass spectrometry（HS－SPME/GC × GC－Q－TOF MS） combined with chemometrics．Firstly，volatile organic compounds（VOCs） of recycled and virgin PET were detected to obtain their peak area data for building discrimination datasets. Then the markers and high-level markers were selected on the basis of orthogonal partial least squares discrimination analysis（OPLS－DA） and T-test．The principal component analysis（PCA） and linear discrimination analysis（LDA） models based on all compounds，markers and high-level markers were established．The results showed that PCA model could well explain the differences between recycled and virgin groups，while the accuracies for calibration and validation sets reached 100% and 97.1% respectively in LDA model．This study indicated that the approach above was accessible，high stable and predictable．Besides，a total of 468 VOCs were detected and identified，of which 31 VOCs were classified as high-level markers．The possible origins of these high-level markers could be food，medicine，cosmetics，pesticides，plastic，industry and unknown sources. |
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