Key Laboratory of Product Packaging and Logistics, Packaging Engineering Institute, College of Packaging Engineering, Jinan University, Zhuhai, China.
National Reference Laboratory for Food Contact Material (Guangdong), Guangzhou Customs District Technology Center, Guangzhou, Guangdong, China.
Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2023 Aug;40(8):1114-1130. doi: 10.1080/19440049.2023.2227732. Epub 2023 Jul 6.
Plastic packaging waste, such as polyethylene terephthalate (PET) has increased significantly in recent decades, arousing a considerable and serious public concern regarding the environment, economy, and policy. Plastic recycling is a useful tool to mitigate this issue. Here, a feasible study was performed to investigate the potential of a novel method for identifying virgin and recycled PET. Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) was combined with various chemometrics, as a simple and reliable method that achieved a high discrimination rate for 105 batches of virgin PET (v-PET) and recycled PET (r-PET) based on 202 non-volatile organic compounds (NVOCs). Making use of orthogonal partial least-squares discrimination analysis (OPLS-DA) together with non-parametric tests, 26 marker compounds (i.e. 12 intentionally added substances (IAS) and 14 non-intentionally added substances (NIAS) as well as 31 marker compounds (i.e. 11 IAS and 20 NIAS) obtained from positive and combination of positive and negative ionization modes of UPLC-Q-TOF-MS, respectively, were successfully identified. Moreover, 100% accuracy was obtained using a decision tree (DT). Cross-discrimination based on misclassified samples using various chemometrics allowed the prediction accuracy to be improved and to identify a large sample set, thus greatly enhancing the application scope of this method. The possible origins of these detected compounds can be the plastic itself, as well as contamination from food, medicine, pesticides, industry-related substances, and degradation and polymerization products. As many of these compounds are toxic, especially those pesticide related, this indicates an urgent requirement for closed loop recycling. Overall, this analytical method provides a quick, accurate, and robust way to distinguish virgin from recycled PET and thus addresses the issue of potential virgin PET adulteration thereby detecting fraud in the area of PET recycling.
塑料包装废弃物（如聚对苯二甲酸乙二醇酯（PET））在近几十年来显著增加，引起了人们对环境、经济和政策的极大关注。塑料回收是缓解这一问题的有用工具。在这里，我们进行了一项可行的研究，以探索一种新方法来识别原始和回收的 PET 的潜力。超高效液相色谱-四极杆飞行时间质谱联用（UPLC-Q-TOF-MS）结合了多种化学计量学方法，作为一种简单可靠的方法，基于 202 种非挥发性有机化合物（NVOCs），对 105 批原始 PET（v-PET）和回收 PET（r-PET）实现了高鉴别率。利用正交偏最小二乘判别分析（OPLS-DA）和非参数检验，成功鉴定了 26 种标记化合物（即 12 种有意添加物质（IAS）和 14 种非有意添加物质（NIAS）以及正、负离子模式 UPLC-Q-TOF-MS 组合获得的 31 种标记化合物（即 11 种 IAS 和 20 种 NIAS）。此外，决策树（DT）的准确率达到 100%。使用各种化学计量学方法对误分类样本进行交叉判别，可以提高预测准确率，识别大样本集，从而大大扩展了该方法的应用范围。这些检测到的化合物的可能来源可能是塑料本身，以及食品、药品、农药、工业相关物质、降解和聚合产物的污染。由于其中许多化合物是有毒的，特别是那些与农药有关的化合物，这表明迫切需要进行闭环回收。总的来说，这种分析方法为区分原始和回收的 PET 提供了一种快速、准确和稳健的方法，从而解决了潜在原始 PET 掺假的问题，从而检测到 PET 回收领域的欺诈行为。
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