基于自动质谱解卷积与识别系统-气相色谱质谱技术筛查分析聚乳酸餐盒可迁移添加剂

Screening of migratable additives in polylactic acid lunch box based on automated mass spectral deconvolution and identification system coupled to gas chromatography-mass spectrometry technology

中文关键词:  聚乳酸  添加剂  迁移  自动质谱解卷积与识别系统  热裂解

英文关键词:polylactic acid  additives  migrate  automated mass spectral deconvolution and identification system  pyrolysis-gas chromatography mass spectrometry

中文摘要:

      目的 基于自动质谱解卷积与识别系统-气相色谱质谱技术筛查聚乳酸餐盒中可迁移添加剂。方法 采用傅里叶变换红外光谱法(Fourier transform infrared, FTIR)结合热裂解/气相色谱-质谱法(pyrolysis-gas chromatography mass spectrometry, Py-GC-MS)对餐盒材质鉴定, 并将餐盒置于不同模拟液和不同温度进行迁移实验, GC-MS进行检测, 基于自动质谱解卷积与识别系统(automated mass spectral deconvolution and identification system, AMDIS)及自研数据处理程序MSData批量处理数据, 分析可迁移添加剂, 并利用标准品和保留指数验证。结果 所售餐盒的材质为聚乳酸, AMDIS、谱库检索和结果验证能够显著提高可迁移添加剂鉴定的准确性, MSData可提升数据处理效率, 共筛查出18种可迁移添加剂, 其中4℃可以迁移出的添加剂只有6种, 随温度升高, 在25℃条件下新增4种, 70℃条件下新增8种。经毒性预测, 9种低毒, 8种微毒, 1种无毒; 其中11种呈现出微弱的发育毒性; 致畸性均为阴性。结论 该分析方法快速、方便, 可推广至其他聚乳酸餐盒中可迁移添加剂的快速筛查分析。

英文摘要:

      To screen migrable additives in polylactic acid meal boxes based on automatic mass spectrometry deconvolution and identification system-gas chromatography-mass spectrometry. Methods The material of lunch box was investigated by Fourier transform infrared (FTIR) and pyrolysis-gas chromatography mass spectrometry (Py-GC-MS). The migration experiments were developed in different simulated liquids and different temperatures condition. The migrated additives were screened by GC-MS and the data was analyzed based on the automatic mass spectrometry deconvolution and identification system (AMDIS) and the self-developed data processing program MSData. Finally, the result was validated by standards and retention index. Results The main material of the lunch box was polylactic acid, and the qualitative ability of migrated additives was improved by using AMDIS, National Institute of Standards and Technology, standards and retention index. The MSData software can improve data processing efficiency. Eighteen kinds of additives were identified. Among them, only 6 kinds of compounds can migrate out at 4℃. As the temperature increases, four migrated additives were added at 25℃, and 8 kinds of migrated additives were added at 70℃. According to result of toxicity prediction, 9 kinds of compounds showed low toxicity, 8 kinds of showed slightly toxic, and only one of them showed non-toxic. Ten of them presented developmental toxicity. The teratogenicity of all of them was negative. Conclusion The method is fast and convenient, and can be extended to the rapid screening and analysis of migratable additives in other polylactic acid lunch box.