基于表面增强拉曼光谱的塑料增塑剂邻苯二甲酸酯定性筛查技术研究
详细信息Rapid analysis of plastic stabilizer phthalates by surface enhancement Raman spectroscopy
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摘要: 为建立食品中邻苯二甲酸酯（PAEs）类物质的快速筛查技术,本文首先以最受关注的6种PAEs（包括DEHP、DBP、BBP、DINP、DIDP和DNOP）为研究对象,研究了PAEs的拉曼光谱图,得到8个特征峰,并以DEHP为例,采用密度泛函理论（DFT）B3LYP方法,在6-311G（d）基组水平上进行了构型优化和频率分析,对8个特征峰的分子振动模式进行了详细的归属指认。同时,研究了0.1mg/kgDEHP二氯甲烷溶液和三种PAEs物质混合液的表面增强拉曼光谱（SERS）,并将SERS应用于牛奶实际样品中痕量PAEs的快速筛查,经气相-质谱联用（GC-MS）方法验证结果。结果显示,SERS技术能快速筛查出牛奶样品中痕量PAEs物质,GC-MS验证表明具有很好的准确性,SERS在PAEs的快速定性筛查中具有很好的应用潜力。
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关键词:
- 邻苯二甲酸酯; /
- 邻苯二甲酸-2-乙基己基酯 (DEHP) ; /
- 表面增强拉曼光谱 (SERS) ; /
- 密度泛函理论 (DFT) ; /
- 定性分析;
Abstract: Based on surface-enhanced Raman scattering (SERS) , a rapid qualitative analysis method of plastic stabilizer phthalates (PAEs) was established.By analyzing Raman spectra of DEHP, DBP, BBP, DINP, DIDP and DNOP, 8 characteristic peaks were figured out, which was further confirmed by theoretical calculation of di-2-ethyl hexyl phthalate (DEHP) by density functional theory (DFT) -the B3LYP method and the 6-311G (d) basis sets.Surface-enhanced Raman scattering (SERS) spectroscopy was realized by Au-nanosubstrate.In addition, qualitative analysis of trace PAEs in milk was performed, and the result was validated by gas chromatography-mass spectrometry (GC-MS) .The results demonstrated that SERS technology could be developed as a rapid method for screening of trace PAEs in food samples. -
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