差分喇曼光谱结合化学计量学检验烟用内衬纸

Differential Raman spectroscopy combined with stoichiometry for inspection of cigarette liner

为了建立一种检验现场残留烟用内衬纸的科学方法,采用最新的差分喇曼光谱技术对44个不同品牌、不同系列的样品进行了检验,依据样品中主要填料的不同对样品进行了分类。结合化学计量学,将经主成分分析降维后的数据用来聚类分析,用显著性P值和Pearson相关系数评价聚类结果的好坏,得出的最优聚类结果用来建立判别式。结果表明,经解析比对谱图后可将样品分为4类;建立的判别式实现了对44个样品100%的准确分类,并对未知样本的判别提供了依据。该方法结合谱图分析和化学计量学,能快速、无损、准确地对样品做出客观检验,具有一定的普适性,为公安实际办案提供了理论依据。

In order to establish a scientific method for inspecting residual cigarette liners on site,the latest differential spectroscopy technology was used to inspect 44 different brands and different series of samples,and the samples were classified according to the different main fillers in the samples.Combined with chemometrics,the data reduced by principal component analysis was used for cluster analysis,and the significant P value and Pearson correlation coefficient were used to evaluate the quality of the clustering results.The optimal clustering results were used to establish discrimination formula.The results show that the samples can be divided into 4 categories after analyzing and comparing the spectra.The established discriminant realized 100%accurate classification of 44 samples,and provided a basis for the discrimination of unknown samples.In summary,the method combined with spectral analysis and chemometrics can quickly,non-destructively and accurately make objective inspections of samples.It has certain universality and provides a theoretical basis for the actual handling of cases by police.