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利用拉曼光谱和 LIBS 对颜料和油墨进行多元分类。

Multivariate classification of pigments and inks using combined Raman spectroscopy and LIBS.

机构信息

BAM Federal Institute for Materials Research and Testing, Richard-Willstaetter-Str. 11, 12489 Berlin, Germany.

出版信息

Anal Bioanal Chem. 2012 Feb;402(4):1443-50. doi: 10.1007/s00216-011-5287-6. Epub 2011 Aug 16.

DOI:10.1007/s00216-011-5287-6
PMID:21845528
Abstract

The authenticity of objects and artifacts is often the focus of forensic analytic chemistry. In document fraud cases, the most important objective is to determine the origin of a particular ink. Here, we introduce a new approach which utilizes the combination of two analytical methods, namely Raman spectroscopy and laser-induced breakdown spectroscopy (LIBS). The methods provide complementary information on both molecular and elemental composition of samples. The potential of this hyphenation of spectroscopic methods is demonstrated for ten blue and black ink samples on white paper. LIBS and Raman spectra from different inks were fused into a single data matrix, and the number of different groups of inks was determined through multivariate analysis, i.e., principal component analysis, soft independent modelling of class analogy, partial least-squares discriminant analysis, and support vector machine. In all cases, the results obtained with the combined LIBS and Raman spectra were found to be superior to those obtained with the individual Raman or LIBS data sets.

摘要

物证和文物的真实性往往是法医分析化学的重点。在文件伪造案件中,最重要的目标是确定特定油墨的来源。在这里,我们介绍了一种新方法,该方法结合了两种分析方法,即拉曼光谱和激光诱导击穿光谱(LIBS)。这些方法为样品的分子和元素组成提供了互补信息。该光谱方法的结合在十份蓝色和黑色墨水样本在白纸上的应用中得到了验证。LIBS 和 Raman 光谱来自不同的墨水被融合到一个单一的数据矩阵中,并且通过多元分析(即主成分分析、类模拟的软独立建模、偏最小二乘判别分析和支持向量机)确定了不同组墨水的数量。在所有情况下,与单独的 Raman 或 LIBS 数据集相比,组合的 LIBS 和 Raman 光谱得到的结果都更好。

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