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用于生物样品分析的基质辅助激光解吸电离质谱成像与拉曼光谱数据融合

Fusion of MALDI Spectrometric Imaging and Raman Spectroscopic Data for the Analysis of Biological Samples.

作者信息

Ryabchykov Oleg, Popp Juergen, Bocklitz Thomas

机构信息

Spectroscopy and Imaging Research Department, Leibniz Institute of Photonic Technology, Member of Leibniz Health Technology, Jena, Germany.

Institute of Physical Chemistry and Abbe Center of Photonics, Friedrich Schiller University Jena, Jena, Germany.

出版信息

Front Chem. 2018 Jul 16;6:257. doi: 10.3389/fchem.2018.00257. eCollection 2018.

Abstract

Despite of a large number of imaging techniques for the characterization of biological samples, no universal one has been reported yet. In this work, a data fusion approach was investigated for combining Raman spectroscopic data with matrix-assisted laser desorption/ionization (MALDI) mass spectrometric data. It betters the image analysis of biological samples because Raman and MALDI information can be complementary to each other. While MALDI spectrometry yields detailed information regarding the lipid content, Raman spectroscopy provides valuable information about the overall chemical composition of the sample. The combination of Raman spectroscopic and MALDI spectrometric imaging data helps distinguishing different regions within the sample with a higher precision than would be possible by using either technique. We demonstrate that a data weighting step within the data fusion is necessary to reveal additional spectral features. The selected weighting approach was evaluated by examining the proportions of variance within the data explained by the first principal components of a principal component analysis (PCA) and visualizing the PCA results for each data type and combined data. In summary, the presented data fusion approach provides a concrete guideline on how to combine Raman spectroscopic and MALDI spectrometric imaging data for biological analysis.

摘要

尽管有大量用于生物样品表征的成像技术,但尚未有通用的技术被报道。在这项工作中,研究了一种数据融合方法,用于将拉曼光谱数据与基质辅助激光解吸/电离(MALDI)质谱数据相结合。这改善了生物样品的图像分析,因为拉曼和MALDI信息可以相互补充。虽然MALDI光谱法能提供有关脂质含量的详细信息,但拉曼光谱能提供有关样品整体化学成分的有价值信息。拉曼光谱成像数据和MALDI光谱成像数据的结合有助于以比单独使用任何一种技术更高的精度区分样品内的不同区域。我们证明,数据融合中的数据加权步骤对于揭示额外的光谱特征是必要的。通过检查主成分分析(PCA)的第一主成分所解释的数据方差比例,并可视化每种数据类型和组合数据的PCA结果,对所选的加权方法进行了评估。总之,所提出的数据融合方法为如何将拉曼光谱成像数据和MALDI光谱成像数据结合用于生物分析提供了具体指导。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8433/6055053/e98972b61bc7/fchem-06-00257-g0001.jpg

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