用于制药应用的振动化学成像的数据处理。
Data processing of vibrational chemical imaging for pharmaceutical applications.
作者信息
Sacré P-Y, De Bleye C, Chavez P-F, Netchacovitch L, Hubert Ph, Ziemons E
机构信息
University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium.
University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium.
出版信息
J Pharm Biomed Anal. 2014 Dec;101:123-40. doi: 10.1016/j.jpba.2014.04.012. Epub 2014 Apr 19.
Vibrational spectroscopy (MIR, NIR and Raman) based hyperspectral imaging is one of the most powerful tools to analyze pharmaceutical preparation. Indeed, it combines the advantages of vibrational spectroscopy to imaging techniques and allows therefore the visualization of distribution of compounds or crystallization processes. However, these techniques provide a huge amount of data that must be processed to extract the relevant information. This review presents fundamental concepts of hyperspectral imaging, the basic theory of the most used chemometric tools used to pre-process, process and post-process the generated data. The last part of the present paper focuses on pharmaceutical applications of hyperspectral imaging and highlights the data processing approaches to enable the reader making the best choice among the different tools available.
基于振动光谱（中红外、近红外和拉曼）的高光谱成像技术是分析药物制剂最强大的工具之一。事实上，它将振动光谱的优势与成像技术相结合，从而能够可视化化合物的分布或结晶过程。然而，这些技术会产生大量数据，必须对其进行处理才能提取相关信息。本综述介绍了高光谱成像的基本概念、用于预处理、处理和后处理所生成数据的最常用化学计量工具的基本理论。本文的最后一部分重点介绍了高光谱成像在制药领域的应用，并突出了数据处理方法，以使读者能够在现有不同工具中做出最佳选择。
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