期刊
ANALYTICA CHIMICA ACTA
卷 545, 期 2, 页码 262-278出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.aca.2005.04.080
关键词
Raman imaging; PCA cluster analysis; DCLS; multivariate curve resolutions; pharmaceutical tablet
Spectroscopic imaging techniques provide spatial and spectral information about a sample simultaneously and are finding ever-increasing application in the pharmaceutical industry. Effective extraction of chemical information from imaging data sets is a crucial step during the application of imaging techniques. Multivariate imaging data analysis methods have been reported but few applications of these methods for pharmaceutical samples have been demonstrated. In this study, a bilayer model tablet consisting of avicel, lactose. sodium benzoate, magnesium stearate and red dye was prepared using custom press tooling, and Raman mapping data were collected from a 400 mu m x 400 mu m area of the tablet surface. Several representative multivariate methods were selected and used in the analysis of the data, Multivariate data analysis methods investigated include principal component analysis (PCA). cluster analysis, direct classical least squares (DCLS) and multivariate curve resolution (MCR). The relative merits and drawbacks of each technique for this application were evaluated. In addition, some practical issues associated with the use of these methods were addressed including data preprocessing. determination of the optimal number of clusters in cluster analysis and the optimization of window size in second derivative calculation. (c) 2005 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据