classification and quantitative analysis of azithromycin tablets by raman spectroscopy and chemometrics阿奇霉素片的分类和定量分析拉曼光谱和化学计量学.pdfVIP

American Journal of Analytical Chemistry , 2011, 2, 135-141 doi:10.4236/ajac.2011.22015 Published Online May 2011 (http://www.SciRP.org/journal/ajac) Classification and Quantitative Analysis of Azithromycin Tablets by Raman Spectroscopy and Chemometrics Yan Li, Guorong Du, Wensheng Cai, Xueguang Shao Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, China E-mail : xshao@ Received December 23, 2010; revised January 10, 2011; accepted January 21, 2011 Abstract Raman spectroscopy has been proven a noninvasive technique with high potential in pharmaceutical industry. In this study, micro Raman technique and chemometric tools were used for identification of azithromycin (AZM) tablets by different manufacturers and quantitative analysis of the active pharmaceutical ingredient (API) in the samples. Support vector machine (SVM), Bayes classifier and K-nearest neighbour (KNN) were employed for identification, partial least squares (PLS) regression was used for quantitative determination, and interval partial least squares (iPLS) and Monte Carlo based uninformative variable elimination (MC-UVE) methods were used to select informative variables for improving the models. The results show that all the samples can be classified into groups by manufacturers with high accuracy, and the correlation coefficient between the predicted API concentrations and reference values is as high as 0.96. Therefore, mi- cro Raman spectroscopy coupled with chemometrics may be a fast and powerful tool for identification and quantitative determination of pharmaceutical tablets. Keywords: Azithromycin, Raman Spectroscopy, Pharmaceutical Tablets, Variable Selection, Partial Least Squares (PLS) 1. Introduction