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近红外特征谱段相关系数法中特征谱段选择方法的探讨英文刘婷
Journal of Chinese Pharmaceutical Sciences 83
Selection of characteristic spectral bands for the analysis by the NIR
correlation coefficient method
1,2 2 1 1,2*
Ting Liu , YanChun Feng , DanQing Song , ChangQin Hu
1. Institute of Medicinal Biotechnology, Peking Union Medical College and Chinese Academy of Medical Sciences, Beijing
100050, China
2. National Institute for the Control of Pharmaceutical and Biological Products, Beijing 100050, China
Abstract: We analyzed the infrared (IR)near infrared (NIR) 2D correlation spectra of drugs perturbed by temperature. By identification
of functional groups by IR spectrum and by the correlation analysis of IRNIR spectrum, we identified the characteristic spectral
bands that were closely related to the structure of a drug substance of interest. These characteristic spectral bands were relatively
less interfered by other ingredients for analysis by the NIR correlation coefficient method. With these characteristic spectral
bands, the accuracy of screening illegally added Sildenafil citrate, Tadalafil and Metformin hydrochloride in Chinese patent drugs
and healthcare products reached about 90%, which met the requirements of rapid screening.
Keywords:Twodimensional correlation spectroscopy; NIR; Correlation coefficient method by characteristic spectral bands;
Chinese patent drug; Illegal additive
CLC number: R917 Document code: A Article ID: 1003–1057(2011)1–83–09
1. Introduction The strength of NIR characteristic spectral band
correlation coefficient method depends on the
The safety of food and pharmaceutical products in
China has raised widespread public conc
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