Measurement of borneol based on infrared spectrometry

作     者：谷筱玉 汪曣 孙惠丽 徐可欣 

作者机构：State Key Laboratory of Precision Measuring Technology and Instruments Tianjin University Tianjin 300072 

出 版 物：《Chinese Optics Letters》 (中国光学快报（英文版）)

年 卷 期：2005年第3卷第2期

页      面：116-118页

核心收录：

学科分类：0808[工学-电气工程] 07[理学] 0809[工学-电子科学与技术（可授工学、理学学位）] 070302[理学-分析化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

主　　题：Calibration Genetic algorithms Least squares approximations Medicine Quality control Standards 

摘      要：The infrared spectrometry contains multiple information of the sample, and it is easy to be applied to online measurement. To Chinese medicine, this technology can improve the standard of quality control and accelerate the modernization course. In this paper, we investigate the spectral characteristics of borneol, an effective ingredient in many Chinese medicines. The following results are achieved. In middle infrared （MIR） region, utilizing the linear relationship between absorption and concentration, the concentration of borneol with relative error within 4.30% in the strongest absorption region （2950-2970 cm^-1） is measured; in near infrared （NIR） region, the predicted concentrations of borneol are calculated by using partial least squares （PLS） regression analysis, in which the wavelengths are selected by genetic algorithm （GA） from the absorption bands of borneol in NIR region. The predicted relative error of calibration model is less than 2%. This result shows that PLS regression analysis combining genetic algorithm is a good method to improve prediction and reduce data in NIR region.