PLS-近红外漫反射光谱法对氢氧化铝粉末药品非破坏定量分析  

Nondestructive Quantitative Analysis of Aluminum Hydrochloride Powder Drug via Near-infrared Spectroscopy Combined with Partial Least Squares

作　　者：商金卓[1] 王彬[1] 任瑞冰[1] 赵羚志[1] 任玉林[1] 

机构地区：[1]吉林大学化学学院,长春130021

出　　处：《生命科学仪器》2009年第6期43-45,共3页Life Science Instruments

摘　　要：本文采用近红外漫反射光谱法对氢氧化铝粉末药品中主要成分氢氧化铝进行快速、无损定量分析。采用偏最小二乘法(PLS)建立近红外光谱信息与待测组分含量间的最佳数学校正模型。讨论了光谱的预处理方法和主成分数对PLS定量预测能力的影响,并对预测集样品含量进行预测,得到了较为满意的结果。A method for non-destructive quantitative analysis of aluminum hydrochloride powder was investigated by using of partial least squares （PLS） method combined with near-infrared spectroscopy. The optimal mathematic calibration models for the determination of the concentration of aluminum hydrochloride were built simultaneously. Furthermore, three different pretreated spectra （SNV, MSC and first-derivative spectra） were used and compared. The effects of the number of principal components on the predicted ability of PLS models were discussed and the concentrations of the active component in the prediction samples were predicted. The PLS model that established with SNV preprocessed spectra shows the best result.

关 键 词：近红外光谱法 偏最小二乘法(PLS) 光谱预处理 非破坏定量分析 氢氧化铝粉末药品 

分 类 号：TQ460.72[医药卫生—药物分析学] TQ325.14[化学工程—制药化工]