近红外光谱快速分析法在小儿清热止咳口服液中的应用  

A Rapid Analysis Method for Evaluating the Quality of Xiaoer Qingre Zhike Oral Liquid by Near Infrared Spectroscopy

作　　者：吴利敏[1] 杨季冬[1,2,3] 杨琼[2] 周尚[2] 张敏[1] 

机构地区：[1]西南大学化学化工学院,重庆400715 [2]长江师范学院化学化工学院,重庆408100 [3]重庆三峡学院化学与环境工程学院,重庆404100

出　　处：《分析科学学报》2013年第3期376-380,共5页Journal of Analytical Science

基　　金：重庆市科委攻关项目(No.2010AC5170);重庆市教委科技项目(No.KJ111303);重庆市涪陵区科委项目(FLKJ;2011ABA2028)

摘　　要：应用近红外光谱透射分析技术建立了小儿清热止咳口服液的快速定性和其活性成分快速定量的分析新方法。采用聚类分析模型鉴别口服液品牌,且9种品牌的小儿清热止咳口服液能准确地被鉴别;利用偏最小二乘法(PLS)可对小儿清热止咳口服液中的活性成分黄芩苷和甘草酸进行同时检测。以黄芩苷和甘草酸为指标成分建立的定量校正模型预测性能较好,校正模型的相关系数(R2)分别为94.96、91.86,内部交叉验证均方差(RMSECV)分别为0.104、0.0930mg·mL-1,外部预测均方根误差(RM-SEP)分别为0.124、0.0699mg·mL-1。结果证明,近红外光谱快速分析法用于小儿清热止咳口服液的定性、定量分析,准确度较高,能够满足对小儿清热止咳口服液进行质量检测的需要。A new method to rapidly identify and determine the active components in Xiaoer Qingre Zhike oral liquid by near infrared spectroscopy（NIRS）with transmission measurement was developed.The clustering analysis model was used to identify the brand of the oral liquid,and nine kinds of the brand of Xiaoer Qingre Zhike oral liquid could be accurately identified.The quantitative models were established with partial least squares（PLS）regression to synchronously determine the content of baicalin and glycyrrhizic acid in Xiaoer Qingre Zhike oral liquid,and showed good performance.The correlation coefficients（R2）of the calibration models were 94.96,91.86,the roots mean square of cross-validation（RMSECV）were 0.104,0.0930 mg.mL-1,and the roots mean square of prediction（RMSEP）were 0.124,0.0699mg.mL-1,respectively.The results prove that near infrared spectra method used for the qualitative and quantitative analysis of Xiaoer Qingre Zhike oral liquid has high accuracy and can meet the requirements for the quality testing of the oral liquid.

关 键 词：近红外光谱法 小儿清热止咳口服液 偏最小二乘法 聚类分析 定量分析 

分 类 号：O657.33[理学—分析化学]