近红外光谱在线采集技术检测华盖散提取液浓缩过程中的相关指标

Determination of Related Indexes in the Concentration Process of Huagai San Extraction Solution by Online Collection Technology for Near Infrared Spectroscopy

目的:建立在线快速检测华盖散提取液浓缩过程中相关指标的方法,为其判断浓缩终点提供参考。方法:采用近红外光谱(NIRS)在线采集装置采集华盖散提取液浓缩过程中73个浓缩液样品的在线光谱图,采用偏最小二乘法(PLS)建立NIRS与5个指标(浓缩液密度、含固量和苦杏仁苷、盐酸麻黄碱及盐酸伪麻黄碱含量)间的定量校正模型,并用另外15个浓缩液样品模型进行验证,分析预测值与测量值之间的相关性。结果:所建立的定量校正模型中浓缩液密度、含固量和苦杏仁苷、盐酸麻黄碱及盐酸伪麻黄碱含量的相关系数(R2)分别为0.9825、0.9999、0.9983、0.9994、0.9993,校正集均方根误差(RMSEC)分别为0.0016、0.0251、0.0147、0.0018、0.0009,交叉验证均方根误差(RMSECV)分别为0.0021、0.0358、0.0336、0.0063、0.0013。15个样品验证后,预测均方根误差(RMSEP)分别为0.0032、0.0246、0.0215、0.0077、0.0059。结论:本研究所建立的定量校正模型预测性良好,可为华盖散提取液浓缩终点的在线判断提供依据。

OBJECTIVE:To establish the method for online rapid detection of related indexes in the concentration process of Huagai san extraction solution,and to provide reference for judgment of concentration end point.METHODS:Online diagram of 73 concentrated samples in the concentration process of Huagai san extraction solution were drawn by NIRS online collection equipment.The partial least squares(PLS)method was used to establish the NIRS quantitative calibration model of 5 related indexes(concentration density,solid content,the contents of amygdalin,ephedrine hydrochloride and pseudoephedrine hydrochloride).Another 15 samples were used to validate the model,and the correlation of predicted value and measured value was analyzed.RESULTS:The correlation coefficients(R2)of the concentration density,solid content,the contents of amygdalin,ephedrine hydrochloride and pseudoephedrine hydrochloride in the quantitative calibration model were 0.9825,0.9999,0.9983,0.9994 and 0.9993,respectively;the root mean square errors of calibration(RMSEC)were 0.0016,0.0251,0.0147,0.0018 and 0.0009;the root mean square errors of cross validation(RMSECV)were 0.0021,0.0358,0.0336,0.0063 and 0.0013,respectively.After validation by 15 samples,root mean square errors of prediction(RMSEP)were 0.0032,0.0246,0.0215,0.0077 and 0.0059,respectively.CONCLUSIONS:The established quantitative calibration model has good predictability and can provide basis for online judgment of concentration end point of Huagai san extraction solution.