一种基于近红外光谱的华蟾素醇沉过程指标成分及其转移率快速测定方法

Fast analytical method on content and transfer rate of marker component in ethanol precipitation of cinobufacini by near infrared spectroscopy

目的:建立一种快速测定华蟾素醇沉过程中吲哚类生物碱含量和转移率的近红外光谱法。方法:收集华蟾素醇沉过程样品,以紫外分光光度法为对照分析方法测定样品中吲哚类生物碱浓度,经过异常样品的剔除、光谱预处理和波段选择,运用偏最小二乘法(PLS)建立近红外光谱与吲哚类生物碱浓度分析值之间多元校正模型,并对醇沉过程的未知样本进行含量和转移率预测。结果:校正模型的相关系数达到0.961 3,RMSEC,RMSEP分别为0.172,0.169,计算模型的RPD为4.13,说明该模型可进行定量分析。结论:在中药醇沉过程中近红外光谱法可以作为一种快速、准确、无损的检测方法予以应用。

The method of near infrared spectroscopy was established to analyze the content and transfer rate of the marker component,indole alkaloids,of cinobufacini in the process of ethanol precipitation.The samples of cinobufacini were collected,and the concentration of indole alkaloids was determined by the reference method,UV-vis spectroscopy.After the rejection of abnormal samples,the pretreatment of spectra and the choice of the corresponding wave band,the multivariate calibration models were established using PLS algorithm between spectra and the UV values.The samples in ethanol precipitation,which did not participate in modeling,were used to examine the performance of the models.The correlation coefficient of the calibration model was 0.961 3.Root mean square error of calibration（RMSEC） and root mean square error of prediction（RMSEP） were 0.172 and 0.169,respectively.Furthermore,residual predictive deviation（RPD） of the model was 4.13,which meant quantity analysis was feasible.It is concluded that near infrared spectroscopy can be considered as a fast,effective and non-destructive analysis method applied in the process of ethanol precipitation for traditional Chinese medicine.