Rapid quantification of multi-components in alcohol precipitation liquid of Codonopsis Radix using near infrared spectroscopy (NIRS)

Abstract

A near infrared spectroscopy (NIRS) approach was established for quality control of the alcohol precipitation liquid in the manufacture of Codonopsis Radix. By applying NIRS with multivariate analysis, it was possible to build variation into the calibration sample set, and the Plackett-Burman design, Box-Behnken design, and a concentrating-diluting method were used to obtain the sample set covered with sufficient fluctuation of process parameters and extended concentration information. NIR data were calibrated to predict the four quality indicators using partial least squares regression (PLSR). In the four calibration models, the root mean squares errors of prediction (RMSEPs) were 1.22 μg/ml, 10.5 μg/ml, 1.43 μg/ml, and 0.433% for lobetyolin, total flavonoids, pigments, and total solid contents, respectively. The results indicated that multi-components quantification of the alcohol precipitation liquid of Codonopsis Radix could be achieved with an NIRS-based method, which offers a useful tool for real-time release testing (RTRT) of intermediates in the manufacture of Codonopsis Radix.

摘 要

目 的

建立党参醇沉上清液中多指标的快速**红外光谱分 析法, 帮助实现党参醇沉中间体的实时放行检测。

创新点

采用**红外光谱技术建立党参醇沉过程中间体的 质控方法, 实现醇沉上清液中4 种关键质量属性 的同时定量。

方 法

将**红外光谱技术与多变量数据处理相结合, 在 建模样本制备中, 通过实验设计的方法引入过程 参数的波动(表1 和表2), 先浓缩后稀释的方 法进一步扩大样品浓度范围, 以模型预测能力为 指标选择了最优的预处理方法、建模波段和回归 算法, 得到4 个指标的最佳回归模型。

结 论

实现了党参醇沉上清液中4 类指标的**红外光谱 快速分析法, 所建党参炔苷、总黄酮、色素和固 含量模型的预测均方根误差(RMSEP)值分别为 1.22 μg/ml、10.50 μg/ml、1.43 μg/ml 和0.433%。