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白芷中的香豆素类成分在硫磺熏蒸后显著下降,因此需要对硫磺熏蒸的白芷建立快速定性鉴别,并建立欧前胡素含量定量模型,实现药材质量控制的目的。该文使用近红外(NIR)漫反射光谱技术采集硫磺熏蒸和非硫磺熏蒸的白芷的NIR光谱,以一阶导数和矢量归一化的方法进行预处理,采用OPUS/INDENT定性分析软件Ward’s Algorithm法进行聚类分析,在8 806.0~3 811.0 cm-1的聚类分析结果可以简单,快速地鉴别白芷是否被硫磺熏蒸。同时,以高效液相色谱法测定的欧前胡素分析值为参照,结合OPUS/QUANT定量分析软件偏最小二乘法,建立欧前胡素含量的定量模型。该模型的相关系数(R2),内部交叉验证均方差(RMSECV)和预测均方差(RMSEP)分别为0.982 8,0.006 8和0.011 8。建立的欧前胡素NIR定量模型可准确地用于快速测定白芷中欧前胡素的含量。
The content of coumarin in Angelica dahurica decreased significantly after fumigation with sulfur. Therefore, the establishment of rapid qualitative identification of Angelica dahuricae fumigated with sulfur and the establishment of the quantitative model of Imperatorin to achieve the purpose of quality control of medicinal materials. In this paper, NIR spectra of sulfur-fumigated and non-sulfur fumigated Angelica dahuricae were collected by near-infrared (NIR) diffuse reflectance spectroscopy and pretreated by first-order derivative and vector normalization. The OPUS / INDENT qualitative analysis software Ward’s Algorithm The results of cluster analysis of 8 806.0 ~ 3811.0 cm-1 can be used to identify whether Angelica dahurica is fumigated with sulfur easily and quickly. At the same time, the analysis of imperatorin by HPLC was used as a reference, combined with OPUS / QUANT quantitative analysis software partial least squares method to establish a quantitative model of imperatorin content. The model’s correlation coefficient (R2), internal cross-validation mean square error (RMSECV) and predicted mean square error (RMSEP) were 0.982 8,0.006 8 and 0.011 8, respectively. The established imperatorin NIR quantitative model can be accurately used for the rapid determination of imperatorin in the content of imperatorin.