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利用近红外光谱结合化学计量学工具对四种植物来源的郁金进行快速鉴别和定量分析。

Fast discrimination and quantification analysis of Curcumae Radix from four botanical origins using NIR spectroscopy coupled with chemometrics tools.

作者信息

Wang Le, Wang Xiuhuan, Liu Xiaoyun, Wang Yu, Ren Xueyang, Dong Ying, Song Ruolan, Ma Jiamu, Fan Qiqi, Wei Jing, Yu AXiang, Zhang Lanzhen, She Gaimei

机构信息

School of Chinese Materia Medica, Beijing University of Chinese Medicine, Fangshan District, Beijing, China.

School of Chinese Materia Medica, Beijing University of Chinese Medicine, Fangshan District, Beijing, China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2021 Jun 5;254:119626. doi: 10.1016/j.saa.2021.119626. Epub 2021 Feb 26.

DOI:10.1016/j.saa.2021.119626
PMID:33677207
Abstract

Curcumae Radix (Yujin) is a multi-origin herbal medicine with excellent clinical efficacy. For fast discrimination and quantification analysis of Yujin from four botanical origins (Guiyujin, Huangyujin, Lvyujin and Wenyujin), near infrared (NIR) spectroscopy combined with chemometrics tools was employed in this study. Based on NIR data, principal component analysis (PCA) could only realize the separation between Guiyujin and Wenyujin samples, and the partial least squares-discrimination analysis (PLS-DA), support vector machine (SVM) and k-nearest neighbors (KNN) models achieved the complete discrimination of the four species of Yujin with 100% accuracy. Moreover, the method for the simultaneous determination of six bioactive compounds in Yujin was developed by HPLC. Germacrone, curdione and curcumenol could be found in all samples, and curcumin, demethoxycurcumin and bisdemethoxycurcumin were only observed in Huangyujin samples. Then, the support vector machine regression (SVMR) model for the prediction of germacrone content was successfully constructed. And the coefficients of determination were 0.88 and 0.89 for calibration and validation sets, respectively. The present work proposes a quick, economic and reliable method for the discrimination of Yujin from four botanical origins and the prediction of germacrone content, which will contribute to its quality control researches.

摘要

郁金是一种多来源的草药,临床疗效良好。为了快速鉴别和定量分析四种植物来源(桂郁金、黄郁金、绿丝郁金和温郁金)的郁金,本研究采用近红外(NIR)光谱结合化学计量学工具。基于近红外数据,主成分分析(PCA)只能实现桂郁金和温郁金样品之间的分离,而偏最小二乘判别分析(PLS-DA)、支持向量机(SVM)和k近邻(KNN)模型实现了对四种郁金的完全鉴别,准确率达100%。此外,采用高效液相色谱法建立了同时测定郁金中六种生物活性成分的方法。所有样品中均能检测到莪术酮、莪术二酮和莪术醇,而姜黄素、去甲氧基姜黄素和双去甲氧基姜黄素仅在黄郁金样品中被检测到。然后,成功构建了预测莪术酮含量的支持向量机回归(SVMR)模型。校准集和验证集的决定系数分别为0.88和0.89。本研究提出了一种快速、经济且可靠的方法,用于鉴别四种植物来源的郁金并预测莪术酮含量,这将有助于其质量控制研究。

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