School of Chinese Materia Medica, Beijing University of Chinese Medicine, Fangshan District, Beijing, China; Beijing Key Laboratory for Quality Evaluation of Chinese Materia Medica, China; School of Pharmacy, Minzu University of China, 27 Zhongguancun South Avenue, Beijing, China.
School of Chinese Materia Medica, Beijing University of Chinese Medicine, Fangshan District, Beijing, China; Beijing Key Laboratory for Quality Evaluation of Chinese Materia Medica, China.
J Ethnopharmacol. 2021 Nov 15;280:114422. doi: 10.1016/j.jep.2021.114422. Epub 2021 Jul 15.
Curcumae Radix (Yujin) has a long medicinal use history in China, which is used to cure diseases like jaundice, cholelithiasis caused by dampness-heat of gallbladder and liver, and so on. It comes from the dried tuberous roots of C. kwangsiensis (Guiyujin), C. longa (Huangyujin), C. phaeocaulis (Lvyujin) and C. wenyujin (Wenyujin). Though there are differences in chemical compositions and pharmacological activities among the four species of Yujin, they have not been differentiated well in clinical application due to their similar morphological characterizations.
In this study, the four species of Yujin were rapidly and accurately discriminated. The potential volatile markers for varietal recognition were identified.
Attenuated total reflection fourier transformed infrared (ATR-FTIR) spectroscopy combined with chemometrics was used to rapidly discriminate the four species of Yujin. Headspace-gas chromatography-mass spectrometry (HS-GC-MS) technology coupled with chemometrics was employed to characterize volatile profiling, differentiate species and select potential markers for varietal recognition of Yujin.
By applying PCA (principal components analysis) and HCA (hierarchical cluster analysis), HS-GC-MS realized complete differentiation of the four species of Yujin, while ATR-FTIR only recognized Guiyuijin. Back propagation neural network (BP-NN), KNN (K-nearest neighbor) and LDA (linear discriminant analysis) models based on spectral data achieved 100% discriminant accuracies. Support vector machines (SVM), KNN and PLS-DA (partial least square discriminant analysis) models based on volatile compounds also realized 100% discriminant accuracies. Additionally, the potential volatile markers for varietal recognition of Yujin were screened using PLS-DA, including 2 for Guiyujin, 6 for Lvyujin, 9 for Wenyujin and 13 for Huangyujin.
The present study developed reliable methods for the varietal discrimination and volatile compounds characterization of Yujin, which will provide references for its quality control and clinical efficacy.
莪术来源于广西莪术（桂郁金）、姜黄（黄郁金）、蓬莪术（绿丝郁金）和温郁金（温莪术）的干燥根茎，在中国有长期的药用历史，用于治疗黄疸、湿热型胆石症和肝脏等疾病。虽然四种郁金的化学成分和药理活性存在差异，但由于它们的形态特征相似，在临床应用中尚未得到很好的区分。
本研究旨在快速准确地区分四种郁金。确定用于品种识别的潜在挥发性标志物。
采用衰减全反射傅里叶变换红外（ATR-FTIR）光谱结合化学计量学快速区分四种郁金。采用顶空-气相色谱-质谱联用（HS-GC-MS）技术结合化学计量学对挥发性成分进行特征分析，区分物种，并选择用于郁金品种识别的潜在标志物。
通过应用 PCA（主成分分析）和 HCA（层次聚类分析），HS-GC-MS 实现了四种郁金的完全区分，而 ATR-FTIR 仅识别出桂郁金。基于光谱数据的反向传播神经网络（BP-NN）、KNN（K-最近邻）和 LDA（线性判别分析）模型实现了 100%的判别准确率。基于挥发性化合物的支持向量机（SVM）、KNN 和 PLS-DA（偏最小二乘判别分析）模型也实现了 100%的判别准确率。此外，还通过 PLS-DA 筛选出了用于郁金品种识别的潜在挥发性标志物，包括桂郁金 2 种、绿丝郁金 6 种、温莪术 9 种和黄郁金 13 种。
本研究为郁金的品种鉴别和挥发性成分特征提供了可靠的方法，为其质量控制和临床疗效提供了参考。
