Lan Zhen-Wei, Wang Lyu-Hong, Li Qi-Ting, Wang Shu-Mei, Meng Jiang
Engineering Technology Research Center for Chinese Materia Medica Quality of Universities in Guangdong Province,Key Laboratory of Digital Quality Evaluation of Chinese Materia Medica,State Administration of Traditional Chinese Medicine ( TCM) ,School of TCM,Guangdong Pharmaceutical University Guangzhou 510006,China.
Zhongguo Zhong Yao Za Zhi. 2021 Jul;46(14):3614-3624. doi: 10.19540/j.cnki.cjcmm.20210304.202.
The volatile oil of Curcumae Rhizoma has many active components,which are the key to the quality of Curcumae Rhizoma. Exploring the difference between volatile oil of different kinds of Curcumae Rhizoma facilitates the quality control and rational application of resources. In this study,GC-MS was applied to realize online qualitative and semi-quantitative analysis of the chemical composition spectrum of volatile oil from Curcuma wenyujin( CW),C. phaeocaulis( CP),and C. kwangsiensis( CK). Forty components were identified and their fingerprints were compared and evaluated. Hierarchical cluster analysis( HCA),principal component analysis( PCA),and orthogonal partial least squares discrimination analysis( OPLS-DA) were adopted to analyze the overall and outlier data. The results showed that the whole data could be divided into three kinds according to each analysis mode,and the volatile components of Curcumae Rhizoma vary greatly among species. PCA explored the difference between outliers and the mean value of the group and found that some volatile oils from CW may be greatly affected by the origin. By OPLS-DA,the samples from Zhejiang were able to gather,but those from Guizhou remained isolated,indicating the influence of growing environment on Curcumae Rhizoma metabolites. Based on VIP results combined with the heat map,characteristic volatile oil components of Curcumae Rhizoma from different varieties were screened out: curdione and linalool for CW; 2-undecanone for CP; humulene,γ-selinene,and zederone for CK. The GCMS method established in this study describes Curcumae Rhizoma samples comprehensively and accurately,and the characteristic components screened based on chemometrics can be used to distinguish Curcumae Rhizoma from different varieties and give them unique pharmacodynamic significance,which is fast,convenient,stable,and reliable and supports the rational application of Curcu-mae Rhizoma resources. It is found that the region of origin has great influence on CW,which is worthy of further study.
莪术挥发油含有多种活性成分，是莪术质量的关键所在。探究不同种类莪术挥发油之间的差异，有助于莪术的质量控制和资源的合理应用。本研究采用气相色谱-质谱联用技术（GC-MS），对温郁金（CW）、蓬莪术（CP）和广西莪术（CK）挥发油的化学组成谱进行在线定性和半定量分析。共鉴定出40种成分，并对其指纹图谱进行了比较和评价。采用层次聚类分析（HCA）、主成分分析（PCA）和正交偏最小二乘法判别分析（OPLS-DA）对整体数据和离群数据进行分析。结果表明，根据每种分析模式，整体数据可分为三类，不同种类莪术的挥发成分差异很大。PCA探究了离群值与组均值之间的差异，发现部分CW挥发油可能受产地影响较大。通过OPLS-DA分析，浙江的样品能够聚类，而贵州的样品则单独分离，表明生长环境对莪术代谢产物有影响。基于变量重要性投影（VIP）结果并结合热图，筛选出不同品种莪术的特征挥发油成分：CW的莪术二酮和芳樟醇；CP的2-十一酮；CK的α-葎草烯、γ-芹子烯和姜黄酮。本研究建立的GC-MS方法全面准确地描述了莪术样品，基于化学计量学筛选出的特征成分可用于区分不同品种的莪术，并赋予其独特的药效学意义，该方法快速、便捷、稳定、可靠，有助于莪术资源的合理应用。研究发现产地对CW影响较大，值得进一步研究。
