广西莪术和蓬莪术中药超分子“印迹模板”特征研究  

Study on the Characteristics of Supramolecular“Imprinting Template”of Curcuma kwangsiensis and Curcuma phaeocaulis

作　　者：张伟龙 王玉钗 谯茹 贺鹏 梁珊珊 刘晟 谭应阳 唐昱[1,2,3] 龚力民 贺福元[1,2,3] 潘雪[1,2,3] ZHANG Weilong;WANG Yuchai;QIAO Ru;HE Peng;LIANG Shanshan;LIU Sheng;TAN Yingyang;TANG Yu;GONG Limin;HE Fuyuan;PAN Xue(College of Pharmacy,Hunan University of Chinese Medicine,Changsha 410208,China;Hunan Key Laboratory of Druggability and Preparation Modification of TCM,Changsha 410208,China;Laboratory of Supramolecular Mechanism and Mathematic-Physics Characterization for Chinese Materia Medicine,Hunan University of Chinese Medicine,Changsha 410208,China)

机构地区：[1]湖南中医药大学药学院,湖南长沙410208 [2]中药成药性与制剂制备湖南省重点实验室,湖南长沙410208 [3]湖南中医药大学中医药超分子机理与数理特征化实验室,湖南长沙410208

出　　处：《中国中医药信息杂志》2024年第6期123-129,共7页Chinese Journal of Information on Traditional Chinese Medicine

基　　金：湖南省卫生健康委基金项目(D202313058493);湖南省中医药管理局科研项目(2021078);湖南省教育厅青年项目(22B0379)。

摘　　要：目的基于中药超分子“气析”理论结合化学计量学对广西莪术和蓬莪术挥发油成分“印迹模板”的特征进行分析和研究。方法采用水蒸气蒸馏法提取广西莪术和蓬莪术挥发油,并用气质联用法建立其指纹图谱。应用总量统计矩法对2种莪术“印迹模板”的印迹性进行对比;计算各批莪术挥发油的物芯指数(CI),结合化学计量学对2种莪术“印迹模板”的拓扑结构特征进行对比。结果广西莪术和蓬莪术的挥发油提取率无明显差异;两者的总量零阶矩分别为(1.907±0.177)×10^(8)、(1.979±0.413)×10^(8)μV·s,表明两者挥发油成分总含量无明显差异;总量一阶矩分别为(30.969±0.962)、(33.198±0.409)min,总量二阶矩分别为(56.176±11.368)、(43.891±4.113)min^(2),表明两者挥发油成分含量配比及种类有显著差异;2种莪术总量统计矩相似度大多低于界定值,表明两者挥发油的整体化学成分与其构成比存在差异性;主成分分析和正交偏最小二乘-判别分析可明显将广西莪术和蓬莪术分为两类;通过P值与变量重要性投影值分析,确定广西莪术和蓬莪术的Xvp四阶、Xvpc五阶、Xvpc六阶、Xvpc七阶、Xvc三阶、Xvpc四阶6个阶数的CI值为主要差异性数值。结论通过对中药超分子“印迹模板”进行“印迹性”及“拓扑特征”的表征并结合化学计量学分析可成功区分广西莪术和蓬莪术,并找到2种莪术“印迹模板”差异性的CI值。Objective The characteristics of supramolecular“imprinting template”of volatile oil of Curcuma kwangsiensis and Curcuma phaeocaulis were analyzed and studied based on the supramolecular“qixi”theory of Chinese materia medica combined with chemometrics.Methods The volatile oil of C.kwangsiensis and C.phaeocaulis were extracted by steam distillation,and the fingerprint and composition information of each batch were obtained by GC-MS.Total statistical moment method was used to compare the imprinting characteristics of the“imprinting template”of C.kwangsiensis and C.phaeocaulis.The core index(CI)of each batch of essential oil of C.kwangsiensis and C.phaeocaulis was calculated,and the topological characteristics of types of“imprinting template”of C.kwangsiensis and C.phaeocaulis were compared by chemometrics.Results There was no significant difference in the extraction rate of volatile oil between C.kwangsiensis and C.phaeocaulis.The average values of total zero order moment(AUCT)were(1.907±0.177)×10^(8),(1.979±0.413)×10^(8)μV·s,respectively,showing that there was no significant difference in the total content of volatile oil between the two groups.The mean values of the total first order moment(MCRTT)were(30.969±0.962)and(33.198±0.409)min.The average value of total second order moment(VCRTT)was(56.176±11.368)and(43.891±4.113)min^(2),respectively,indicating that there were significant differences in the content ratio and species of volatile oils between the two groups.The similarity of total statistical moments of C.kwangsiensis and C.phaeocaulis was mostly lower than the defined value,indicating that the chemical composition and composition ratio of the volatile oil were different.Principal component analysis and orthogonal partial least squares discriminant analysis could obviously divide C.kwangsiensis and C.phaeocaulis into two categories.Through the analysis of P value and VIP value,the CI values of Xvp 4th order,Xvpc 5th order,Xvpc 6th order,Xvpc 7th order,Xvc 3rd order,Xvpc 4th order we

关 键 词：广西莪术 蓬莪术 挥发油 中药超分子 印迹模板 物芯指数 总量统计矩 化学计量学 

分 类 号：R284.1[医药卫生—中药学]