基于HS-SPME-GC-MS与超快速气相电子鼻的甘松不同部位快速鉴别  

Rapid Identification of Different Parts of Nardostachys jatamansi Based on HS-SPME-GC-MS and Ultra-fast Gas Phase Electronic Nose

作　　者：王涛 赵小勤 文阳 曲模妹妹 李敏 魏静 包晓明 李莹 刘圆 罗霄 李文兵 WANG Tao;ZHAO Xiaoqin;WEN Yang;QU Momeimei;LI Min;WEI Jing;BAO Xiaoming;LI Ying;LIU Yuan;LUO Xiao;LI Wenbing(College of Pharmacy,College of Grassland Resources,Tibetan Plateau Ethnic Medicinal Resources Protection and Utilization Key Laboratory of National Ethnic Affairs Commission of the People's Republic of China,Sichuan Provincial Qiang-yi Medicinal Resources Protection and Utilization Technology Engineering Laboratory,Southwest Minzu University,Chengdu 610225,China;Key Laboratory for Quality Monitoring and Evaluation of Traditional Chinese Medicine,National Medical Products Administration,Chengdu Institute for Drug Control,Chengdu 610045,China;Shimadzu Enterprise Management(China)Co.Ltd.,Chengdu 611900,China)

机构地区：[1]西南民族大学药学院,草地资源学院,青藏高原民族药用资源保护与利用国家民委重点实验室,四川省羌彝药用资源保护与利用技术工程实验室,都610225 [2]成都市药品检验研究院,国家药品监督管理局中药材质量监测评价重点实验室,成都610045 [3]岛津企业管理(中国)有限公司,成都611900

出　　处：《中国实验方剂学杂志》2025年第2期182-191,共10页Chinese Journal of Experimental Traditional Medical Formulae

基　　金：国家重点研发计划项目(2023YFC3504100);四川省重点研发项目(2024YFFK0190);四川省中医药管理局中医药科研专项(2023MS315);中央高校基本科研业务费专项(ZYN2023067);西南民族大学青藏高原研究院第一批科技创新团队项目(2024CXTD04)。

摘　　要：目的:建立甘松不同部位的香气成分快速识别模型,为甘松的市场流通和临床使用提供质量监管依据。方法:采用顶空固相微萃取-气相色谱-质谱法(HS-SPME-GC-MS),结合Smart aroma database、美国国家标准与技术研究院(NIST)数据库对甘松不同部位的香气成分进行定性分析,利用相对响应因子(RRF)和3种内标物对香气成分进行定量分析,根据P<0.01且变量重要性投影(VIP)值>1,通过正交偏最小二乘法-判别分析(OPLS-DA)和聚类热分析确定甘松不同部位的香气差异标志物;运用Heracles Ⅱ Neo超快速气相电子鼻采集甘松不同部位样品的气味数据,绘制气味指纹图谱及气味响应雷达图,探讨超快速气相电子鼻采集香气成分所属的化合物类型与HS-SPME-GC-MS定性、定量结果的关联程度。筛选区分能力≥0.700、峰面积≥200的色谱峰信息作为传感器数据,通过主成分分析(PCA)、判别因子分析(DFA)、软独立建模聚类分析(SIMCA)和统计质量控制分析(SQCA)建立甘松不同部位样品的快速识别模型。结果:HS-SPME-GC-MS香气成分分析结果表明,甘松地下和地上部分含28种共有成分,其中22种可实现定量,从中筛选出12种显著差异成分,其中异戊酸乙酯、2-戊基呋喃、苯甲醇、壬醛、冰乙酸等5种成分在甘松地上部分的含量显著高于地下部分(P<0.01);β-紫罗酮、百秋李醇、α-葎草烯、丁酸芳樟酯、巴伦西亚橘烯、1,8-桉叶油醇、百里香素等7种成分在甘松地下部分的含量显著高于地上部分(P<0.01)。Heracles Ⅱ Neo电子鼻检测结果表明,甘松地下部分及地上部分的PCA识别指数为82,分别提取2、3个主成分时,主成分因子贡献率分别为99.94%、99.89%;依据PCA构建的DFA模型判别因子1贡献率达100%;SIMCA模型对二者的判别验证得分为99;SQCA模型中2个部位样品可被明显区分。结论:基于HSSPME-GC-MS可明确甘松不同部位间共存在12种差异标志物;Heracles�Objective:To establish a model that can quickly identify the aroma components in different parts of Nardostachys jatamansi,so as to provide a quality control basis for the market circulation and clinical use of N.jatamansi.Methods:Headspace solid-phase microextraction-gas chromatography-mass spectrometry(HS-SPME-GC-MS)combined with Smart aroma database and National Institute of Standards and Technology(NIST)database were used to characterize the aroma components in different parts of N.jatamansi,and the aroma components were quantified according to relative response facto(r RRF)and three internal standards,and the markers of aroma differences in different parts of N.jatamansi were identified by orthogonal partial least squares-discriminant analysis(OPLS-DA)and cluster thermal analysis based on variable importance in the projection(VIP)value>1 and P<0.01.The odor data of different parts of N.jatamansi were collected by Heracles Ⅱ Neo ultra-fast gas phase electronic nose,and the correlation between compound types of aroma components collected by the ultra-fast gas phase electronic nose and the detection results of HS-SPME-GC-MS was investigated by drawing odor fingerprints and odor response radargrams.Chromatographic peak information with distinguishing ability≥0.700 and peak area≥200 was selected as sensor data,and the rapid identification model of different parts of N.jatamansi was established by principal component analysis(PCA),discriminant factor alysis(DFA),soft independent modeling of class analogies(SIMCA)and statistical quality control analysis(SQCA).Results:The HS-SPME-GC-MS results showed that there were 28 common components in the underground and aboveground parts of N.jatamansi,of which 22 could be quantified and 12 significantly different components were screened out.Among these 12 components,the contents of five components(ethyl isovalerate,2-pentylfuran,benzyl alcohol,nonanal and glacial acetic acid,)in the aboveground part of N.jatamansi were significantly higher than those in the underground

关 键 词：甘松 差异标志物 快速识别 顶空-固相微萃取(HS-SPME) 气相色谱-质谱法(GC-MS) 电子鼻 

分 类 号：R277[医药卫生—中医学] R931[理学—分析化学] O657[理学—化学]