中国实验方剂学杂志2025，Vol.31Issue(2) ：182-191.DOI:10.13422/j.cnki.syfjx.20241262

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

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
中国实验方剂学杂志2025，Vol.31Issue(2) ：182-191.DOI:10.13422/j.cnki.syfjx.20241262
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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

王涛 1赵小勤 2文阳 1曲模妹妹 1李敏 1魏静 1包晓明 3李莹 1刘圆 1罗霄 2李文兵1
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作者信息

  • 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,成都 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
  • 折叠

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HS-SPME-GC-MS可明确甘松不同部位间共存在12种差异标志物;Heracles Ⅱ Neo电子鼻提供的PCA、DFA、SIMCA和SQCA4种分析模型均可实现对甘松不同部位样品的快速识别,结合两者结果,推测萜类和羧酸类成分可能是造成甘松地下与地上部分香气差异的主要因素.

Abstract

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 factor(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(PC A),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 part(P＜0.01),the contents ofβ-ionone,patchouli alcohol,α-caryophyllene,linalyl butyrate,valencene,1,8-cineole and p-cymene in the underground part of N.jatamansi were significantly higher than those in the aboveground part(P＜0.01).Heracles Ⅱ Neo electronic nose results showed that the PCA discrimination index of the underground and aboveground parts of N.jatamansi was 82,and the contribution rates of the principal component factors were 99.94％and 99.89％when 2 and 3 principal components were extracted,respectively.The contribution rate of the discriminant factor 1 of the DFA model constructed on the basis of PCA was 100％,the validation score of the SIMCA model for discrimination of the two parts was 99,and SQCA could clearly distinguish different parts of N.jatamansi.Conclusion:HS-SPME-GC-MS can clarify the differential markers of underground and aboveground parts of N.jatamansi.The four analytical models provided by Heracles Ⅱ Neo electronic nose(PCA,DFA,SIMCA and SQCA)can realize the rapid identification of different parts of N.jatamansi.Combining the two results,it is speculated that terpenes and carboxylic acids may be the main factors contributing to the difference in aroma between the underground and aboveground parts of N.jatamansi.

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

Key words

Nardostachys jatamansi/differential markers/rapid identification/headspace solid-phase microextraction(HS-SPME)/gas chromatography-mass spectrometry(GC-MS)/electronic nose

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出版年

2025
中国实验方剂学杂志
中国中医科学院中药研究所　中国中西医结合学会中药专业委员会

中国实验方剂学杂志

CSCD北大核心
影响因子：1.62
ISSN：1005-9903
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