[关键词]
[摘要]
目的 基于气相色谱-离子迁移谱(GC-IMS)技术建立白及Bletilla striata饮片及其常见伪品饮片的挥发性有机物指纹图谱,探索用于快速鉴别白及饮片真伪的新方法。方法 以常见伪品玉竹Polygonatum odoratum饮片为例,基于GC-IMS检测白及饮片和玉竹饮片的挥发性有机物,采用直观法和指纹图谱法对比两者挥发性有机物的差异,并对其进行定性分析,再基于指纹图谱筛选的差异峰建立多种辨识模型,以评价GC-IMS技术用于白及饮片快速真伪鉴别的可行性,最后根据正交偏最小二乘判别分析(orthogonal partial leastsquares-discrimination analysis,OPLS-DA)模型的变量重要性投影(variable importance projection,VIP)和P值筛选两者的差异标志物。结果 2种饮片挥发性有机物的峰强度存在一定的差异,结合指纹图谱进一步对比两者的挥发性有机物含量差异发现白及和玉竹各有53和38个特征挥发性有机物;以筛选的差异峰峰体积作为变量建立分类模型,发现OPLS-DA、K最邻近等模型分类预测的准确率均为100%,最后根据VIP值和P值还确定了4-甲基-2-戊酮(二聚体)等21种用于快速鉴别2种饮片的差异标志物,并基于差异标志物提出了一种快速鉴别白及和玉竹的新方法。结论 基于GC-IMS技术可快速检测白及饮片与玉竹饮片的挥发性有机物,通过对比其差异,并借助化学计量学方法可实现白及饮片与玉竹饮片的快速、准确鉴别,为白及饮片的快速质量评价提供了新的思路。
[Key word]
[Abstract]
Objective To establish the fingerprint of volatile organic compounds in Bletilla striata decoction pieces and its common counterfeit decoction pieces based on gas chromatography-ion mobility spectroscopy (GC-IMS), and explore a new method for rapid identification of B. striata. Methods Taking the common counterfeit products Polygonatum odoratum decoction pieces as an example, the volatile organic compounds (VOCs) in B. striata and P. odoratum decoction pieces were detected based on GC-IMS. The differences of VOCs in the two kinds of decoction pieces were compared by the intuitive method and fingerprinting method, and a qualitative analysis was carried out to identify these volatile organic compounds. Then, a variety of identification models were established based on the differential peak screened by fingerprint to evaluate the feasibility of GC-IMS technology for rapid authenticity identification of B. striata decoction pieces. Finally, the differential marker was screened according to the variable importance projection (VIP) and P-value of the orthogonal partial least-squares discrimination analysis (OPLS-DA) model. Results Through preliminary analysis, it can be observed that the peak intensity of VOCs in two kinds of decoction pieces has a certain difference. Combined with fingerprint, it was found that there were 53 and 38 characteristic VOCs in B. striata and P. odoratum, respectively. The classification model was established with the selected differential peak volume as a variable. It was found that the accuracy of the OPLS-DA and K-Nearest Neighbor model was 100%. Finally, according to the VIP value and P-value, 21 kinds of differential markers such as 4-methyl-2-pentanone (dimer) were determined for rapid identification of two kinds of decoction pieces, and a new method for rapid identification of B. striata and P. odoratum was proposed based on the differential markers. Conclusion The VOCs of B. striata decoction pieces and P. odoratum decoction pieces can be rapidly detected based on GC-IMS. By comparing the differences of VOCs, and combined with chemometrics methods, the rapid and accurate identification of B. striata decoction pieces and P. odoratum decoction pieces can be realized, which can provide a new idea for the rapid quality evaluation of B. striata decoction pieces.
[中图分类号]
R286.2
[基金项目]
国家自然科学基金项目(81773892);国家重点研发计划中医药现代化重点专项(2017YFC1703400);国家重点研发计划中医药现代化重点专项课题(2017YFC1703401,2017YFC1703402);河南省中医药拔尖人才培养项目(重点项目)(2019ZYBJ07);河南省高层次人才特殊支持“中原千人计划”-“中原青年拔尖人才”项目(ZYQR201912158);河南省卫生健康中青年学科带头人专项(HNSWJW-2020014);河南省科技攻关项目(222102310377);河南省卫生健康委员会国家中医临床研究基地科研专项课题(2021JDZY104)