基于Heracles NEO超快速气相电子鼻的硫熏白芍快速鉴别研究  

Rapid identification of raw and sulfur-fumigated Paeoniae Radix Alba based on Heracles NEO ultra-fast gas phase electronic nose

作　　者：张玖捌 张伟[1,2] 费程浩 苏联麟 毛春芹 王吓长[1] 许金国 陆兔林[1] ZHANG Jiu-ba;ZHANG Wei;FEI Cheng-hao;SU Lian-lin;MAO Chun-qin;WANG Xia-chang;XU Jin-guo;LU Tu-lin(School of Pharmacy,Nanjing University of Chinese Medicine,Nanjing 210023,China;College of Pharmacy,Anhui University of Chinese Medicine,Hefei 230012,China)

机构地区：[1]南京中医药大学药学院,江苏南京210023 [2]安徽中医药大学药学院,安徽合肥230012

出　　处：《中国中药杂志》2022年第14期3781-3787,共7页China Journal of Chinese Materia Medica

基　　金：国家重点研发计划“中医药现代化研究”专项(2019YFC1711500);国家重点研发计划项目(2018YFC1707000)。

摘　　要：基于当前硫熏白芍检测方法操作繁琐复杂、耗时较长、对技术要求较高等问题,采用Heracles NEO超快速气相电子鼻技术,对硫熏与未硫熏白芍饮片样品进行鉴别研究,以期建立一种硫熏白芍的快速鉴别方法。利用Heracles NEO超快速气相电子鼻对硫熏与未硫熏白芍饮片样品进行气味分析,根据获取的气味色谱信息,建立化学计量学模型,运用主成分分析(PCA)、判别因子分析(DFA)、软独立建模聚类分析(SIMCA)以及偏最小二乘法-判别因子分析(PLS-DA)对所得数据进行处理。同时结合Kovats保留指数以及Arochembase数据库内容,对白芍饮片硫熏前后2类样品的差异化合物进行定性分析。对硫熏与未硫熏白芍饮片样品的气相色谱图进行对比分析,发现白芍饮片硫熏后多处色谱峰峰高均发生明显变化;其中,乙苯因在硫熏过程中发生磺化反应,所产生的色谱峰(8号峰)完全消失,这表明乙苯可能是鉴别硫熏白芍的关键成分;在PCA、DFA、SIMCA和PLS-DA模型中,2类样品明显分为2个不同区域,表明所建模型能够明显区分硫熏与未硫熏白芍饮片。研究结果表明,Heracles NEO超快速气相电子鼻技术能够实现对硫熏白芍的快速鉴别,为硫熏中药饮片的快速鉴别提供了新的方法与思路。Since the current identification method for Paeoniae Radix Alba is complex in operation and long time-consuming with high requirements for technicians, the present study employed Heracles NEO ultra-fast gas phase electronic nose(E-nose) technology to identify raw and sulfur-fumigated Paeoniae Radix Alba decoction pieces in order to establish a rapid identification method for sulfur-fumigated Paeoniae Radix Alba. The odors of raw Paeoniae Radix Alba and its sulfur-fumigated products were analyzed by Heracles NEO ultra-fast gas phase E-nose to obtain the odor chromatographic information. The chemometric model was established, and the data were processed by principal component analysis(PCA), discriminant function analysis(DFA), soft independent modeling of class analogy(SIMCA), and partial least squares discriminant analysis(PLS-DA). The differential compounds of raw and sulfur-fumigated samples were qualitatively analyzed based on the Kovats retention index and Arochembase. As revealed by the comparison of gas chromatograms of raw and sulfur-fumigated Paeoniae Radix Alba, the heights of several peaks in the chromatograms before and after sulfur fumigation changed significantly. The peak(No.8) produced by ethylbenzene disappeared completely due to sulfonation reaction in the process of sulfur fumigation, indicating that ethylbenzene may be the key component in the identification of Paeoniae Radix Alba and its sulfur-fumigated products. In PCA, DFA, SIMCA, and PLS-DA models, the two types of samples were separated into two different regions, indicating that the established models can clearly distinguish between raw and sulfur-fumigated Paeoniae Radix Alba. The results showed that Heracles NEO ultra-fast gas phase E-nose technology could realize the rapid identification of raw and sulfur-fumigated Paeoniae Radix Alba, which provides a new method and idea for the rapid identification of sulfur-fumigated Chinese medicine.

关 键 词：白芍 硫熏 快速鉴别 超快速气相电子鼻 

分 类 号：R282.5[医药卫生—中药学]