Yu Shu-Lin, Gong Jian-Ting, Li Li, Guan Jia-Li, Zhai En-Ai, Ouyang Shao-Qin, Zou Hui-Qin, Yan Yong-Hong
School of Chinese Materia Medica, Beijing University of Chinese Medicine Beijing 102488, China.
Beijing Institute of Traditional Chinese Medicine Beijing 100010, China.
Zhongguo Zhong Yao Za Zhi. 2023 Apr;48(7):1833-1839. doi: 10.19540/j.cnki.cjcmm.20230115.101.
The odor fingerprint of Pollygonati Rhizoma samples with different mildewing degrees was analyzed and the relationship between the odor variation and the mildewing degree was explored. A fast discriminant model was established according to the response intensity of electronic nose. The α-FOX3000 electronic nose was applied to analyze the odor fingerprint of Pollygonati Rhizoma samples with different mildewing degrees and the radar map was used to analyze the main contributors among the volatile organic compounds. The feature data were processed and analyzed by partial least squares discriminant analysis(PLS-DA), K-nearest neighbor(KNN), sequential minimal optimization(SMO), random forest(RF) and naive Bayes(NB), respectively. According to the radar map of the electronic nose, the response values of three sensors, namely T70/2, T30/1, and P10/2, increased with the mildewing, indicating that the Pollygonati Rhizoma produced alkanes and aromatic compounds after the mildewing. According to PLS-DA model, Pollygonati Rhizoma samples of three mildewing degrees could be well distinguished in three areas. Afterwards, the variable importance analysis of the sensors was carried out and then five sensors that contributed a lot to the classification were screened out: T70/2, T30/1, PA/2, P10/1 and P40/1. The classification accuracy of all the four models(KNN, SMO, RF, and NB) was above 90%, and KNN was most accurate(accuracy: 97.2%). Different volatile organic compounds were produced after the mildewing of Pollygonati Rhizoma, and they could be detected by electronic nose, which laid a foundation for the establishment of a rapid discrimination model for mildewed Pollygonati Rhizoma. This paper shed lights on further research on change pattern and quick detection of volatile organic compounds in moldy Chinese herbal medicines.
分析了不同霉变程度的黄精样品的气味指纹图谱,探讨了气味变化与霉变程度之间的关系。根据电子鼻的响应强度建立了快速判别模型。应用α-FOX3000电子鼻分析不同霉变程度的黄精样品的气味指纹图谱,并利用雷达图分析挥发性有机化合物中的主要贡献成分。分别采用偏最小二乘判别分析(PLS-DA)、K近邻(KNN)、序列最小优化(SMO)、随机森林(RF)和朴素贝叶斯(NB)对特征数据进行处理和分析。根据电子鼻雷达图,T70/2、T30/1和P10/2这3个传感器的响应值随霉变程度增加而升高,表明黄精霉变后产生了烷烃类和芳香类化合物。根据PLS-DA模型,3种霉变程度的黄精样品在3个区域能得到很好的区分。随后进行传感器变量重要性分析,筛选出对分类贡献较大的5个传感器:T70/2、T30/1、PA/2、P10/1和P40/1。4种模型(KNN、SMO、RF和NB)的分类准确率均在90%以上,其中KNN最准确(准确率:97.2%)。黄精霉变后产生了不同的挥发性有机化合物,且能被电子鼻检测到,这为建立霉变黄精快速判别模型奠定了基础。本文为进一步研究霉变中药材挥发性有机化合物的变化规律及快速检测提供了思路。