Identification of Bletilla striata and related decoction pieces: a data fusion method combining electronic nose, electronic tongue, electronic eye, and high-performance liquid chromatography data

被引:9
作者
Li, Han [1 ]
Wang, Pan-Pan [2 ]
Lin, Zhao-Zhou [3 ]
Wang, Yan-Li [2 ]
Gui, Xin-Jing [2 ]
Fan, Xue-Hua [1 ]
Dong, Feng-Yu [1 ]
Zhang, Pan-Pan [1 ]
Li, Xue-Lin [2 ,4 ,5 ,6 ]
Liu, Rui-Xin [2 ,4 ,5 ,6 ,7 ]
机构
[1] Henan Univ Chinese Med, Sch Pharm, Zhengzhou, Peoples R China
[2] Henan Univ Chinese Med, Affiliated Hosp 1, Dept Urol, Zhengzhou, Peoples R China
[3] Beijing Zhongyan Tongrentang Med R&D Co Ltd, Beijing, Peoples R China
[4] Henan Prov Engn Res Ctr Clin Applicat Evaluat & Tr, Zhengzhou, Peoples R China
[5] Henan Univ Chinese Med, Coconstruct Collaborat Innovat Ctr Chinese Med & R, Zhengzhou, Peoples R China
[6] Henan Prov Key Lab Clin Pharm Tradit Chinese Med, Zhengzhou, Peoples R China
[7] Minist Educ, Engn Res Ctr Pharmaceut Chinese Mat Med & New Drug, Beijing, Peoples R China
来源
FRONTIERS IN CHEMISTRY | 2024年 / 11卷
基金
中国国家自然科学基金;
关键词
Bletilla striata; data fusion; electronic senses; feature extraction; PLS-DA; GC-IMS; authenticity; species; POLYSACCHARIDE;
D O I
10.3389/fchem.2023.1342311
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Introduction: We here describe a new method for distinguishing authentic Bletilla striata from similar decoctions (namely, Gastrodia elata, Polygonatum odoratum, and Bletilla ochracea schltr).Methods: Preliminary identification and analysis of four types of decoction pieces were conducted following the Chinese Pharmacopoeia and local standards. Intelligent sensory data were then collected using an electronic nose, an electronic tongue, and an electronic eye, and chromatography data were obtained via high-performance liquid chromatography (HPLC). Partial least squares discriminant analysis (PLS-DA), support vector machines (SVM), and back propagation neural network (BP-NN) models were built using each set of single-source data for authenticity identification (binary classification of B. striata vs. other samples) and for species determination (multi-class sample identification). Features were extracted from all datasets using an unsupervised approach [principal component analysis (PCA)] and a supervised approach (PLS-DA). Mid-level data fusion was then used to combine features from the four datasets and the effects of feature extraction methods on model performance were compared.Results and Discussion: Gas chromatography-ion mobility spectrometry (GC-IMS) showed significant differences in the types and abundances of volatile organic compounds between the four sample types. In authenticity determination, the PLS-DA and SVM models based on fused latent variables (LVs) performed the best, with 100% accuracy in both the calibration and validation sets. In species identification, the PLS-DA model built with fused principal components (PCs) or fused LVs had the best performance, with 100% accuracy in the calibration set and just one misclassification in the validation set. In the PLS-DA and SVM authenticity identification models, fused LVs performed better than fused PCs. Model analysis was used to identify PCs that strongly contributed to accurate sample classification, and a PC factor loading matrix was used to assess the correlation between PCs and the original variables. This study serves as a reference for future efforts to accurately evaluate the quality of Chinese medicine decoction pieces, promoting medicinal formulation safety.
引用
收藏
页数:20
相关论文
共 40 条
[1]   Classification tools in chemistry. Part 1: linear models. PLS-DA [J].
Ballabio, Davide ;
Consonni, Viviana .
ANALYTICAL METHODS, 2013, 5 (16) :3790-3798
[2]   Development of a methodology to analyze leaves from Prunus dulcis varieties using near infrared spectroscopy [J].
Borraz-Martinez, Sergio ;
Boque, Ricard ;
Simo, Joan ;
Mestre, Mariangela ;
Gras, Anna .
TALANTA, 2019, 204 :320-328
[3]   Complete chloroplast genome sequence of Bletilla striata (Thunb.) Reichb. f., a Chinese folk medicinal plant [J].
Cai, Ziping ;
Wang, Hongxia ;
Wang, Guoxiang .
MITOCHONDRIAL DNA PART B-RESOURCES, 2020, 5 (03) :2239-2240
[4]   Problem formulations and solvers in linear SVM: a review [J].
Chauhan, Vinod Kumar ;
Dahiya, Kalpana ;
Sharma, Anuj .
ARTIFICIAL INTELLIGENCE REVIEW, 2019, 52 (02) :803-855
[5]   Preparation and evaluation of novel hydrogel based on polysaccharide isolated from Bletilla striata [J].
Cui, Xiuming ;
Zhang, Xingying ;
Yang, Ye ;
Wang, Chengxiao ;
Zhang, Chaoyu ;
Peng, Gang .
PHARMACEUTICAL DEVELOPMENT AND TECHNOLOGY, 2017, 22 (08) :1001-1011
[6]   Spongy bilayer dressing composed of chitosan-Ag nanoparticles and chitosan-Bletilla striata polysaccharide for wound healing applications [J].
Ding, Lang ;
Shan, Xindi ;
Zhao, Xiaoliang ;
Zha, Hualian ;
Chen, Xiaoyu ;
Wang, Jianjun ;
Cai, Chao ;
Wang, Xiaojiang ;
Li, Guoyun ;
Hao, Jiejie ;
Yu, Guangli .
CARBOHYDRATE POLYMERS, 2017, 157 :1538-1547
[7]  
Feng X S, 1995, J Tongji Med Univ, V15, P45
[8]  
Gao H. S., 2008, 2008 4 INT C WIRELES, P1, DOI [10.1109/WiCom.2008.1110, DOI 10.1109/WICOM.2008.1110]
[9]   Authenticity and species identification of Fritillariae cirrhosae: a data fusion method combining electronic nose, electronic tongue, electronic eye and near infrared spectroscopy [J].
Gui, Xin-Jing ;
Li, Han ;
Ma, Rui ;
Tian, Liang-Yu ;
Hou, Fu-Guo ;
Li, Hai-Yang ;
Fan, Xue-Hua ;
Wang, Yan-Li ;
Yao, Jing ;
Shi, Jun-Han ;
Zhang, Lu ;
Li, Xue-Lin ;
Liu, Rui-Xin .
FRONTIERS IN CHEMISTRY, 2023, 11
[10]   Development of a variety and quality evaluation method for Amomi fructus using GC, electronic tongue, and electronic nose [J].
Hou, Fuguo ;
Fan, Xuehua ;
Gui, Xinjing ;
Li, Han ;
Li, Haiyang ;
Wang, Yanli ;
Shi, Junhan ;
Zhang, Lu ;
Yao, Jing ;
Li, Xuelin ;
Liu, Ruixin .
FRONTIERS IN CHEMISTRY, 2023, 11