机构:[1]Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China[2]The Second College of Clinical Medicine, Guangzhou University of Chinese Medicine, Guangzhou 510120, P. R. China广东省中医院[3]School of Life Science, University of Bradford, Bradford, West Yorkshire, BD71DP, UK.[4]State Key Laboratory for Quality Research in Chinese Medicine, Macau University of Science and Technology, Avenida Wai Long, Taipa, Macau, P. R. China[5]Shandong University of Traditional Chinese Medicine, Jinan, P. R. China
A urinary metabolomics method based on ultra-performance liquid chromatography coupled with quadrupole/time-of-flight mass spectrometry (UPLC-QTOF/MS) was employed to investigate the pathogenesis and therapeutic effects of a Baixiangdan capsule on rats undergoing electric-induced stress for five days. Multivariate analysis techniques, such as principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA), were applied to observe the temporal changes in the metabolic state of the electric-stressed rats visually, as well as the recovering tendency of the rats treated with the Baixiangdan capsule. Artificial intelligence technology (artificial neural networks and neurofuzzy logic) was used to identify potential biomarkers, and the results showed a high overlap with the PLS-DA model. A total of 14 potential biomarkers representing the major cause-effect relationships between the variations in the endogenous metabolites and the dynamic pathological processes associated with the stress induced by the electric stimulation were identified, including amino acid metabolites, such as 2-aminoadipic acid, hippuric acid, spermine, 4-hydroxyglutamate and L-phenylalanine, in addition to prostaglandin F3a and melatonin. The results indicated that the pathways corresponding to L-phenylalanine, tyrosine, tryptophan, arginine, proline metabolism, pantothenic acid, and coenzyme A synthesis were disturbed in the electric-stressed rats, and that the application of the Baixiangdan capsule may regulate the aforementioned metabolic pathways back to their initial states. The application of artificial intelligence technologies provided powerful and promising tools to model complex metabolomic data and to discover hidden knowledge regarding the potential biomarkers associated with the development of disease, which are also suitable for other complex biological data sets.
基金:
This work was sponsored by the International Cooperation
Projects of the Ministry of Science and Technology (MOST) in
China (No. 2010DFA32420) and the National Natural Science
Foundation of China (No. 81130066).
第一作者机构:[1]Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China
共同第一作者:
通讯作者:
通讯机构:[1]Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China[4]State Key Laboratory for Quality Research in Chinese Medicine, Macau University of Science and Technology, Avenida Wai Long, Taipa, Macau, P. R. China
推荐引用方式(GB/T 7714):
Xie Yuan-yuan,Li Li,Shao Qun,et al.Urinary metabolomics study on an induced-stress rat model using UPLC-QTOF/MS[J].RSC ADVANCES.2015,5(92):75111-75120.doi:10.1039/c5ra10992b.
APA:
Xie, Yuan-yuan,Li, Li,Shao, Qun,Wang, Yi-ming,Liang, Qiong-Lin...&Luo, Guo-An.(2015).Urinary metabolomics study on an induced-stress rat model using UPLC-QTOF/MS.RSC ADVANCES,5,(92)
MLA:
Xie, Yuan-yuan,et al."Urinary metabolomics study on an induced-stress rat model using UPLC-QTOF/MS".RSC ADVANCES 5..92(2015):75111-75120