ABSTRACT
Objective: To study the chemical differences between natural and synthetic of Bambusae Concretio Silicea by ultra-high performance liquid chromatography-quadrupole tandem time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Methods: The qualitative analysis of chemical composition was made combined online database and secondary fragmentation cleavage rules, and difference analysis was carried out by the Enhance Peak Find function of PeakView software. Then the converted data was imported into SIMCA-P software to establish an OPLS-DA statistical model and differential secondary metabolites were analyzed. Results: The constituents of Bambusae Concretio Silicea mainly included amino acids, organic acids, alkaloids, glycosides, etc. Among them, 11 components were known, while other 43 compounds were identified for the first time. A total of 14 distinct components, including 2,5-dimethyl-1,3-oxazole-4-carboxylic acid and sucrose, and 12 biomarkers, including 4-(heptyloxy)phenyl-4-(hexyloxy)benzoate, and N-lauryldiethanolamine were identified. Conclusion: This study reveals that the chemical differences between the two herbs are obvious, while betaine and sucrose can be used as the distinguishing indicators. And it provides new ideas and data references for the quality control and clarification of medicinal substances.
ABSTRACT
Objective:The chemical differences of Lycii Fructus samples from Qinghai, Ningxia, Gansu, Xinjiang and Inner Mongolia provinces were compared based on proton nuclear magnetic resonance (1H-NMR) plant metabolomics. Method:A total of 97 Lycii Fructus samples from five provinces were collected, including 61 samples in Qinghai, and extracted by 50% methanol for detecting. 1H-NMR spectra were obtained and compared by multivariate statistical analysis for investigating the chemical differences of samples from Qinghai and other production areas. And the content of Lycii Fructus polysaccharides in all samples was determined with the wavelength of 490 nm (calculated by anhydrous glucose). Result:A total of 32 chemical components were detected in the Lycii Fructus extract by 1H-NMR. The multivariate statistical analysis revealed that there was no significant difference among the samples from five provinces. The difference between Lycii Fructus from Qinghai and Ningxia, as well as the samples among the six regions of Qinghai province were relatively small. The similarity values of the majority of samples were >0.85. Univariate analysis showed that no significant difference was observed for the most metabolites in Lycii Fructus collected from five provinces, except for sucrose, glucose, proline and so on. There was no significant difference in the content of Lycii Fructus polysaccharides between Qinghai and other provinces. And the correlation coefficient between the content of Lycii Fructus polysaccharides and the small molecular compounds identified by 1H-NMR was -0.2-0.4. Conclusion:In this study, chemical characteristics of Lycii Fructus in Qinghai province are analyzed from the holistic view by 1H-NMR plant metabolomics, in combination of polysaccharide determination, and the results show that there is no significant difference between samples from Qinghai and other four provinces. The quality evaluation method based on 1H-NMR established in this study can provide scientific basis for improving quality control level and selecting planting areas of Lycii Fructus.
ABSTRACT
Traditional Chinese medicinal materials (TCMMs) are the material basis of the traditional Chinese medicines (TCM) in the treatment of disease, and the inherent quality of the TCMMs are of crucial importance for the efficacy and safety of TCM. Most of the TCMMs are originated from the plants with complex chemical compositions, and the chemical diversity is inevitable. How to clarify the relationship between the chemical identity and the biological activity is the key point for quality control of TCMMs in the establishment of the quality standards. The components with great impact on the biological activities should be used as index compounds in the quality evaluation. In this study, based on the results in our previous studies, a research idea on the evaluation of quality difference of TCMMs is proposed. Its application and existing problems are also discussed.