Metabolic Discrimination of Different Rhodiola Species Using 1H-NMR and GEP Combinational Chemometrics
| Autor: | Yi Zhang, Dao-Xin Hong, Shangyu Zeng, Gang Fan, Xuanhao Li, Xiaobo Wang, Jin-Song Su |
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| Rok vydání: | 2019 |
| Předmět: |
Chromatography
biology 010405 organic chemistry Chemistry Salidroside General Chemistry General Medicine 010402 general chemistry biology.organism_classification 01 natural sciences High-performance liquid chromatography 0104 chemical sciences Chemometrics Tyrosol chemistry.chemical_compound Metabolomics Drug Discovery Rhodiola Caffeic acid Gallic acid |
| Zdroj: | Chemical and Pharmaceutical Bulletin. 67:81-87 |
| ISSN: | 1347-5223 0009-2363 |
| DOI: | 10.1248/cpb.c18-00509 |
| Popis: | Rhodiola is widely consumed in traditional folk medicine and nutraceuticals. To establish a procedure for the hydrogen (1H)-NMR spectroscopic fingerprinting of secondary metabolites from three different Rhodiola species, the variation among three Rhodiola species were studied using 1H-NMR metabolomics combined with multivariate data analysis. Gene expression programming (GEP) was used to generate a formula to distinguish Rhodiola crenulata from two other Rhodiola species. Finally, HPLC was used to demonstrate the results. Same metabolites were compared by quantitative 1H-NMR (qNMR). Three Rhodiola species were clearly discriminated by 1H-NMR fingerprinting involved 22 nuclear magnetic signals of chemical constituents. y = d166 × 2 + C1 + d56 + d236 - d128 × C2 can be used to distinguish R. crenulata from two other Rhodiola species by GEP. The gallic acid concentration in R. crenulata was significantly higher than in the other. Rhodiola species as was the level of salidroside. R. crenulata also exhibited substantially higher levels of α-glucose. The fatty acid level in Rhodiola kirilowii was lower than the other species. These findings demonstrated that 1H-NMR fingerprinting combined with principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), hierarchical cluster analysis (HCA) and GEP can be used to distinguish different Rhodiola species and these methods were applicable and effective approaches for metabolic analysis, species differentiation, and quality assessment. In addition, gallic acid, salidroside, α-D-glucose, glycine, alanine, caffeic acid and tyrosol and are the discriminators. |
| Databáze: | OpenAIRE |
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