Chemical and Pharmaceutical Bulletin
Online ISSN : 1347-5223
Print ISSN : 0009-2363
ISSN-L : 0009-2363

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Metabolic discrimination of different Rhodiola species using 1H-NMR and GEP combinational chemometrics
Xuanhao LiXiaobo WangDaoxin HongShangyu ZengJinsong SuGang Fan Yi Zhang
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JOURNAL FREE ACCESS Advance online publication

Article ID: c18-00509

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Abstract

Rhodiola is widely consumed in traditional folk medicine and nutraceuticals. To establish a procedure for the hydrogen nuclear magnetic resonance (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, high-performance liquid chromatography (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+d236d128×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.

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© 2018 The Pharmaceutical Society of Japan
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