Metabolic profiling of Rhodiola rosea rhizomes by 1H NMR spectroscopy
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Metabolic profiling of Rhodiola rosea rhizomes by 1H NMR spectroscopy. / Ioset, Karine Ndjoko; Nyberg, Nils T; Van Diermen, Daphne; Malnoe, Pia; Hostettmann, Kurt; Shikov, Alexander N; Jaroszewski, Jerzy W.
In: Phytochemical Analysis, Vol. 22, No. 2, 03.2011, p. 158-165.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Metabolic profiling of Rhodiola rosea rhizomes by 1H NMR spectroscopy
AU - Ioset, Karine Ndjoko
AU - Nyberg, Nils T
AU - Van Diermen, Daphne
AU - Malnoe, Pia
AU - Hostettmann, Kurt
AU - Shikov, Alexander N
AU - Jaroszewski, Jerzy W
N1 - Keywords: metabolomics; NMR spectroscopy; herbal medicine; metabolic profiling; multivariate analysis; high-resolution loadings
PY - 2011/3
Y1 - 2011/3
N2 - Introduction - Rhodiola rosea is a broadly used medicinal plant with largely unexplored natural variability in secondary metabolite levels.Objective - The aim of this work was to develop a non-target procedure for (1)H NMR spectroscopic fingerprinting of rhizome extracts for pattern recognition analysis and identification of secondary metabolites responsible for differences in sample composition. To achieve this, plants from three different geographic areas (Swiss Alps, Finland, and Altai region in Siberia) were investigated.Results - A sample preparation procedure was developed in order to remove polymeric polyphenols as the (1)H NMR analysis of low-molecular-weight metabolites was hampered by the presence of tannins. Principal component analysis disclosed tight clustering of samples according to population. PCA models based on the aromatic region of the spectra showed that the first two components reflected changes in the content of salidroside and rosavin, respectively, the rosavin content being negatively correlated to that of rhodiocyanoside A and minor aromatics. Score plots and non-parametric variance tests demonstrated population-dependent changes according to harvest time. Data consistency was assessed using score plots and box-and-whisker graphs. In addition, a procedure for presenting loadings of PCA models based on bucketed data as high-resolution plots, which are reminiscent of real (1)H NMR spectra and help to identify latent biomarkers, is presented.Conclusion - This study demonstrated the usefulness of the established procedure for multivariate non-target (1)H NMR metabolic profiling of Rhodiola rosea. Copyright © 2010 John Wiley & Sons, Ltd.
AB - Introduction - Rhodiola rosea is a broadly used medicinal plant with largely unexplored natural variability in secondary metabolite levels.Objective - The aim of this work was to develop a non-target procedure for (1)H NMR spectroscopic fingerprinting of rhizome extracts for pattern recognition analysis and identification of secondary metabolites responsible for differences in sample composition. To achieve this, plants from three different geographic areas (Swiss Alps, Finland, and Altai region in Siberia) were investigated.Results - A sample preparation procedure was developed in order to remove polymeric polyphenols as the (1)H NMR analysis of low-molecular-weight metabolites was hampered by the presence of tannins. Principal component analysis disclosed tight clustering of samples according to population. PCA models based on the aromatic region of the spectra showed that the first two components reflected changes in the content of salidroside and rosavin, respectively, the rosavin content being negatively correlated to that of rhodiocyanoside A and minor aromatics. Score plots and non-parametric variance tests demonstrated population-dependent changes according to harvest time. Data consistency was assessed using score plots and box-and-whisker graphs. In addition, a procedure for presenting loadings of PCA models based on bucketed data as high-resolution plots, which are reminiscent of real (1)H NMR spectra and help to identify latent biomarkers, is presented.Conclusion - This study demonstrated the usefulness of the established procedure for multivariate non-target (1)H NMR metabolic profiling of Rhodiola rosea. Copyright © 2010 John Wiley & Sons, Ltd.
KW - Former Faculty of Pharmaceutical Sciences
U2 - 10.1002/pca.1262
DO - 10.1002/pca.1262
M3 - Journal article
C2 - 20848394
VL - 22
SP - 158
EP - 165
JO - Phytochemical Analysis
JF - Phytochemical Analysis
SN - 0958-0344
IS - 2
ER -
ID: 22727811