PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics
Abstract
:1. Introduction
2. Results and Discussion
2.1. Comparison of Pure Shift Methods
2.2. Parameter Optimization of the PSYCHE Experiment
2.3. Suitability of PSYCHE and 1H-NMR for Metabolomics Studies
2.3.1. Optimization of Bin Size
2.3.2. Multivariate Data Analysis of Different Hypericum Species
3. Materials and Methods
3.1. Plant Material and Samples
3.2. Sample Preparation
3.3. NMR Data Acquisition
3.4. NMR Data Processing and Data Analysis
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Compound | Assignment | δ (ppm) Multiplicity (J) | R2 of Experiment | |
---|---|---|---|---|
1Hconv | PSYCHE | |||
Chlorogenic acid (1) | H-8′ | 6.31 d (15.8 Hz) | 0.6553 | 0.8485 |
Chlorogenic acid (1) | H-2′ | 7.05 d (2.1 Hz) | 0.7865 | 0.5748 |
Rutin (2) | H-6′′′ | 1.12 d (6.2 Hz) | 0.8176 | 0.7331 |
Hyperoside (3) | H-2′ | 7.83 (d 2.2 Hz) | 0.9288 | 0.8810 |
Epicatechin/Catechin (4) | H-6 | 5.94 d (2.4 Hz) | 0.9740 | 0.7974 |
Epicatechin/Catechin (4) | H-2′ | 6.97 d (1.9 Hz) | 0.8104 | 0.7525 |
Hyperforin (5) | H3-12 | 1.08 d (6.5 Hz) | 0.8842 | 0.8380 |
Sucrose (6) | H-3′ | 4.09 d (8.2 Hz) | 0.9945 | 0.9080 |
Shikimic acid (7) | H-4 | 4.36 m (ν1/2 4.7 Hz) | 0.8412 | 0.8706 |
Sample Availability: Samples of the compounds are not available from the authors. | |
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Stark, P.; Zab, C.; Porzel, A.; Franke, K.; Rizzo, P.; Wessjohann, L.A. PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics. Molecules 2020, 25, 5125. https://doi.org/10.3390/molecules25215125
Stark P, Zab C, Porzel A, Franke K, Rizzo P, Wessjohann LA. PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics. Molecules. 2020; 25(21):5125. https://doi.org/10.3390/molecules25215125
Chicago/Turabian StyleStark, Pauline, Caroline Zab, Andrea Porzel, Katrin Franke, Paride Rizzo, and Ludger A. Wessjohann. 2020. "PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics" Molecules 25, no. 21: 5125. https://doi.org/10.3390/molecules25215125