PSYCHE-A Valuable Experiment in Plant NMR-Metabolomics
| Autor: | Paride Rizzo, Katrin Franke, Caroline Zab, Ludger A. Wessjohann, Andrea Porzel, Pauline Stark |
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| Rok vydání: | 2020 |
| Předmět: |
PSYCHE
Pharmaceutical Science 01 natural sciences Spectral line Bin Homonuclear molecule Analytical Chemistry lcsh:QD241-441 03 medical and health sciences lcsh:Organic chemistry Drug Discovery Linear regression Pure Shift NMR Chirp Metabolomics Physical and Theoretical Chemistry Spectral resolution Representation (mathematics) Nuclear Magnetic Resonance Biomolecular 030304 developmental biology Physics 0303 health sciences 010405 organic chemistry Communication Organic Chemistry Pulse sequence Hypericum 0104 chemical sciences Chemistry (miscellaneous) Metabolome Molecular Medicine Biological system |
| Zdroj: | Molecules Molecules, Vol 25, Iss 5125, p 5125 (2020) |
| ISSN: | 1420-3049 |
| Popis: | 1H-NMR is a very reproducible spectroscopic method and, therefore, a powerful tool for the metabolomic analysis of biological samples. However, due to the high complexity of natural samples, such as plant extracts, the evaluation of spectra is difficult because of signal overlap. The new NMR “Pure Shift” methods improve spectral resolution by suppressing homonuclear coupling and turning multiplets into singlets. The PSYCHE (Pure Shift yielded by Chirp excitation) and the Zangger–Sterk pulse sequence were tested. The parameters of the more suitable PSYCHE experiment were optimized, and the extracts of 21 Hypericum species were measured. Different evaluation criteria were used to compare the suitability of the PSYCHE experiment with conventional 1H-NMR. The relationship between the integral of a signal and the related bin value established by linear regression demonstrates an equal representation of the integrals in binned PSYCHE spectra compared to conventional 1H-NMR. Using multivariate data analysis based on both techniques reveals comparable results. The obtained data demonstrate that Pure Shift spectra can support the evaluation of conventional 1H-NMR experiments. |
| Databáze: | OpenAIRE |
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