PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics
<sup>1</sup>H-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 overl...
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| Format: | Article |
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MDPI AG
2020-11-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/21/5125 |
| _version_ | 1797548839181221888 |
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| author | Pauline Stark Caroline Zab Andrea Porzel Katrin Franke Paride Rizzo Ludger A. Wessjohann |
| author_facet | Pauline Stark Caroline Zab Andrea Porzel Katrin Franke Paride Rizzo Ludger A. Wessjohann |
| author_sort | Pauline Stark |
| collection | DOAJ |
| description | <sup>1</sup>H-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 <i>Hypericum</i> species were measured. Different evaluation criteria were used to compare the suitability of the PSYCHE experiment with conventional <sup>1</sup>H-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 <sup>1</sup>H-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 <sup>1</sup>H-NMR experiments. |
| first_indexed | 2024-03-10T15:06:28Z |
| format | Article |
| id | doaj.art-c9a4a04783de454a9306810deb7f5441 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T15:06:28Z |
| publishDate | 2020-11-01 |
| publisher | MDPI AG |
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| series | Molecules |
| spelling | doaj.art-c9a4a04783de454a9306810deb7f54412023-11-20T19:46:42ZengMDPI AGMolecules1420-30492020-11-012521512510.3390/molecules25215125PSYCHE—A Valuable Experiment in Plant NMR-MetabolomicsPauline Stark0Caroline Zab1Andrea Porzel2Katrin Franke3Paride Rizzo4Ludger A. Wessjohann5Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120 Halle/Saale, GermanyDepartment of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120 Halle/Saale, GermanyDepartment of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120 Halle/Saale, GermanyDepartment of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120 Halle/Saale, GermanyDepartment of Molecular Genetics, Leibniz Institute of Plant Genetics and Crop Plant Research, Corrensstraße 3, 06466 Seeland, GermanyDepartment of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120 Halle/Saale, Germany<sup>1</sup>H-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 <i>Hypericum</i> species were measured. Different evaluation criteria were used to compare the suitability of the PSYCHE experiment with conventional <sup>1</sup>H-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 <sup>1</sup>H-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 <sup>1</sup>H-NMR experiments.https://www.mdpi.com/1420-3049/25/21/5125Pure Shift NMRPSYCHE<i>Hypericum</i>metabolomics |
| spellingShingle | Pauline Stark Caroline Zab Andrea Porzel Katrin Franke Paride Rizzo Ludger A. Wessjohann PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics Molecules Pure Shift NMR PSYCHE <i>Hypericum</i> metabolomics |
| title | PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics |
| title_full | PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics |
| title_fullStr | PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics |
| title_full_unstemmed | PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics |
| title_short | PSYCHE—A Valuable Experiment in Plant NMR-Metabolomics |
| title_sort | psyche a valuable experiment in plant nmr metabolomics |
| topic | Pure Shift NMR PSYCHE <i>Hypericum</i> metabolomics |
| url | https://www.mdpi.com/1420-3049/25/21/5125 |
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