Data · dataset · 2020
PSYCHE - a valuable experiment in plant NMR-metabolomics
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.22000/338
1H-NMR is a very reproducible spectroscopic method and, therefore, a powerful tool for metabolomic analysis of biological samples.
Description
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.
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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.
Links
Where it is published
- DOI doi.org/10.22000/338 ↗
DOI / persistent id · from radar service eu de
Catalogue records · 1
- OAI-PMH record radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=oai_dc&identifier… ↗
metadata API · from radar service eu de
Topics
- From keywords
- Chemistry · Chemistry · Earth & Environmental Science · Earth & Environmental Science
- Inferred from text
- Analytical chemistry 74%
Provenance · 2 source records, 10 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.22000/338 | 10 d ago | JSON v1 |
| RADAR4Memory | 10.22000/338 | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].anzsrc:group:3401 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (74%) |
| concepts[field].local:field:chemistry | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| description | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/description |
| license | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/rights |
| publication_date | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| title | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/title |