Signal pattern plot: a simple tool for time-dependent metabolomics studies by 1H NMR spectroscopy
| Autor: | Adelis Jilani, René Bachmann, Markus Fischer, Christina Lang, Bernward Bisping, Dominic Bahmann, Hasnaa Ibrahim, Thomas Hackl |
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| Rok vydání: | 2019 |
| Předmět: |
1h nmr spectroscopy
010401 analytical chemistry 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Biochemistry Signal Sample (graphics) 0104 chemical sciences Analytical Chemistry Chemometrics Metabolomics Simple (abstract algebra) Metabolome Plot (narrative) 0210 nano-technology Biological system Mathematics |
| Zdroj: | Analytical and Bioanalytical Chemistry. 411:6857-6866 |
| ISSN: | 1618-2650 1618-2642 |
| DOI: | 10.1007/s00216-019-02055-y |
| Popis: | We show an alternative way to visualize time course NMR data without the application of multivariate data analysis, based on the temporal change of the metabolome of hazelnuts after mold infestation. Fresh hazelnuts were inoculated with eight different natural mold species and the growth was studied over a period of 14 days. The data were plotted in a color-coded scheme showing metabolic changes as a function of chemical shift, which we named signal pattern plot. This plot graphically displays alteration (trend) of a respected signal over time and allows visual interpretation in a simple manner. Changes are compared with a reference sample stored under identical conditions as the infected nuts. The plot allows, at a glance, the recognition of individual landmarks specific to a sample group as well as common features of the spectra. Each sample reveals an individual signal pattern. The plot facilitates the recognition of signals that belong to biological relevant metabolites. Betaine and five signals were identified that specifically changed upon mold infestation. |
| Databáze: | OpenAIRE |
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