Signal pattern plot: a simple tool for time-dependent metabolomics studies by 1H NMR spectroscopy.
René Bachmann1,2, Adelis Jilani1, Hasnaa Ibrahim3
1Institute of Organic Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146, Hamburg, Germany.
Analytical and Bioanalytical Chemistry
|August 18, 2019
Summary
A new signal pattern plot visualizes time-course NMR data for mold-infested hazelnuts. This method simplifies identifying metabolic changes and relevant metabolites without complex analysis.
Area of Science:
- Metabolomics
- Nuclear Magnetic Resonance (NMR) spectroscopy
- Food science
Background:
- Mold infestation significantly impacts food quality and safety.
- Analyzing metabolic changes in real-time is crucial for understanding food spoilage.
- Traditional methods for analyzing time-course metabolomic data can be complex.
Purpose of the Study:
- To develop a novel visualization technique for time-course NMR data.
- To analyze the temporal metabolic changes in hazelnuts during mold infestation.
- To identify specific metabolites affected by mold growth.
Main Methods:
- Fresh hazelnuts were inoculated with eight different mold species.
- Time-course NMR data were collected over 14 days.
- A color-coded 'signal pattern plot' was used to visualize metabolic changes against chemical shift and time.
Main Results:
- The signal pattern plot allowed for simple visual interpretation of metabolic alterations over time.
- Individual and common spectral features specific to mold-infested samples were recognized.
- Betaine and five other signals were identified as specifically changing due to mold infestation.
Conclusions:
- The signal pattern plot offers an effective, non-multivariate approach for visualizing time-course NMR data.
- This method aids in the straightforward identification of biologically relevant metabolites affected by mold.
- The technique provides insights into the temporal dynamics of hazelnut metabolome changes post-infestation.
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