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Updated: Feb 2, 2026
11:02
Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics
Published on: November 29, 2024
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KIMBLE: A versatile visual NMR metabolomics workbench in KNIME.
Aswin Verhoeven1, Martin Giera1, Oleg A Mayboroda1
1Center for Proteomics and Metabolomics, Leiden University Medical Center, Albinusdreef 2, 2333ZA, Leiden, The Netherlands.
Analytica Chimica Acta
|November 17, 2018
Summary
Reproducibility in scientific research is improved by KIMBLE, a new platform for NMR metabolomics data processing and analysis. This KNIME-based environment enhances data interpretation and reduces analytical variance for biomedical studies.
Area of Science:
- Biomedical Sciences
- Metabolomics
- Bioinformatics
Background:
- Reproducibility is a critical challenge in biomedical research, particularly concerning pre-analytical variance in metabolomics.
- Standardized platforms are needed for robust processing and analysis of Nuclear Magnetic Resonance (NMR) metabolomics data.
Purpose of the Study:
- To introduce KIMBLE (KNIME-based Integrated MetaBoLomics Environment), a novel, integrated platform for NMR metabolomics data.
- To provide a self-documenting workflow for transforming raw NMR data into metabolic insights, addressing reproducibility concerns.
Main Methods:
- Development of an elaborate NMR metabolomics workflow within the KNIME workflow management system.
- Integration of targeted and untargeted metabolomics processing, metabolite quantification, statistical analysis, and visualization tools.
- Packaging the KIMBLE workflow, KNIME software, and libraries in a VirtualBox virtual machine for ease of use.
Main Results:
- KIMBLE offers a comprehensive solution for processing and analyzing NMR metabolomics data, enhancing reproducibility.
- The platform includes parameters for quantifying specific metabolites and provides statistical and visualization tools.
- A sports-induced ketosis dataset is included for user familiarization and platform adaptation.
Conclusions:
- KIMBLE provides a user-friendly, adaptable, and self-documenting environment for NMR metabolomics data analysis.
- The platform facilitates improved reproducibility in biomedical research by standardizing data processing and analysis.
- KIMBLE empowers researchers, including non-experts, to gain metabolic insights from NMR data effectively.
Keywords:
BiofluidMetabolite quantificationMetabolomicsNuclear magnetic resonanceVirtual machineWorkflowMore Related Videos
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