Core themes
Biostatistics
Global analysis of time resolved data from different compartments and treatments
The goal of this project is to develop metabolomics data analysis tools to be able to integrate metabolic profiles originating from different body fluids and organs. The combined analysis of profiles from different body fluids and organs will result in better descriptions of the biological process studied, or enhance the discovery of biomarkers, especially when this analysis is coupled with pharmacokinetic or physiological information.
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Quantitative Profiling
Preprocessing of hyphenated analytical data
The main goal of this project is to process raw chromatography mass spectroscopic data such that it can be used for statistics, interpretation and quality control in analytical chemistry. To this end, so called deconvolution algorithms will be developed that allow for automatic generation of peak tables and mass spectral data from large sets of chromatographic data.
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Metabolite Identification
Systematic metabolite identification strategies using LC-SPE-NMR-MSn
This project aims to establish novel methods and protocols for the unambiguous identification of unknown metabolites by NMR and high resolution LC-MSn., starting with plant-derived semi-polar and apolar compounds. These classes of compounds comprise economically and nutritionally important metabolites including health-related phytonutrients present in fruits, vegetables and products derived thereof. For differently accumulating semi-polar and apolar LC-MS or NMR features, identified in plants and human body fluids within associated projects, identification techniques will be developed based on high resolution LC-MSn trees and LCxLC-SPE-NMR-MS. As for many metabolites only limited amounts will be available, we will focus on lowering the sensitivity limits for NMR to concentrations of 100 or, preferably, 10 nanograms of purified compound, for both plant and human body fluid samples. The LC-MSn and NMR data generated will be used for algorithm development and tools for automated metabolite detection.
For more Metabolite Identification project descriptions click here.