Lines of research

LC-MS and GC-MS metabolomics data processing and metabolite identification

1. The development of new technologies, methods, and applications in mass spectrometry (MS) and nuclear magnetic resonance (NMR)-based metabolomics, including:

(i) conceptual and computational new tools and workflows for de novo identification and characterization of known and unknown metabolites based on tandem MS data.

(ii) integrated strategies for compound spectra extraction and annotation of liquid chromatography/mass spectrometry (LC-MS) and gas chromatography/mass spectrometry (GC-MS and GCxGC-MS), turning large measurement datasets into useful biological and clinical information.

(iii) new methods and bioinformatic tools for stable isotope labeling (e.g., 13C, 15N) analysis based on LC-MS, GC-MS and NMR spectroscopy. These methodologies are aimed at studying cell metabolism in a dynamic way.

2. The study of fundamental biological processes in health and disease using metabolomics in combination with other omics platforms. From a clinical and biomedical point of view, the main objective is to establish metabolomics as a tool for clinical diagnostics, elucidation of new therapeutic targets and unknown mechanisms of disease.