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PhD ceremony mr. A. Jankevics: Extreme metabolomics. Developing a high-performance computational pipeline for high-resolution LC-MS data sets

When:Fr 27-09-2013 at 12:45

PhD ceremony: mr. A. Jankevics, 12.45 uur, Academiegebouw, Broerstraat 5, Groningen

Dissertation: Extreme metabolomics. Developing a high-performance computational pipeline for high-resolution LC-MS data sets

Promotor(s): prof. R. Breitling, prof. R.C. Jansen

Faculty: Mathematics and Natural Sciences

Metabolomics aims at understanding biology by comprehensive metabolite profiling (the simultaneous measurement of as many low molecular weight compounds as possible in a biological sample). A favourite method for this kind of profiling is Liquid Chromatography coupled to Mass Spectrometry (LC–MS).

The goal of the work described in this thesis was to develop open source software for the analysis of LC–MS metabolomics data. A highly modular design of the software allowed us not only to fine-tune the analytical components relevant for each specific study design, but also to share intermediate analysis results with the biologists and analytical chemists on the project in an intuitive way.

This new approach facilitated the communication between researchers with different backgrounds and resulted in the rapid discovery of bottlenecks in experimental design, bioanalytical methodology and data analysis.

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