Optimized data processing algorithms for biomarker discovery by LC-MS

PhD ceremony: Ms. C. Christin, 11.00 uur, Academiegebouw, Broerstraat 5, Groningen

Title: Optimized data processing algorithms for biomarker discovery by LC-MS

Promotor(s): prof. R.P.H. Bischoff, prof. A.G.J. van der Zee, prof. A.K. Smilde

Faculty: Medical Sciences

Medical and biomarker research increasingly utilizes Liquid Chromatography - Mass Spectrometry (LC-MS) techniques. This thesis discusses an optimization strategy for aligning complex LC-MS chromatograms. It explains the combination of time alignment algorithms (Correlation Optimized Warping, Parametric Time Warping and Dynamic Time Warping) with a Component Detection Algorithm to overcome limitations of the original methods that use Total Ion Chromatograms when applied to highly complex data. Furthermore, a study is described in the field of biomarker discovery where improvements in instrument resolution coupled with low sample numbers led to a discrepancy between the number of measurements and the number of measured variables. A comparative study of various commonly used feature selection for tackling this problem is presented.