Cristina Di Poto

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MOTIVATION Liquid chromatography-mass spectrometry (LC-MS) has been widely used for profiling expression levels of biomolecules in various '-omic' studies including proteomics, metabolomics and glycomics. Appropriate LC-MS data preprocessing steps are needed to detect true differences between biological groups. Retention time (RT) alignment, which is(More)
Gas chromatography coupled with mass spectrometry (GC-MS) is one of the technologies widely used for qualitative and quantitative analysis of small molecules. In particular, GC coupled to single quadrupole MS can be utilized for targeted analysis by selected ion monitoring (SIM). However, to our knowledge, there are no software tools specifically designed(More)
—In quantitative liquid chromatography-mass spec-trometry (LC-MS) experiments, variability assessment helps improve experimental design and detect true differences in ion abundance. A peak-level mixed effects model is considered to estimate the variability due to heterogeneity of the biological samples, inconsistency in sample preparation, and instrument(More)
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