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The composition of biofluids carries invaluable information about the biochemical status of a living organism. Cerebrospinal
Fluid (CSF) is the biofluid, which is in closest interaction with the Central Nervous System (CNS). It is therefore the
biofluid that best mirrors the biochemical status and processes in brain and CNS. The chemical composition of CSF may
thus provide insights about metabolic pathways in the CNS. The comprehensive analysis of CSF may define the fingerprint of
neurological diseases such as the Multiple Sclerosis (MScl).
Our objective is to detect molecular biomarkers for MScl in CSF. For this we used
H Nuclear Magnetic Resonance (
spectroscopy and Gas Chromatography coupled with Mass Spectrometry (GC-MS) in combination with chemometric analysis.
The research results we will present are obtained from a clinical study on MScl. We examined the
human CSF metabolomics
profile of MScl group. It was then compared to group representing the early stage of MScl, i.e. clinically isolated syndrome of
demyelination (CIS). This human dataset is very complex, because the biological variations and environmental variations are
comparable in size or larger than the variance of interest. The challenge is then to still extract the relevant variances, which
requires special, more sophisticated approaches. For this purpose we have applied a kernel-PLS-DA for fused NMR and GC-MS
datasets in kernel space. In addition we implemented variable selection procedure which is based on SVM Recursive Feature
Elimination for nonlinear kernel function. Using this approach we obtained discrimination between MScl group and CIS
group with high prediction accuracy for class memberships. Variables importance in kernel space was achieved by applying the
pseudo-samples concept, recently introduced in our group.
Agnieszka Smolinska completed her Msc in Chemistry in Poland (Silesian University in Katowice). Currently she is a PhD student in The Netherlands
(Radboud University in Nijmegen). She is investigating metabolic profiles of autoimmune disease, especially Multiple Sclerosis.
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