Data fusion in metabolomic cancer diagnostics.

We have recently shown that fluorescence spectroscopy of plasma samples has promising abilities regarding early detection of colorectal cancer. In the present paper, these results were further developed by combining fluorescence with the biomarkers, CEA and TIMP-1 and traditional metabolomic measurements in the form of (1)H NMR spectroscopy. The results indicate that using an extensive profile established by combining such measurements together with the biomarkers is better than using single markers.

Application of rotated PCA models to facilitate interpretation of metabolite profiles: commercial preparations of St. John's Wort.

This paper describes the application of orthogonal rotation of models based on principal component analysis (PCA) of (1)H nuclear magnetic resonance (NMR) spectra and high-performance liquid chromatography-photo diode array detection (HPLC-PDA) profiles of natural product mixtures using extracts of antidepressive pharmaceutical preparations of St. John's wort as an example. (1)H-NMR spectroscopy of complex mixtures is often used in metabolomic, metabonomic and metabolite profiling studies for assessment of sample composition.