Quantitative Metabolic Profiling of Human Serum by Nonlinear Sampling and Forward Maximum Entropy Reconstruction of Two-dimensional 1H-13C HSQC

ABSTRACT

This work developed a 2-dimensional (2D) ¹H-¹³C heteronuclear single quantum coherence (HSQC) approach to directly quantify metabolites in chemical mixtures without using a calibration curve. Using non-linear sampling (NLS) and forward maximum (FM) entropy reconstruction, this method is fast enough to be used for routine quantitative metabonomics. Here, the use of this method to analyse complex human serum samples was demonstrated. This method resulted in 24-fold reduction in the nuclear magnetic resonance (NMR) data collection time compared to previously existing methods.