Incorporation of metabolite prior knowledge for data analysis: biochemicalimplications of dynamic P-31 NMR ex vivo pig liver studies

A semi-automated, metabolite prior-knowledge-based, lineshape fitting analy sis has been developed to assess the dynamic biochemical changes found in e x vivo P-31 NMR pig liver preservation studies. Due to the inherent experim ental limitations of the ex vivo study and the complexity of the composite phosphorus resonances, metabolite information obtained in vitro was incorpo rated into the ex vivo analysis. This approach has allowed complete metabol ite analysis (phosphomonoesters, inorganic phosphate, phosphodiesters and n ucleotide triphosphates) in over 2000 spectra in a fraction of the time com pared with more conventional analysis methods. The developed analysis will enable complete and rapid assessment of the biochemical changes in ongoing cold preservation studies of the pig liver which will result in thousands o f ex vivo P-31 NMR spectra. It is also envisaged that comparative studies o n human donor livers will be carried out, in which this type of analysis wo uld be the method of choice. Moreover, this kind of analysis approach could be advantageous in many complex in vivo NMR spectroscopy applications. Cop yright (C) 1999 John Wiley & Sons, Ltd.