Monte Carlo study of metabolite correlations originating from spectral overlap.

Monte Carlo simulations and a mathematical model of spectral fitting were used to study the correlations between metabolites with overlapping resonances. The dependence of the polarity and the magnitude of cross-correlation coefficients between overlapping metabolites on the spectral patterns of MRS signals was investigated. The results demonstrate the importance of quantifying metabolite correlations originating from spectral overlap as they may confound determination of correlations of biological origin. The findings also indicate that it is possible to minimize unwanted metabolite correlations by altering spectral patterns in the presence of significant spectral overlap. Published by Elsevier Inc.