Using synMARSS, a novel platform for simulating in vivo synthetic spectra, to investigate 14N heteronuclear coupling effects

Motivation: Synthetic spectra can be used to investigate modeling assumptions, optimize sequence parameters and for machine learning training data Goal(s): To develop a platform that can produce synthetic spectra, and to use it to investigate the effects of 14N coupling on 1H quantificationApproach: MARSS was extended to be able to create synthetic spectra, and accommodate spin 1 nuclei Results: Using synthetic spectra it was shown that approximating 14N heteronuclear coupling as weak homonuclear coupling results in small effects on quantification of the prominent metabolites at short echo time for PRESS, however, these effects increase with echo time. Impact: MARSS was extended to simulate non-1H in vivo synthetic magnetic resonance spectra. Synthetic spectra can be used to bolster experimental evidence, or to investigate questions which are impossible or infeasible experimentally.