Derivative NMR spectroscopy for J-coupled multiplet resonances using short time signals (0.5 KB) encoded at low magnetic field strengths (1.5T). Part I: water suppressed

The theme of this study is within the realm of basic nuclear magnetic resonance (NMR) spectroscopy. It relies upon the mathematics of signal processing for NMR in analytical chemistry and medical diagnostics. Our objective is to use the fast Padé transform (both derivative and nonderivative as well as parametric and nonparametric) to address the problem of multiplets from J-coupling appearing in total shape spectra as completely unresolved resonances. The challenge is exacerbated especially for short time signals (0.5 KB, no zero filling), encoded at a standard clinical scanner with the lowest magnetic field strengths (1.5T), as is the case in the present investigation. Water has partially been suppressed in the course of encoding. Nevertheless, the residual water content is still more than four times larger than the largest among the other resonances. This challenge is further sharpened by the following question: Can the J-coupled multiplets be resolved by an exclusive reliance upon shape estimation alone (nonparametric signal processing)? In this work, the mentioned parametric signal processing is employed only as a gold standard aimed at cross-validating the reconstructions from nonparametric estimations. A paradigm shift, the derivative NMR spectroscopy, is at play here through unprecedentedly parametrizing total shape spectra (i.e. solving the quantification problem) by sole shape estimators without fitting any envelope.

In:JOURNAL OF MATHEMATICAL CHEMISTRY: Springer Science and Business Media LLC59:2, s. 364-4040259-97911572-8897

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