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Biexponential fitting of diffusion-ordered NMR data: practicalities and limitations.

Mathias Nilsson·Mark A Connell·Adrian L Davis·Gareth A Morris
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Abstract

High resolution diffusion-ordered NMR spectroscopy (HR-DOSY) generally uses monoexponential fitting of the diffusional attenuation of pulsed-field gradient stimulated echo spectra and can, thus, only give proper separation of signals in the diffusion domain where the individual peaks are well-resolved in the spectral domain. In principle, it should be possible to resolve the decays of coincident spectral peaks by multiexponential fitting, but the well-known fundamental difficulties in such a separation are exacerbated by instrumental distortions of the signal decay. The limitations imposed on biexponential fitting by finite signal-to-noise ratio and by the distortion of the theoretical form of the signal attenuation as a result of pulsed-field gradient nonuniformity are explored, and the improvement in DOSY spectra produced using biexponential fitting afforded by compensating for the latter are illustrated.

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1-PropanolMagnetic Resonance SpectroscopyPentanolsReference StandardsSensitivity and SpecificitySucroseJournal ArticleResearch Support, Non-U.S. Gov't

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Mathias Nilsson, Mark A Connell, Adrian L Davis, Gareth A Morris. 2006-05-01. Biexponential fitting of diffusion-ordered NMR data: practicalities and limitations.. https://doi.org/10.1021/ac060034a

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