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

Analytical Chemistry
Mathias NilssonGareth A Morris

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.

References

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Citations

Feb 22, 2007·Chemical Communications : Chem Comm·Mathias Nilsson, Gareth A Morris
Jul 3, 2013·Journal of Biomolecular NMR·Johannes BjörneråsMathias Nilsson
Apr 10, 2013·Journal of Magnetic Resonance·Luk Van LokerenFrançois Ribot
Sep 23, 2011·Journal of Magnetic Resonance·Matsyendranath Shukla, Kavita Dorai
Apr 22, 2011·Journal of Magnetic Resonance·Adolfo BotanaMathias Nilsson
Aug 12, 2009·Journal of Magnetic Resonance·Mathias Nilsson
Jul 23, 2013·Journal of Magnetic Resonance·Beau R MartiniMathias Nilsson
Dec 24, 2013·Food Chemistry·Bent O PetersenSebastian Meier
Dec 28, 2010·Journal of Magnetic Resonance·Adolfo BotanaGareth A Morris
Oct 13, 2010·Biochimica Et Biophysica Acta·Anindita GayenChaitali Mukhopadhyay
Feb 22, 2017·Magnetic Resonance in Chemistry : MRC·Indrek ReileMarco Tessari
Jul 28, 2015·Dalton Transactions : an International Journal of Inorganic Chemistry·Milton N JacksonDarren W Johnson
Dec 30, 2015·Magnetic Resonance in Chemistry : MRC·Peter W A Howe
Feb 6, 2018·Magnetic Resonance in Chemistry : MRC·Laura CastañarMathias Nilsson
Apr 9, 2015·Natural Product Reports·Susana P Gaudêncio, Florbela Pereira
Mar 14, 2018·Chemistry : a European Journal·Mohammadali ForoozandehMathias Nilsson
Sep 17, 2009·Magnetic Resonance in Chemistry : MRC·A S McLachlanG A Morris
Jun 27, 2014·Angewandte Chemie·Tanja NöllGilbert Nöll
Aug 27, 2014·Magnetic Resonance in Chemistry : MRC·Guillermo Lucena AlcaldeIain J Day
Jun 15, 2007·Magnetic Resonance in Chemistry : MRC·Mathias Nilsson, Gareth A Morris
Jun 12, 2010·Magnetic Resonance in Chemistry : MRC·Claudio F TormenaGareth A Morris
Oct 16, 2008·Magnetic Resonance in Chemistry : MRC·Luk Van LokerenPavletta Denkova
Dec 6, 2018·Chembiochem : a European Journal of Chemical Biology·Bradley T FalkMark A McCoy
Jun 18, 2019·Current Medicinal Chemistry·Mattia VacchiniLaura Cipolla
May 3, 2012·Magnetic Resonance in Chemistry : MRC·Cláudio F TormenaGareth A Morris
Jan 28, 2014·Magnetic Resonance in Chemistry : MRC·Guilherme Dal PoggettoCláudio F Tormena
Aug 21, 2015·Magnetic Resonance in Chemistry : MRC·Abhishek GuptaWilliam S Price
Oct 21, 2016·Magnetic Resonance in Chemistry : MRC·Guilherme Dal PoggettoCláudio F Tormena
Jul 26, 2014·Chemistry : a European Journal·Simon Glanzer, Klaus Zangger
Nov 20, 2016·Angewandte Chemie·Mohammadali ForoozandehMathias Nilsson
Apr 19, 2011·Chembiochem : a European Journal of Chemical Biology·Virginia RoldósJesús Jiménez-Barbero
Apr 11, 2012·Chemistry : a European Journal·Laura MagginiDavide Bonifazi
Oct 4, 2013·Chemical Communications : Chem Comm·Adam A ColbourneMathias Nilsson
Aug 30, 2011·Organic & Biomolecular Chemistry·Ralph W AdamsMathias Nilsson
Apr 15, 2008·Analytical Chemistry·Mathias Nilsson, Gareth A Morris
May 23, 2009·Journal of the American Chemical Society·Riccardo MaregaMaurizio Prato
Feb 6, 2010·Analytical Chemistry·Maryam KhajehGareth A Morris
May 25, 2021·The Journal of Physical Chemistry Letters·Enping LinZhong Chen
Jan 13, 2015·Molecular Pharmaceutics·Stephen C WilsonSrinivasan Rajan
Mar 20, 2019·Journal of the American Chemical Society·Guilherme Dal PoggettoMathias Nilsson
May 3, 2011·Journal of the American Chemical Society·Adam A ColbourneMathias Nilsson

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