Speedy component resolution: an improved tool for processing diffusion-ordered spectroscopy data

Analytical Chemistry
Mathias Nilsson, Gareth A Morris

Abstract

Diffusion-based NMR techniques (e.g., diffusion-ordered spectroscopy, DOSY), which can be used to distinguish between the signals of different components of a mixture, are steadily gaining in popularity. When processing data from a DOSY experiment it is often desirable to reconstruct the spectra of individual components; here, multivariate methods that take advantage of the covariance between the resonances of a given component can often be advantageous. This paper presents a minor variation on the established CORE method, speedy component resolution (SCORE), that gives a major improvement in performance. In common with CORE it can use any experimental sampling scheme and is adaptable to different experimental decay shapes, but unlike CORE it is very fast and relatively insensitive to starting guesses. The method is demonstrated on a mixture of quinine, geraniol, and camphene in deuteriated methanol, where all four component spectra can be extracted in less than 15 s.

References

Feb 21, 1998·Journal of Magnetic Resonance· Van Gorkom LCM, T M Hancewicz
Aug 26, 1998·Journal of Magnetic Resonance·M L TillettT J Norwood
Dec 17, 2005·Magnetic Resonance in Chemistry : MRC·R HuoL M C Buydens
Apr 8, 2006·Magnetic Resonance in Chemistry : MRC·Mathias Nilsson, Gareth A Morris
Apr 29, 2006·Analytical Chemistry·Mathias NilssonGareth A Morris
Jun 15, 2007·Magnetic Resonance in Chemistry : MRC·Mathias Nilsson, Gareth A Morris

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Citations

Feb 26, 2009·Chemical Communications : Chem Comm·Mathias NilssonGareth A Morris
Jul 3, 2013·Journal of Biomolecular NMR·Johannes BjörneråsMathias Nilsson
Aug 22, 2014·Progress in Nuclear Magnetic Resonance Spectroscopy·Ichrak ToumiBruno Torrésani
Apr 10, 2013·Journal of Magnetic Resonance·Luk Van LokerenFrançois Ribot
Jan 31, 2012·Journal of Magnetic Resonance·Caroline BarrèreStéphane Viel
Apr 22, 2011·Journal of Magnetic Resonance·Adolfo BotanaMathias Nilsson
Oct 26, 2010·Journal of Magnetic Resonance·Peter Stilbs
Aug 12, 2009·Journal of Magnetic Resonance·Mathias Nilsson
Jul 23, 2013·Journal of Magnetic Resonance·Beau R MartiniMathias Nilsson
Dec 28, 2010·Journal of Magnetic Resonance·Adolfo BotanaGareth A Morris
Jun 2, 2017·Chemical Communications : Chem Comm·G Dal PoggettoM Nilsson
Jan 26, 2017·The Analyst·Afef CherniMarc-André Delsuc
Dec 15, 2015·Magnetic Resonance in Chemistry : MRC·Jobst LiebauLena Mäler
Feb 6, 2018·Magnetic Resonance in Chemistry : MRC·Laura CastañarMathias Nilsson
Jun 23, 2018·Physical Chemistry Chemical Physics : PCCP·H E MasonJ A Shusterman
Mar 14, 2018·Chemistry : a European Journal·Mohammadali ForoozandehMathias Nilsson
Oct 16, 2008·Magnetic Resonance in Chemistry : MRC·Luk Van LokerenPavletta Denkova
Aug 31, 2010·Magnetic Resonance in Chemistry : MRC·Jari S KavakkaSami Heikkinen
Jan 30, 2015·Magnetic Resonance in Chemistry : MRC· NonappaErkki Kolehmainen
Jan 28, 2014·Magnetic Resonance in Chemistry : MRC·Guilherme Dal PoggettoCláudio F Tormena
Oct 21, 2016·Magnetic Resonance in Chemistry : MRC·Guilherme Dal PoggettoCláudio F Tormena
Nov 20, 2016·Angewandte Chemie·Mohammadali ForoozandehMathias Nilsson
Aug 30, 2011·Organic & Biomolecular Chemistry·Ralph W AdamsMathias Nilsson
May 15, 2020·Analytical and Bioanalytical Chemistry·Bin YuanMaili Liu
Oct 4, 2013·Chemical Communications : Chem Comm·Adam A ColbourneMathias Nilsson
Mar 5, 2020·Progress in Nuclear Magnetic Resonance Spectroscopy·Iain J Day
Feb 5, 2021·Chemical Communications : Chem Comm·Rituraj MishraJean-Nicolas Dumez
Mar 10, 2009·Inorganic Chemistry·Sushobhan Ghosh, Partha Sarathi Mukherjee
May 1, 2009·Analytical Chemistry·Robert EvansGareth A Morris
Feb 6, 2010·Analytical Chemistry·Maryam KhajehGareth A Morris
May 25, 2021·The Journal of Physical Chemistry Letters·Enping LinZhong Chen
Jul 20, 2021·Journal of Controlled Release : Official Journal of the Controlled Release Society·Florence FranconiPatrick Saulnier
Jul 22, 2021·Magnetic Resonance in Chemistry : MRC·Sarah L Draper, Evan R McCarney
Sep 21, 2019·The Journal of Organic Chemistry·Alexandra C SchwartzMichael W Giuliano
Jan 10, 2013·Analytical Chemistry·Mateusz UrbańczykKrzysztof Kazimierczuk
Aug 15, 2014·The Journal of Physical Chemistry. B·Zhenmin HongSanford A Asher
Mar 20, 2019·Journal of the American Chemical Society·Guilherme Dal PoggettoMathias Nilsson
Dec 10, 2013·Analytical Chemistry·Kaipin Xu, Shanmin Zhang
May 3, 2011·Journal of the American Chemical Society·Adam A ColbourneMathias Nilsson

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