Articles | Volume 2, issue 2
https://doi.org/10.5194/mr-2-545-2021
https://doi.org/10.5194/mr-2-545-2021
Research article
 | 
06 Jul 2021
Research article |  | 06 Jul 2021

Application of multiplet structure deconvolution to extract scalar coupling constants from 1D nuclear magnetic resonance spectra

Damien Jeannerat and Carlos Cobas

Related subject area

Field: Liquid-state NMR | Topic: Signal processing methods
NUScon: a community-driven platform for quantitative evaluation of nonuniform sampling in NMR
Yulia Pustovalova, Frank Delaglio, D. Levi Craft, Haribabu Arthanari, Ad Bax, Martin Billeter, Mark J. Bostock, Hesam Dashti, D. Flemming Hansen, Sven G. Hyberts, Bruce A. Johnson, Krzysztof Kazimierczuk, Hengfa Lu, Mark Maciejewski, Tomas M. Miljenović, Mehdi Mobli, Daniel Nietlispach, Vladislav Orekhov, Robert Powers, Xiaobo Qu, Scott Anthony Robson, David Rovnyak, Gerhard Wagner, Jinfa Ying, Matthew Zambrello, Jeffrey C. Hoch, David L. Donoho, and Adam D. Schuyler
Magn. Reson., 2, 843–861, https://doi.org/10.5194/mr-2-843-2021,https://doi.org/10.5194/mr-2-843-2021, 2021
Short summary

Cited articles

Berger, S.: A quarter of a century of SERF: The progress of an NMR pulse sequence and its application, Prog. Nucl. Mag. Res. Sp., 108, 74–114, https://doi.org/10.1016/j.pnmrs.2018.10.001, 2018. 
Bothner-By, A. A. and Dadok, J.: Useful manipulations of the free induction decay, J. Mag. Reson., 72, 540–543, https://doi.org/10.1016/0022-2364(87)90158-2, 1987. 
Cobas, C., Seoane, F., and Sykora, S.: Global Spectral Deconvolution (GSD) of 1D-NMR spectra, Stan's Library, Volume II, https://doi.org/10.3247/sl2nmr08.011, 2008. 
Cobas, J. C., Constantino-Castillo, V., Martin-Pastor, M., and del Rio-Portilla, F.: A two-stage approach to automatic determination of 1H NMR coupling constants, Magn. Reson. Chem., 43, 843–848, https://doi.org/10.1002/mrc.1623, 2005. 
del Río Portilla, F., and Freeman, R.: Measurement of Spin Coupling Constants by Decoupling and Reconvolution, J. Magn. Reson. Ser. A, 104, 358–362, https://doi.org/10.1006/jmra.1993.1236, 1993. 
Download
Short summary
Nuclear magnetic resonance spectroscopy is at the forefront of analytical methods used in organic chemistry and phytochemistry. Multiplet structure deconvolution has been revisited in the perspective of a robust integration in the computer-assisted workflow of 1D spectra analysis. New features include the management of coupling partners with spin > 1/2, second-order effects and partial signal overlap.