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Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR

[Image: see text] Scalar coupling patterns contain a wealth of structural information. The determination, especially of small scalar coupling constants, is often prevented by merging the splittings with the signal line width. Here we show that real-time J-upscaling enables the visualization of unres...

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Autores principales: Glanzer, Simon, Zangger, Klaus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2015
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4415032/
https://www.ncbi.nlm.nih.gov/pubmed/25837306
http://dx.doi.org/10.1021/jacs.5b01687
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author Glanzer, Simon
Zangger, Klaus
author_facet Glanzer, Simon
Zangger, Klaus
author_sort Glanzer, Simon
collection PubMed
description [Image: see text] Scalar coupling patterns contain a wealth of structural information. The determination, especially of small scalar coupling constants, is often prevented by merging the splittings with the signal line width. Here we show that real-time J-upscaling enables the visualization of unresolved coupling constants in the acquisition dimension of one-dimensional (1D) or multidimensional NMR spectra. This technique, which works by introducing additional scalar coupling evolution delays within the recording of the FID (free induction decay), not only stretches the recorded coupling patterns but also actually enhances the resolution of multiplets, by reducing signal broadening by magnetic field inhomogeneities during the interrupted data acquisition. Enlarging scalar couplings also enables their determination in situations where the spectral resolution is limited, such as in the acquisition dimension of heteronuclear broadband decoupled HSQC (heteronuclear single quantum correlation) spectra.
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spelling pubmed-44150322015-05-01 Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR Glanzer, Simon Zangger, Klaus J Am Chem Soc [Image: see text] Scalar coupling patterns contain a wealth of structural information. The determination, especially of small scalar coupling constants, is often prevented by merging the splittings with the signal line width. Here we show that real-time J-upscaling enables the visualization of unresolved coupling constants in the acquisition dimension of one-dimensional (1D) or multidimensional NMR spectra. This technique, which works by introducing additional scalar coupling evolution delays within the recording of the FID (free induction decay), not only stretches the recorded coupling patterns but also actually enhances the resolution of multiplets, by reducing signal broadening by magnetic field inhomogeneities during the interrupted data acquisition. Enlarging scalar couplings also enables their determination in situations where the spectral resolution is limited, such as in the acquisition dimension of heteronuclear broadband decoupled HSQC (heteronuclear single quantum correlation) spectra. American Chemical Society 2015-04-03 2015-04-22 /pmc/articles/PMC4415032/ /pubmed/25837306 http://dx.doi.org/10.1021/jacs.5b01687 Text en Copyright © 2015 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
spellingShingle Glanzer, Simon
Zangger, Klaus
Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR
title Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR
title_full Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR
title_fullStr Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR
title_full_unstemmed Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR
title_short Visualizing Unresolved Scalar Couplings by Real-Time J-Upscaled NMR
title_sort visualizing unresolved scalar couplings by real-time j-upscaled nmr
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4415032/
https://www.ncbi.nlm.nih.gov/pubmed/25837306
http://dx.doi.org/10.1021/jacs.5b01687
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