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Parallel NMR Supersequences: Ten Spectra in a Single Measurement

[Image: see text] The principles employed in parallel NMR and MRI are applied to NMR supersequences yielding as many as ten 2D NMR spectra in one measurement. We present a number of examples where two NOAH (NMR by Ordered Acquisition using (1)H-detection) supersequences are recorded in parallel, thu...

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Autores principales: Kupče, Ēriks, Yong, Jonathan R. J., Widmalm, Göran, Claridge, Tim D. W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8611666/
https://www.ncbi.nlm.nih.gov/pubmed/34841408
http://dx.doi.org/10.1021/jacsau.1c00423
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author Kupče, Ēriks
Yong, Jonathan R. J.
Widmalm, Göran
Claridge, Tim D. W.
author_facet Kupče, Ēriks
Yong, Jonathan R. J.
Widmalm, Göran
Claridge, Tim D. W.
author_sort Kupče, Ēriks
collection PubMed
description [Image: see text] The principles employed in parallel NMR and MRI are applied to NMR supersequences yielding as many as ten 2D NMR spectra in one measurement. We present a number of examples where two NOAH (NMR by Ordered Acquisition using (1)H-detection) supersequences are recorded in parallel, thus dramatically increasing the information content obtained in a single NMR experiment. The two parallel supersequences entangled by time-sharing schemes (IPAP-seHSQC, HSQC-COSY, and HSQC-TOCSY) incorporate also modified (sequential and/or interleaved) conventional pulse schemes (modules), including HMBC, TOCSY, COSY, CLIP-COSY, NOESY, and ROESY. Such parallel supersequences can be tailored for specific applications, for instance, the analysis and characterization of molecular structure of complex organic molecules from a single measurement. In particular, the CASPER software was used to establish the structure of a tetrasaccharide, β-LNnTOMe, with a high degree of confidence from a single measurement involving a parallel NOAH-5 supersequence.
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spelling pubmed-86116662021-11-26 Parallel NMR Supersequences: Ten Spectra in a Single Measurement Kupče, Ēriks Yong, Jonathan R. J. Widmalm, Göran Claridge, Tim D. W. JACS Au [Image: see text] The principles employed in parallel NMR and MRI are applied to NMR supersequences yielding as many as ten 2D NMR spectra in one measurement. We present a number of examples where two NOAH (NMR by Ordered Acquisition using (1)H-detection) supersequences are recorded in parallel, thus dramatically increasing the information content obtained in a single NMR experiment. The two parallel supersequences entangled by time-sharing schemes (IPAP-seHSQC, HSQC-COSY, and HSQC-TOCSY) incorporate also modified (sequential and/or interleaved) conventional pulse schemes (modules), including HMBC, TOCSY, COSY, CLIP-COSY, NOESY, and ROESY. Such parallel supersequences can be tailored for specific applications, for instance, the analysis and characterization of molecular structure of complex organic molecules from a single measurement. In particular, the CASPER software was used to establish the structure of a tetrasaccharide, β-LNnTOMe, with a high degree of confidence from a single measurement involving a parallel NOAH-5 supersequence. American Chemical Society 2021-11-09 /pmc/articles/PMC8611666/ /pubmed/34841408 http://dx.doi.org/10.1021/jacsau.1c00423 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Kupče, Ēriks
Yong, Jonathan R. J.
Widmalm, Göran
Claridge, Tim D. W.
Parallel NMR Supersequences: Ten Spectra in a Single Measurement
title Parallel NMR Supersequences: Ten Spectra in a Single Measurement
title_full Parallel NMR Supersequences: Ten Spectra in a Single Measurement
title_fullStr Parallel NMR Supersequences: Ten Spectra in a Single Measurement
title_full_unstemmed Parallel NMR Supersequences: Ten Spectra in a Single Measurement
title_short Parallel NMR Supersequences: Ten Spectra in a Single Measurement
title_sort parallel nmr supersequences: ten spectra in a single measurement
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8611666/
https://www.ncbi.nlm.nih.gov/pubmed/34841408
http://dx.doi.org/10.1021/jacsau.1c00423
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