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Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS)

In this paper, we provide an analytical description of the performance of the cross-polarization (CP) experiment, including linear ramps and adiabatic tangential sweeps, using effective Hamiltonians and simple rotations in 3D space. It is shown that radiofrequency field inhomogeneity induces a reduc...

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Autores principales: Šmelko, Andrej, Blahut, Jan, Reif, Bernd, Tošner, Zdeněk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Copernicus GmbH 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10539755/
https://www.ncbi.nlm.nih.gov/pubmed/37904859
http://dx.doi.org/10.5194/mr-4-199-2023
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author Šmelko, Andrej
Blahut, Jan
Reif, Bernd
Tošner, Zdeněk
author_facet Šmelko, Andrej
Blahut, Jan
Reif, Bernd
Tošner, Zdeněk
author_sort Šmelko, Andrej
collection PubMed
description In this paper, we provide an analytical description of the performance of the cross-polarization (CP) experiment, including linear ramps and adiabatic tangential sweeps, using effective Hamiltonians and simple rotations in 3D space. It is shown that radiofrequency field inhomogeneity induces a reduction in the transfer efficiency at increasing magic angle spinning (MAS) frequencies for both the ramp and the adiabatic CP experiments. The effect depends on the ratio of the dipolar coupling constant and the sample rotation frequency. In particular, our simulations show that for small dipolar couplings (1  [Formula: see text] ) and ultrafast MAS (above 100  [Formula: see text] ) the transfer efficiency is below 40 % when extended contact times up to 20  [Formula: see text] are used and relaxation losses are ignored. New recoupling and magnetization transfer techniques that are designed explicitly to account for inhomogeneous radiofrequency fields are needed.
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spelling pubmed-105397552023-10-30 Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS) Šmelko, Andrej Blahut, Jan Reif, Bernd Tošner, Zdeněk Magn Reson (Gott) Research Article In this paper, we provide an analytical description of the performance of the cross-polarization (CP) experiment, including linear ramps and adiabatic tangential sweeps, using effective Hamiltonians and simple rotations in 3D space. It is shown that radiofrequency field inhomogeneity induces a reduction in the transfer efficiency at increasing magic angle spinning (MAS) frequencies for both the ramp and the adiabatic CP experiments. The effect depends on the ratio of the dipolar coupling constant and the sample rotation frequency. In particular, our simulations show that for small dipolar couplings (1  [Formula: see text] ) and ultrafast MAS (above 100  [Formula: see text] ) the transfer efficiency is below 40 % when extended contact times up to 20  [Formula: see text] are used and relaxation losses are ignored. New recoupling and magnetization transfer techniques that are designed explicitly to account for inhomogeneous radiofrequency fields are needed. Copernicus GmbH 2023-08-15 /pmc/articles/PMC10539755/ /pubmed/37904859 http://dx.doi.org/10.5194/mr-4-199-2023 Text en Copyright: © 2023 Andrej Šmelko et al. https://creativecommons.org/licenses/by/4.0/This work is licensed under the Creative Commons Attribution 4.0 International License. To view a copy of this licence, visit https://creativecommons.org/licenses/by/4.0/
spellingShingle Research Article
Šmelko, Andrej
Blahut, Jan
Reif, Bernd
Tošner, Zdeněk
Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS)
title Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS)
title_full Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS)
title_fullStr Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS)
title_full_unstemmed Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS)
title_short Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS)
title_sort performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (mas)
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10539755/
https://www.ncbi.nlm.nih.gov/pubmed/37904859
http://dx.doi.org/10.5194/mr-4-199-2023
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