Magnetic Resonance
Magnetic Resonance
MR
Articles | Volume 5, issue 1
Articles | Volume 5, issue 1
https://doi.org/10.5194/mr-5-69-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-5-69-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 5, issue 1
Research article
 | 
11 Jun 2024
Research article |  | 11 Jun 2024

Evaluating the motional timescales contributing to averaged anisotropic interactions in MAS solid-state NMR

Kathrin Aebischer, Lea Marie Becker, Paul Schanda, and Matthias Ernst

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Abergel, D. and Palmer, A. G.: On the use of the stochastic Liouville equation in nuclear magnetic resonance: Application to R1ρ relaxation in the presence of exchange, Concepts Magn. Reso. A, 19A, 134–148, https://doi.org/10.1002/cmr.a.10091, 2003. a, b
Aebischer, K.: Evaluating the motional time scales contributing to averaged anisotropic interactions in MAS solid-state NMR, ETH Zurich [data set and code], https://doi.org/10.3929/ethz-b-000666765, 2024. a
Aebischer, K. and Ernst, M.: INEPT and CP transfer efficiencies of dynamic systems in MAS solid-state NMR, J. Magn. Reson., 359, 107617, https://doi.org/10.1016/j.jmr.2024.107617, 2024. a, b
Akbey, Ü.: Site-specific protein methyl deuterium quadrupolar patterns by proton-detected 3D 2H–13C–1H MAS NMR spectroscopy, J. Biomol. NMR, 76, 23–28, https://doi.org/10.1007/s10858-021-00388-4, 2022. a, b
Akbey, Ü.: Site-specific protein backbone deuterium 2Hα quadrupolar patterns by proton-detected quadruple-resonance 3D 2HαCαNH MAS NMR spectroscopy, Solid State Nucl. Mag., 125, 101861, https://doi.org/10.1016/j.ssnmr.2023.101861, 2023. a, b, c, d
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To characterize the amplitude of dynamic processes in molecules, anisotropic parameters can be measured using solid-state NMR. However, the timescales of motion that lead to such a scaling of the anisotropic interactions are not clear. Using numerical simulations in small spin systems, we could show that mostly the magnitude of the anisotropic interaction determines the range of timescales detected by the scaled anisotropic interaction, and experimental parameters play a very minor role.
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