Analysis of the MODIST Sequence for Selective Proton-Proton Recoupling.

IF 2.7 2区 化学 Q3 CHEMISTRY, PHYSICAL
Evgeny Nimerovsky, Marianna Stampolaki, Abel Cherian Varkey, Stefan Becker, Loren B Andreas
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引用次数: 0

Abstract

Theoretical and simulated analyses of selective homonuclear dipolar recoupling sequences serve as primary tools for understanding and determining the robustness of these sequences under various conditions. In this article, we investigate the recently proposed first-order dipolar recoupling sequence known as MODIST (Modest Offset Difference Internuclear Selective Transfer). We evaluate the MODIST transfer efficiency, assessing its dependence on rf-field strengths and the number of simulated spins, extending up to 10 spins. This helps to identify conditions that enhance polarization transfer among spins that are nearby in frequency, particularly among aliphatic protons. The exploration uncovers a novel effect for first-order selective recoupling sequences that we term "facilitated dipolar recoupling". This effect amplifies the recoupled dipolar interaction between distant spins due to the presence of additional strongly dipolar-coupled spins. Unlike the third spin-assisted recoupling mechanism, facilitated dipolar recoupling only requires a coupling to one of the two distant spins of interest. Experimental demonstration of MODIST, including at different rf-field strengths, was carried out with the membrane protein influenza A M2 in lipid bilayers using 55 kHz magic-angle spinning (MAS). Reducing MODIST rf-field strength by a factor of 2 unveils possibilities for detecting Hα-Hα and HMeth-HMeth correlations with a 3D (H)C(H)(H)CH experiment under fast MAS rates, all achievable without specific spin labeling.

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来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理:原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍: The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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