Distance information from proton-driven spin diffusion under MAS
Distance information from proton-driven spin diffusion under MAS
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DOI：
10.1016/j.cplett.2006.07.005
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发表时间：
2006-08-31
影响因子：
2.8
通讯作者：
Ernst, Matthias
中科院分区：
文献类型：
--
作者：
Grommek, Andreas;Meier, Beat H.;Ernst, Matthias
测量小偶极耦合，对应于长的核间距，在大耦合的存在下，质子驱动的自旋扩散（PDSD）实验中的C-13固态魔角自旋NMR的影响。使用相干和非相干模型以及模型物质上的测量的分析计算和数值模拟表明，偶极截断，较大的跨小耦合的偏振传输的抑制，并不强烈影响PDSD实验。因此，即使在存在较大耦合的情况下，也可以测量对应于小偶极耦合的长核间距（> 3埃）。这一发现为使用均匀标记的生物分子通过固态NMR进行结构测定提供了希望。(c)2006 Elsevier B. V.保留所有权利。
The measurement of small dipolar couplings, corresponding to long internuclear distances, in the presence of large couplings is investigated for proton-driven spin-diffusion (PDSD) experiments in C-13 solid-state magic-angle spinning NMR. Analytical calculations and numerical simulations using coherent and incoherent models as well as measurements on a model substance indicate that dipolar truncation, the suppression of polarization transfer across small couplings by larger ones, does not strongly influence the PDSD experiments. Therefore, long internuclear distances (> 3 angstrom) corresponding to small dipolar couplings can be measured even in the presence of larger couplings. This finding holds promise for structure determination by solid-state NMR using uniformly labelled biomolecules. (c) 2006 Elsevier B.V. All rights reserved.