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同核简化等价途径光谱学保持。

Homonuclear Simplified Preservation of Equivalent Pathways Spectroscopy.

机构信息

Department of NMR-Based Structural Biology, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, Göttingen 37077, Germany.

Department of Molecular Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie, Robert-Rössle-Straße 10, Berlin 13125, Germany.

出版信息

J Phys Chem Lett. 2024 Jun 20;15(24):6272-6278. doi: 10.1021/acs.jpclett.4c00991. Epub 2024 Jun 10.

DOI:10.1021/acs.jpclett.4c00991
PMID:38856103
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11194807/
Abstract

Recently developed homonuclear transverse mixing optimal control pulses (hTROP) revealed an elegant way to enhance the detected signal in multidimensional magic-angle spinning (MAS) nuclear magnetic resonance experiments. Inspired by their work, we present two homonuclear simplified preservation of equivalent pathways spectroscopy (hSPEPS) sequences for recoupling CA-CO and CA-CB dipolar couplings under fast and ultrafast MAS rates, theoretically enabling a √2 improvement in sensitivity for each indirect dimension. The efficiencies of hSPEPS are evaluated for non-deuterated samples of influenza A M2 and bacterial rhomboid protease GlpG under two different external magnetic fields (600 and 1200 MHz) and MAS rates (55 and 100 kHz). Three-dimensional (H)CA(CO)NH, (H)CO(CA)NH, and (H)CB(CA)NH spectra demonstrate the high robustness of hSPEPS elements to excite carbon-carbon correlations, especially in the (H)CB(CA)NH spectrum, where hSPEPS outperforms the -based sequence by a factor of, on average, 2.85.

摘要

最近开发的同核横向混合最优控制脉冲 (hTROP) 为增强多维魔角旋转 (MAS) 核磁共振实验中的检测信号提供了一种优雅的方法。受其工作的启发，我们提出了两种同核简化保留等价途径谱学 (hSPEPS) 序列，用于在快速和超快 MAS 速率下重新耦合同核 CA-CO 和 CA-CB 偶极耦合，理论上可以使每个间接维度的灵敏度提高 √2。在两个不同的外磁场 (600 和 1200 MHz) 和 MAS 速率 (55 和 100 kHz) 下，对非氘化的流感 A M2 和细菌菱形蛋白酶 GlpG 样品评估了 hSPEPS 的效率。三维 (H)CA(CO)NH、(H)CO(CA)NH 和 (H)CB(CA)NH 谱表明 hSPEPS 元素对激发碳-碳相关的高稳健性，特别是在 (H)CB(CA)NH 谱中，hSPEPS 的性能平均比基于 -的序列高出 2.85 倍。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/c424398dfd1e/jz4c00991_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/36b240be5f6a/jz4c00991_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/fb1525e080fc/jz4c00991_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/c654e3f44b86/jz4c00991_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/c424398dfd1e/jz4c00991_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/36b240be5f6a/jz4c00991_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/fb1525e080fc/jz4c00991_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/c654e3f44b86/jz4c00991_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4130/11194807/c424398dfd1e/jz4c00991_0004.jpg

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