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通过优化随机采样和多维傅里叶变换获得的超高分辨率3D NMR谱确定自旋-自旋耦合。

Determination of spin-spin couplings from ultrahigh resolution 3D NMR spectra obtained by optimized random sampling and multidimensional Fourier transformation.

作者信息

Kazimierczuk Krzysztof, Zawadzka Anna, Koźmiński Wiktor, Zhukov Igor

机构信息

Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.

出版信息

J Am Chem Soc. 2008 Apr 23;130(16):5404-5. doi: 10.1021/ja800622p. Epub 2008 Apr 1.

Abstract

An example of precise evaluation of backbone scalar J couplings using random sampling of evolution time space in 3D NMR experiments is presented. The recorded spectrum, due to violation of the Nyquist theorem limitation, exhibits ultrahigh resolution in indirect dimensions compared to standard NMR experiment acquired at the same time. The obtained results enable simple and accurate evaluation of scalar and residual dipolar couplings from a single multidimensional NMR experiment.

摘要

本文介绍了一个在三维核磁共振实验中,利用演化时间空间的随机采样对主链标量J耦合进行精确评估的示例。由于违反了奈奎斯特定理的限制,所记录的谱图在间接维度上与同时采集的标准核磁共振实验相比,展现出超高分辨率。所得结果能够通过单次多维核磁共振实验对标量耦合和残余偶极耦合进行简单而准确的评估。

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