13CHD2 - 13C-CEST剖面中h -去耦边带的去除

IF 1.3 3区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Youlin Xia, Tairan Yuwen, Aizhuo Liu, Charalampos G. Kalodimos
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引用次数: 3

摘要

核磁共振的独特之处在于它能够提供对生物分子结构和内在动力学的综合洞察。化学交换现象通常作为生物大分子动态过程的探针,可以通过化学交换饱和转移(CEST)实验来定量研究。然而,当使用简单连续波方法时,13CHD2 13C-CEST实验剖面中总是出现2h -去耦边带,这可能会掩盖对激发态轻微下降的检测。传统上,在数据分析之前,通过去除2h -去耦场强-±50?范围内的实验点,手动从剖面中消除这些边带。距离基态的主要倾角两侧的Hz。不幸的是,如果它们与去耦边带重叠,这也可能消除潜在的小倾角。在这里,我们开发了使用分布在斜坡上的具有可变RF振幅的伪连续波进行2H去耦的方法。新方法在布鲁克光谱仪上进行了彻底的验证,范围为1H频率600、700和850?MHz和1.1 GHz)。通过这些方法,我们成功地从13CHD2 13C-CEST实验的核磁共振谱中去除了侧带。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Removal of 2H-decoupling sidebands in 13CHD2 13C-CEST profiles

Removal of 2H-decoupling sidebands in 13CHD2 13C-CEST profiles

A unique aspect of NMR is its capacity to provide integrated insight into both the structure and intrinsic dynamics of biomolecules. Chemical exchange phenomena that often serve as probes of dynamic processes in biological macromolecules can be quantitatively investigated with chemical exchange saturation transfer (CEST) experiments. 2H-decoupling sidebands, however, always occur in the profiles of 13CHD2 13C-CEST experiments when using the simple CW (continuous wave) method, which may obscure the detection of minor dips of excited states. Traditionally, these sidebands are manually eliminated from the profiles before data analysis by removing experimental points in the range of 2H-decoupling field strength?±50?Hz away from the major dips of the ground state on either side of the dips. Unfortunately, this may also eliminate potential minor dips if they overlap with the decoupling sidebands. Here, we developed methods that use pseudo-continuous waves with variable RF amplitudes distributed onto ramps for 2H decoupling. The new methods were thoroughly validated on Bruker spectrometers at a range of fields (1H frequencies of 600, 700, and 850?MHz, and 1.1 GHz). By using these methods, we successfully removed the sidebands from the NMR profiles of 13CHD2 13C-CEST experiments.

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来源期刊
Journal of Biomolecular NMR
Journal of Biomolecular NMR 生物-光谱学
CiteScore
6.00
自引率
3.70%
发文量
19
审稿时长
6-12 weeks
期刊介绍: The Journal of Biomolecular NMR provides a forum for publishing research on technical developments and innovative applications of nuclear magnetic resonance spectroscopy for the study of structure and dynamic properties of biopolymers in solution, liquid crystals, solids and mixed environments, e.g., attached to membranes. This may include: Three-dimensional structure determination of biological macromolecules (polypeptides/proteins, DNA, RNA, oligosaccharides) by NMR. New NMR techniques for studies of biological macromolecules. Novel approaches to computer-aided automated analysis of multidimensional NMR spectra. Computational methods for the structural interpretation of NMR data, including structure refinement. Comparisons of structures determined by NMR with those obtained by other methods, e.g. by diffraction techniques with protein single crystals. New techniques of sample preparation for NMR experiments (biosynthetic and chemical methods for isotope labeling, preparation of nutrients for biosynthetic isotope labeling, etc.). An NMR characterization of the products must be included.
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