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基于超快技术的投影重建三维核磁共振波谱学。

Ultrafast-based projection-reconstruction three-dimensional nuclear magnetic resonance spectroscopy.

作者信息

Mishkovsky Mor, Kupce Eriks, Frydman Lucio

机构信息

Department of Chemical Physics, Weizmann Institute of Science, 76100 Rehvot, Israel.

出版信息

J Chem Phys. 2007 Jul 21;127(3):034507. doi: 10.1063/1.2748768.

Abstract

Recent years have witnessed increased efforts toward the accelerated acquisition of multidimensional nuclear magnetic resonance (nD NMR) spectra. Among the methods proposed to speed up these NMR experiments is "projection reconstruction," a scheme based on the acquisition of a reduced number of two-dimensional (2D) NMR data sets constituting cross sections of the nD time domain being sought. Another proposition involves "ultrafast" spectroscopy, capable of completing nD NMR acquisitions within a single scan. Potential limitations of these approaches include the need for a relatively slow 2D-type serial data collection procedure in the former case, and a need for at least n high-performance, linearly independent gradients and a sufficiently high sensitivity in the latter. The present study introduces a new scheme that comes to address these limitations, by combining the basic features of the projection reconstruction and the ultrafast approaches into a single, unified nD NMR experiment. In the resulting method each member within the series of 2D cross sections required by projection reconstruction to deliver the nD NMR spectrum being sought, is acquired within a single scan with the aid of the 2D ultrafast protocol. Full nD NMR spectra can thus become available by backprojecting a small number of 2D sets, collected using a minimum number of scans. Principles, opportunities, and limitations of the resulting approach, together with demonstrations of its practical advantages, are here discussed and illustrated with a series of three-dimensional homo- and heteronuclear NMR correlation experiments.

摘要

近年来,人们为加快获取多维核磁共振(nD NMR)谱付出了更多努力。在为加速这些NMR实验而提出的方法中,有“投影重建”,这是一种基于获取数量减少的二维(2D)NMR数据集的方案,这些数据集构成了所寻求的nD时域的横截面。另一种提议涉及“超快”光谱学,它能够在单次扫描内完成nD NMR采集。这些方法的潜在局限性包括,在前一种情况下需要相对较慢的2D型串行数据采集过程,而在后一种情况下需要至少n个高性能、线性独立的梯度以及足够高的灵敏度。本研究引入了一种新方案来解决这些局限性,即将投影重建和超快方法的基本特征结合到一个统一的nD NMR实验中。在所得方法中,投影重建为获取所寻求的nD NMR谱所需的二维横截面系列中的每个成员,借助二维超快协议在单次扫描内采集。因此,通过对使用最少扫描次数收集的少量二维数据集进行反投影,就可以得到完整的nD NMR谱。本文讨论了所得方法的原理、机遇和局限性,并通过一系列三维同核和异核NMR相关实验展示了其实用优势。

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