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固体魔角旋转核磁共振中二维交换数据的双重处理

Dual processing of two-dimensional exchange data in magic angle spinning NMR of solids.

作者信息

Tycko R, Berger A E

机构信息

National Institute of Diabetes and Digestive and Kidney Diseases, Bethesda, Maryland 20892-0520, USA.

出版信息

J Magn Reson. 1999 Nov;141(1):141-7. doi: 10.1006/jmre.1999.1877.

Abstract

We discuss procedures for processing data in rotor-synchronized two-dimensional magic angle spinning (2D MAS) NMR exchange measurements for both structural and dynamical studies. We show, both mathematically and experimentally, that there are two distinct data processing procedures that lead to 2D MAS exchange spectra with purely absorptive crosspeaks. One procedure is that described previously by Hagemeyer, Schmidt-Rohr, and Spiess (HSS). The other procedure is related, but different, and leads to crosspeak intensities given by the formulae of Herzfeld, Roberts, and Griffin (HRG). In 2D MAS exchange experiments on doubly (13)C-labeled l-alanylglycylglycine, we demonstrate that the HSS and HRG crosspeak intensities can be extracted separately from the same data set and contain independent information. Processing and analysis of 2D MAS exchange data with both the HSS and the HRG procedures may enhance utilization of the information content of 2D MAS exchange measurements.

摘要

我们讨论了在转子同步二维魔角旋转(2D MAS)核磁共振交换测量中处理数据的程序,用于结构和动力学研究。我们通过数学和实验表明,有两种不同的数据处理程序可得到具有纯吸收性交叉峰的二维MAS交换谱。一种程序是先前由哈格迈尔、施密特 - 罗尔和斯皮斯(HSS)描述的。另一种程序与之相关但不同,会得到由赫茨费尔德、罗伯茨和格里芬(HRG)公式给出的交叉峰强度。在对双(13)C标记的L - 丙氨酰甘氨酰甘氨酸进行的二维MAS交换实验中,我们证明HSS和HRG交叉峰强度可以从同一数据集中分别提取,并且包含独立信息。使用HSS和HRG程序对二维MAS交换数据进行处理和分析,可能会提高二维MAS交换测量信息内容的利用率。

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