Multispin Cross-Correlated Transverse Dipolar NMR Relaxation in Solution

IF 0.4 4区化学 Q4 CHEMISTRY, PHYSICAL

Concepts in Magnetic Resonance Part A Pub Date : 2022-04-12 DOI:10.1155/2022/1617848

E. Zuiderweg

引用次数: 1

Abstract

In this paper, we want to consider what would be involved in calculating the R2 relaxation of amide protons in a protein caused by dipolar interactions with nearby protons, for which there are many. NMR textbooks give analytical equations and sometimes derivations for solution NMR relaxation due to dipolar interactions between two spins. There are also closed equations for dipolar interactions between three spins, which include relaxation interference, also known as cross-correlated cross-relaxation. We here derive an expression for interference between four spins. For larger systems, such as amide protons in a protein, we develop a local-field methodology, from which solution relaxation interference can be computed for a basically limitless number of interacting spins.

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溶液中的多自旋交叉相关横向偶极核磁共振弛豫

在本文中，我们想要考虑计算蛋白质中酰胺质子的R2弛豫所涉及的是由与附近质子的偶极相互作用引起的，这样的质子有很多。核磁共振课本给出了由于两个自旋之间的偶极相互作用而引起的溶液核磁共振弛豫的解析方程，有时也给出了推导。也有三个自旋之间的偶极相互作用的封闭方程，其中包括弛豫干扰，也称为交叉相关交叉弛豫。我们在这里导出了四个自旋之间干涉的表达式。对于更大的系统，如蛋白质中的酰胺质子，我们开发了一种局部场方法，从这种方法可以计算出基本上无限数量的相互作用自旋的溶液弛豫干扰。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Concepts in Magnetic Resonance Part A 物理-光谱学

CiteScore

0.90

自引率

0.00%

发文量

审稿时长

>12 weeks

期刊介绍： Concepts in Magnetic Resonance Part A brings together clinicians, chemists, and physicists involved in the application of magnetic resonance techniques. The journal welcomes contributions predominantly from the fields of magnetic resonance imaging (MRI), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR), but also encourages submissions relating to less common magnetic resonance imaging and analytical methods. Contributors come from academic, governmental, and clinical communities, to disseminate the latest important experimental results from medical, non-medical, and analytical magnetic resonance methods, as well as related computational and theoretical advances. Subject areas include (but are by no means limited to): -Fundamental advances in the understanding of magnetic resonance -Experimental results from magnetic resonance imaging (including MRI and its specialized applications) -Experimental results from magnetic resonance spectroscopy (including NMR, EPR, and their specialized applications) -Computational and theoretical support and prediction for experimental results -Focused reviews providing commentary and discussion on recent results and developments in topical areas of investigation -Reviews of magnetic resonance approaches with a tutorial or educational approach