Theoretical study of R1p rotating-frame and R2 free-precession relaxation in the presence of n-site chemical exchange
Theoretical study of R1p rotating-frame and R2 free-precession relaxation in the presence of n-site chemical exchange
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DOI：
10.1016/j.jmr.2004.06.005
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发表时间：
2004-09-01
影响因子：
2.2
通讯作者：
Palmer, AG
中科院分区：
文献类型：
--
作者：
Trott, O;Palmer, AG
n-位布洛赫-麦康奈尔方程描述了在实验室中或旋转参考系中，具有不同NMR化学位移的n种物质之间发生化学或构象相互转换的分子的核自旋磁化的演变。用微扰理论近似Bloch-McConnell方程的最大本征值，得到了实验室框架共振频率和横向弛豫速率常数的解析表达式。扰动处理是有效的，只要一个网站的人口是占主导地位的。新的结果是普遍适用于调查的动力学过程的NMR光谱。(C)2004年爱思唯尔公司All rights reserved.
The n-site Bloch-McConnell equations describe the evolution of nuclear spin magnetization in the laboratory or rotating frames of reference for molecules subject to chemical or conformational interconversions between n species with distinct NMR chemical shifts. Perturbation theory is used to approximate the largest eigenvalue of the Bloch-McConnell equations and obtain analytical expressions for the rotating-frame relaxation rate constant and for the laboratory frame resonance frequency and transverse relaxation rate constant. The perturbation treatment is valid whenever the population of one site is dominant. The new results are generally applicable to investigations of kinetic processes by NMR spectroscopy. (C) 2004 Elsevier Inc. All rights reserved.