A Markov model for relaxation and exchange in NMR spectroscopy

被引:9
作者
Abergel, D
Palmer, AG
机构
[1] Ecole Normale Super, Dept Chim, F-75231 Paris, France
[2] Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10032 USA
关键词
D O I
10.1021/jp0458304
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A two-state Markov noise process for lattice fluctuations and chemical exchange dynamics is used to derive a stochastic Liouville equation describing the evolution of the spin-density operator in nuclear inagnetic resonance spectroscopy. Relaxation through lattice fluctuations and chemical exchange processes is incorporated into the theory at the same fundamental level, and the results are valid for all time scales provided that lattice fluctuations are much faster than chemical exchange kinetics. Time-scale separation emerges as an essential feature from the lowest-order perturbation expansion of the average resolvent in the Laplace domain.
引用
收藏
页码:4837 / 4844
页数:8
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