Dynamic NMR: combined use of 1D selective EXSY and complete lineshape analysis of spectra subjected to reference deconvolution and linear prediction or the maximum entropy method

In dynamic NMR lineshape analysis and in handling other curve-fitting probl ems, the quality of the adjusted parameters improves if the iterative proce dure is constrained by introducing additional conditions. It is demonstrate d on a simple model of a two-site exchange system that in the complete line shape analysis of spectra subjected to reference deconvolution and linear p rediction or the maximum entropy method in combination with 1D EXSY experim ents, the unknown parameters can be reduced to only one, the rate constant. This approach ensures excellent results for the activation parameters. It is also shown that 1D selective EXSY (1D SEXSY) experiments using E-BURP pu lses could successfully be used as a substitute to the more (experimentally ) demanding 2D EXSY measurements. Copyright (C) 2001 John Wiley & Sons, Ltd .