Submitted to: Nonlinear Computer Modeling of Chemical and Biochemical Data
Publication Type: Book / Chapter
Publication Acceptance Date: 5/4/1995
Publication Date: N/A
Citation: N/A Interpretive Summary: Book chapter - interpretive summary is not required.
Technical Abstract: The fundamentals of NMR relaxation theory as well as the analysis of experimental data by nonlinear regression models are the focus of chapter 8. Several applications from NMR in solutions and solid state NMR are presented in detail. A tutorial designed for the average researcher is given. Two dimensional 1H NMR relaxation data of aqueous solutions of b-lactoglobulin are analyzed using appropriate nonlinear regression models with their derived molecular parameters. Calculated errors are shown. Line shape analysis of NMR results of beta-lactoglobulin with deuterated lysines is also presented. A detailed description of the influence of frequency on deuterium relaxation in D2O solutions of proteins is shown to be useful for determining the molecular basis for protein hydration. Introduction to Field Dispersion in protein solutions, models for deuterium relaxation in protein solutions, and the analysis of field dispersion results for various proteins are discussed under this subtopic. The determination of the hydration of soy protein under several environmental conditions using 17O and 1H NMR relaxation results in conjunction with nonlinear regression analysis are given. Line shape analysis of solid state NMR data for several systems is shown to yield parameters describing molecular motion in the solid state.