Modeling of self-diffusion and relaxation time NMR in multi-compartment systems

The theory of pulsed field gradient (pfg) NMR applied to molecules in cellular systems which contain different subcellular compartments separated by permeable membranes, acting as diffusion barriers, has been extended. A numerical model of restricted diffusion and magnetization relaxation behavior in pfg-CPMG NMR experiments, based on the Fick's second law of diffusion, is presented. This model is applicable to a wide range of systems and allows the exploration of temporal and spatial behavior of the magnetization with and without the influence of gradient pulses. Results of the numerical experiments show their correspondence to the previously observed ones and demonstrate the importance of the inclusion of the time domain data in analyzing diffusion measurements. (C) 1998 Academic Press.