A new perspective of molecular diffusion by nuclear magnetic resonance

Sci Rep. 2023 Jan 30;13(1):1703. doi: 10.1038/s41598-023-27389-7.

Abstract

The diffusion-weighted NMR signal acquired using Pulse Field Gradient (PFG) techniques, allows for extrapolating microstructural information from porous materials and biological tissues. In recent years there has been a multiplication of diffusion models expressed by parametric functions to fit the experimental data. However, clear-cut criteria for the model selection are lacking. In this paper, we develop a theoretical framework for the interpretation of NMR attenuation signals in the case of Gaussian systems with stationary increments. The full expression of the Stejskal-Tanner formula for normal diffusing systems is devised, together with its extension to the domain of anomalous diffusion. The range of applicability of the relevant parametric functions to fit the PFG data can be fully determined by means of appropriate checks to ascertain the correctness of the fit. Furthermore, the exact expression for diffusion weighted NMR signals pertaining to Brownian yet non-Gaussian processes is also derived, accompanied by the proper check to establish its contextual relevance. The analysis provided is particularly useful in the context of medical MRI and clinical practise where the hardware limitations do not allow the use of narrow pulse gradients.