Generalized Bloch model: a theory for pulsed magnetization transfer

TL;DR

This paper introduces a generalized Bloch model that accurately describes magnetization transfer in semi-solid spin pools, incorporating non-exponential decays and RF pulse rotations, improving data fit and simulation speed.

Contribution

It extends the classical Bloch model to include non-exponential decays and explicit RF pulse rotations, unifying existing theories and enhancing data modeling accuracy.

Findings

Model fits experimental data better than previous models.

Linear approximation reduces simulation time by 15,000 times.

Accurately simulates magnetization transfer in semi-solid pools.

Abstract

Purpose: The paper introduces a classical model to describe the dynamics of large spin-1/2 ensembles associated with nuclei bound in large molecule structures, commonly referred to as the semi-solid spin pool, and their magnetization transfer (MT) to spins of nuclei in Theory and Methods: Like quantum-mechanical descriptions of spin dynamics and like the original Bloch equations, but unlike existing MT models, the proposed model is based on the algebra of angular momentum in the sense that it explicitly models the rotations induced by radio-frequency (RF) pulses. It generalizes the original Bloch model to non-exponential decays, which are, e.g., observed for semi-solid spin pools. The combination of rotations with non-exponential decays is facilitated by describing the latter as Green's functions, comprised in an integro-differential equation. Results: Our model describes the data of an inversion-recovery magnetization-transfer experiment with varying durations of the inversion pulse substantially better than established models. We made this observation for all measured data, but in particular for pulse durations small than 300$\mu$s. Furthermore, we provide a linear approximation of the generalized Bloch model that reduces the simulation time by approximately a factor 15,000, enabling simulation of the spin dynamics caused by a rectangular RF-pulse in roughly 2$\mu$s. Conclusion: The proposed theory unifies the original Bloch model, Henkelman's steady-state theory for magnetization transfer, and the commonly assumed rotation induced by hard pulses (i.e., strong and infinitesimally short applications of RF fields) and describes experimental data better than previous models.