New simulation approach using classical formalism to water nuclear magnetic relaxation dispersions in presence of superparamagnetic particles used as MRI contrast agents.

Superparamagnetic nanoparticles are used as negative contrast agents in magnetic resonance imaging: owing to their large magnetic moment the water proton spins are dephased, which accelerates the nuclear magnetic relaxation of an aqueous sample containing these particles. Transverse and longitudinal relaxation times depend on several parameters of the nanoparticles such as radius and magnetization and on experimental parameters such as the static magnetic field or echo time. In this work, we introduce a new simulation methodology, using a classical formalism, allowing the simulation of the NMR signal during transverse and longitudinal relaxation induced by superparamagnetic particles in an aqueous solution, which, to our knowledge has never been done before. Nuclear magnetic relaxation dispersion profiles are obtained for a wide range of nanoparticle radii and magnetizations. The results can be classified in two regimes--the well-known motional averaging and static regimes. This generalizes previous studies focusing on transverse relaxation at high magnetic field (larger than 1 T). Simulation results correspond to analytical theories in their validity range and so far unknown dependences of the relaxation with magnetization and radii of the NMR dispersions profiles are observed, which could be used to characterize experimental samples containing large superparamagnetic particles.