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Physico-chemical properties of superparamagnetic iron oxide nanoparticles (IONP) strongly affect their impact on transverse relaxation and their efficiency as MR contrast agents. Monte Carlo simulations were developed to model relaxation in silico for two novel IONPs with distinct physico-chemical properties. The IONPs comprised an identical magnetite core but differed in preparation strategy, defining their coating and size. Simulations were compared to in vitro relaxometry measurements and reproduced experimentally measured relaxation times. Using lognormally distributed particle radii in the simulations was required to obtain correct R2* values. Together, simulations and measurements unveiled additional particle aggregation in the MR samples.
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Klünder et al. (2024) studied this question.
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