https://doi.org/10.1140/epjs/s11734-026-02381-0
Regular Article
Modeling magneto-mechanical effects in nanoparticle–biomolecule system: roles of dipolar interactions and field configuration
1
Institute of Natural Sciences and Mathematics, Department of Theoretical and Mathematical Physics, Laboratory of Mathematical Modeling of Physical and Chemical Processes in Multiphase Media, Ural Federal University, Ekaterinburg, Russia
2
Laboratory of Biomedical Nanomaterials, University of Science and Technology MISIS, Moscow, Russia
3
Pirogov Russian National Research Medical University, Moscow, Russia
a
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Received:
31
March
2026
Accepted:
7
May
2026
Published online:
22
May
2026
Abstract
Using computer simulations based on molecular dynamics, the magneto-mechanical effects of magnetic nanoparticles (MNPs) on biomolecules in an alternating magnetic field were investigated for two field configurations: linearly polarized and rotating. Biomolecules were modeled as elastic springs, with one end fixed to a substrate and a MNP attached to the other end. The influence of magnetic field parameters (amplitude and configuration) and the strength of interparticle dipolar interactions on the magnetization dynamics, force distribution, and structure formation processes in an ensemble of “spring–MNP” complexes was analyzed. It is shown that a rotating magnetic field, by enhancing MNP aggregation, suppressing the relaxation of elastic bonds, and increasing the fraction of MNPs subjected to elevated forces, creates more favorable conditions for the accumulation of critical bond deformations and, consequently, for biomolecule rupture. The obtained results are consistent with experimental data and can be used to develop methods for controlled magneto-mechanical actuation of biomolecules.
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© The Author(s), under exclusive licence to EDP Sciences, Springer-Verlag GmbH Germany, part of Springer Nature 2026
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
