Topology mediates transport of nanoparticles in macromolecular networks

Xiaobin Dai, Xuanyu Zhang, Lijuan Gao, Ziyang Xu and Li-Tang Yan ()
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Xiaobin Dai: Tsinghua University
Xuanyu Zhang: Tsinghua University
Lijuan Gao: Tsinghua University
Ziyang Xu: Tsinghua University
Li-Tang Yan: Tsinghua University

Nature Communications, 2022, vol. 13, issue 1, 1-8

Abstract: Abstract Diffusion transport of nanoparticles in confined environments of macromolecular networks is common in diverse physical systems and regulates many biological responses. Macromolecular networks possess various topologies, featured by different numbers of degrees and genera. Although the network topologies can be manipulated from a molecular level, how the topology impacts the transport of nanoparticles in macromolecular networks remains unexplored. Here, we develop theoretical approaches combined with simulations to study nanoparticle transport in a model system consisting of network cells with defined topologies. We find that the topology of network cells has a profound effect on the free energy landscape experienced by a nanoparticle in the network cells, exhibiting various scaling laws dictated by the topology. Furthermore, the examination of the impact of cell topology on the detailed behavior of nanoparticle dynamics leads to different dynamical regimes that go beyond the particulars regarding the local network loop. The results might alter the conventional picture of the physical origin of transport in networks.

Date: 2022
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DOI: 10.1038/s41467-022-31861-9

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