Depletion-induced forces and crowding in polymer-nanoparticle mixtures: Role of polymer shape fluctuations and penetrability

The Journal of Chemical Physics
Wei Kang Lim, Alan R Denton

Abstract

Depletion forces and macromolecular crowding govern the structure and function of biopolymers in biological cells and the properties of polymer nanocomposite materials. To isolate and analyze the influence of polymer shape fluctuations and penetrability on depletion-induced interactions and crowding by nanoparticles, we model polymers as effective penetrable ellipsoids, whose shapes fluctuate according to the probability distributions of the eigenvalues of the gyration tensor of an ideal random walk. Within this model, we apply Monte Carlo simulation methods to compute the depletion-induced potential of mean force between hard nanospheres and crowding-induced shape distributions of polymers in the protein limit, in which polymer coils can be easily penetrated by smaller nanospheres. By comparing depletion potentials from simulations of ellipsoidal and spherical polymer models with predictions of polymer field theory and free-volume theory, we show that polymer depletion-induced interactions and crowding depend sensitively on polymer shapes and penetrability, with important implications for bulk thermodynamic phase behavior.

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Citations

Jul 10, 2017·The Journal of Chemical Physics·Thiago CollaAlexandre P Dos Santos
Jan 3, 2020·The Journal of Chemical Physics·Kamal TripathiSatyavani Vemparala
Oct 25, 2016·Soft Matter·Matthew Urich, Alan R Denton
Oct 4, 2018·The Journal of Chemical Physics·Wyatt J Davis, Alan R Denton
Jan 15, 2021·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Upayan Baul, Joachim Dzubiella
Sep 3, 2021·The Journal of Chemical Physics·Alan R Denton, Wyatt J Davis

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