Macromolecular crowding is a feature of cellular and cell-free systems that, through depletion effects, can impact the interactions of semiflexible biopolymers with surfaces. In this work, we use computer simulations to study crowding-induced adsorption of semiflexible polymers on otherwise repulsive surfaces. Crowding particles are modeled explicitly, and we investigate the interplay between the bending stiffness of the polymer and the volume fraction and size of crowding particles. Adsorption to flat surfaces is promoted by stiffer polymers, smaller crowding particles, and larger volume fractions of crowders. We characterize transitions from non-adsorbed to partially and strongly adsorbed states as a function of bending stiffness. The crowding-induced transitions occur at smaller values of the bending stiffness as the volume fraction of crowders increases. Concomitant effects on the size and shape of the polymer are reflected by crowding- and stiffness-dependent changes to the radius of gyration. For various polymer lengths, we identify a critical crowding fraction for adsorption and analyze its scaling behavior in terms of polymer stiffness. We also consider crowding-induced adsorption in spherical confinement and identify a regime in which increasing the bending stiffness induces desorption. The results of our simulations shed light on the interplay of crowding and bending stiffness on the spatial organization of biopolymers in encapsulated cellular and cell-free systems.
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21 July 2021
Research Article|
July 15 2021
Adsorption of semiflexible polymers in crowded environments
Special Collection:
Depletion Forces and Asakura-Oosawa Theory
Gaurav Chauhan
;
Gaurav Chauhan
1
Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville
, Knoxville, Tennessee 37996, USA
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Michael L. Simpson;
Michael L. Simpson
2
Department of Materials Science and Engineering, University of Tennessee, Knoxville
, Knoxville, Tennessee 37996, USA
3
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
, Oak Ridge, Tennessee 37831, USA
4
Bredesen Center for Interdisciplinary Research and Graduate Education, University of Tennessee, Knoxville and Oak Ridge National Laboratory
, Knoxville, Tennessee 37996–3394, USA
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Steven M. Abel
Steven M. Abel
a)
1
Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville
, Knoxville, Tennessee 37996, USA
a)Author to whom correspondence should be addressed: abel@utk.edu
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a)Author to whom correspondence should be addressed: abel@utk.edu
Note: This paper is part of the JCP Special Topic on Depletion Forces and Asakura–Oosawa Theory.
J. Chem. Phys. 155, 034904 (2021)
Article history
Received:
April 22 2021
Accepted:
June 25 2021
Citation
Gaurav Chauhan, Michael L. Simpson, Steven M. Abel; Adsorption of semiflexible polymers in crowded environments. J. Chem. Phys. 21 July 2021; 155 (3): 034904. https://doi.org/10.1063/5.0054797
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