Weak Shape Anisotropy Leads to a Nonmonotonic Contribution to Crowding, Impacting Protein Dynamics under Physiologically Relevant Conditions
(2018) In The Journal of Physical Chemistry Part B 122.- Abstract
- The effect of a nonspherical particle shape on the dynamics in crowded solutions presents a significant challenge for a comprehensive understanding of interaction and structural relaxation in biological and soft matter. We report that small deviations from a spherical shape induce a nonmonotonic contribution to the crowding effect on the short-time cage diffusion compared with spherical systems, using molecular dynamics simulations with mesoscale hydrodynamics of a multiparticle collision dynamics fluid in semidilute systems with volume fractions smaller than 0.35. We show that the nonmonotonic effect due to anisotropy is caused by the combination of a reduced relative mobility over the entire concentration range and a looser and less... (More)
- The effect of a nonspherical particle shape on the dynamics in crowded solutions presents a significant challenge for a comprehensive understanding of interaction and structural relaxation in biological and soft matter. We report that small deviations from a spherical shape induce a nonmonotonic contribution to the crowding effect on the short-time cage diffusion compared with spherical systems, using molecular dynamics simulations with mesoscale hydrodynamics of a multiparticle collision dynamics fluid in semidilute systems with volume fractions smaller than 0.35. We show that the nonmonotonic effect due to anisotropy is caused by the combination of a reduced relative mobility over the entire concentration range and a looser and less homogeneous cage packing of nonspherical particles. Our finding stresses that nonsphericity induces new complexity, which cannot be accounted for in effective sphere models, and is of great interest in applications such as formulations as well as for the fundamental understanding of soft matter in general and crowding effects in living cells in particular. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/7f7f2e19-70d4-4ee2-88e1-a471a5c3ed90
- author
- Myung, Jin Suk LU ; Roosen-Runge, Felix LU ; Winkler, Roland G. ; Gompper, Gerhard ; Schurtenberger, Peter LU and Stradner, Anna LU
- organization
- publishing date
- 2018
- type
- Contribution to journal
- publication status
- published
- subject
- in
- The Journal of Physical Chemistry Part B
- volume
- 122
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- pmid:30499666
- scopus:85058798739
- ISSN
- 1520-5207
- DOI
- 10.1021/acs.jpcb.8b07901
- language
- English
- LU publication?
- yes
- id
- 7f7f2e19-70d4-4ee2-88e1-a471a5c3ed90
- date added to LUP
- 2018-12-17 09:56:07
- date last changed
- 2022-04-25 19:56:24
@article{7f7f2e19-70d4-4ee2-88e1-a471a5c3ed90, abstract = {{The effect of a nonspherical particle shape on the dynamics in crowded solutions presents a significant challenge for a comprehensive understanding of interaction and structural relaxation in biological and soft matter. We report that small deviations from a spherical shape induce a nonmonotonic contribution to the crowding effect on the short-time cage diffusion compared with spherical systems, using molecular dynamics simulations with mesoscale hydrodynamics of a multiparticle collision dynamics fluid in semidilute systems with volume fractions smaller than 0.35. We show that the nonmonotonic effect due to anisotropy is caused by the combination of a reduced relative mobility over the entire concentration range and a looser and less homogeneous cage packing of nonspherical particles. Our finding stresses that nonsphericity induces new complexity, which cannot be accounted for in effective sphere models, and is of great interest in applications such as formulations as well as for the fundamental understanding of soft matter in general and crowding effects in living cells in particular.}}, author = {{Myung, Jin Suk and Roosen-Runge, Felix and Winkler, Roland G. and Gompper, Gerhard and Schurtenberger, Peter and Stradner, Anna}}, issn = {{1520-5207}}, language = {{eng}}, publisher = {{The American Chemical Society (ACS)}}, series = {{The Journal of Physical Chemistry Part B}}, title = {{Weak Shape Anisotropy Leads to a Nonmonotonic Contribution to Crowding, Impacting Protein Dynamics under Physiologically Relevant Conditions}}, url = {{http://dx.doi.org/10.1021/acs.jpcb.8b07901}}, doi = {{10.1021/acs.jpcb.8b07901}}, volume = {{122}}, year = {{2018}}, }