Journal Article

FZJ-2018-07469

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Weak Shape Anisotropy Leads to a Nonmonotonic Contribution to Crowding, Impacting Protein Dynamics under Physiologically Relevant Conditions

Myung, J. S. (Corresponding author) ; Roosen-Runge, F. ; Winkler, R. G. (Corresponding author)FZJ* ; Gompper, G. (Corresponding author)FZJ* ; Schurtenberger, P. ; Stradner, A.

2018
Soc.66306 Washington, DC

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Please use a persistent id in citations: http://hdl.handle.net/2128/22860  doi:10.1021/acs.jpcb.8b07901

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.

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Contributing Institute(s):

1. Theorie der Weichen Materie und Biophysik (IAS-2)

Research Program(s):

1. 553 - Physical Basis of Diseases (POF3-553) (POF3-553)

Appears in the scientific report 2018

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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