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Title: The influence of curvature on domain distribution in binary mixture membranes

Abstract

Curvature-induced domain sorting, a strategy exploited by cells to organize membrane components, is a promising mechanism to control self-assembly of materials. To comprehend this phenomenon, we explore the effects of curvature on component rearrangement in thin polymer films and lipid bilayers supported on sinusoidal substrates. Self-consistent field theory (SCFT), specifically, was used to study the spatial distribution of polymers in blends containing conformationally asymmetric chains. In addition, coarse-grained molecular dynamics (MD) simulations were used to probe the arrangement of rigid lipid domains in a relatively soft lipid matrix. Besides the expected preference of rigid species localizing in regions with low mean curvature, both systems exhibit unexpected localization of rigid components in comparatively high curvature regions. The origins of this unexpected sorting are discussed in terms of entropic and enthalpic contributions. In summary, this study demonstrates that domain distribution strongly depends on local topography and further highlights the collective effects that thermodynamic forces have on the morphological behavior of membranes.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [3]; ORCiD logo [1]
+ Show Author Affiliations
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
  3. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1543203
Alternate Identifier(s):
OSTI ID: 1543356
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Soft Matter
Additional Journal Information:
Journal Volume: 15; Journal Issue: 33; Journal ID: ISSN 1744-683X
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE

Citation Formats

Li, Wei, Carrillo, Jan-Michael Y., Katsaras, John, Sumpter, Bobby G., Ashkar, Rana, and Kumar, Rajeev. The influence of curvature on domain distribution in binary mixture membranes. United States: N. p., 2019. Web. doi:10.1039/C9SM01262A.
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Li, Wei, Carrillo, Jan-Michael Y., Katsaras, John, Sumpter, Bobby G., Ashkar, Rana, & Kumar, Rajeev. The influence of curvature on domain distribution in binary mixture membranes. United States. https://doi.org/10.1039/C9SM01262A
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Li, Wei, Carrillo, Jan-Michael Y., Katsaras, John, Sumpter, Bobby G., Ashkar, Rana, and Kumar, Rajeev. Fri . "The influence of curvature on domain distribution in binary mixture membranes". United States. https://doi.org/10.1039/C9SM01262A. https://www.osti.gov/servlets/purl/1543203.
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@article{osti_1543203,
title = {The influence of curvature on domain distribution in binary mixture membranes},
author = {Li, Wei and Carrillo, Jan-Michael Y. and Katsaras, John and Sumpter, Bobby G. and Ashkar, Rana and Kumar, Rajeev},
abstractNote = {Curvature-induced domain sorting, a strategy exploited by cells to organize membrane components, is a promising mechanism to control self-assembly of materials. To comprehend this phenomenon, we explore the effects of curvature on component rearrangement in thin polymer films and lipid bilayers supported on sinusoidal substrates. Self-consistent field theory (SCFT), specifically, was used to study the spatial distribution of polymers in blends containing conformationally asymmetric chains. In addition, coarse-grained molecular dynamics (MD) simulations were used to probe the arrangement of rigid lipid domains in a relatively soft lipid matrix. Besides the expected preference of rigid species localizing in regions with low mean curvature, both systems exhibit unexpected localization of rigid components in comparatively high curvature regions. The origins of this unexpected sorting are discussed in terms of entropic and enthalpic contributions. In summary, this study demonstrates that domain distribution strongly depends on local topography and further highlights the collective effects that thermodynamic forces have on the morphological behavior of membranes.},
doi = {10.1039/C9SM01262A},
journal = {Soft Matter},
number = 33,
volume = 15,
place = {United States},
year = {2019},
month = {7}
}
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Journal Article:
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https://doi.org/10.1039/C9SM01262A
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Figures / Tables:

Fig. 1 Fig. 1: (a) SCFT based monomer volume fraction profiles of the B polymers in a blend (mixing ratio of B to A of 1 : 9) confined between sinusoidally corrugated thin films with h= 0.8,χ = 0.1, N = 60, and ηK = 2 at different corrugation wavelengths, λ ,more » and amplitudes, a. (b) Colormaps of the normalized mean curvature (|H|= $\frac{1}{2}$|u′′(x)|[1+u′(x)2]−3/2) with respect to their maximum values on sinusoidally corrugated surfaces of a = 1.4 with λ = 1.28, 2.56, 5.12, and 10.24. (c) SCFT based monomer volume fraction profiles of B in initial and converged final states for different λ systems and a = 1.4. (For visualization purposes, the color bar was changed from the one used in panel (a)). (d) Differences in the total free energy (∆F), enthalpic (∆U), and entropic changes (∆(−TS), T is temperature) between the final and the initial states as a function of λ . Length scales are in units of RgA = (N/6)1/2lA, where RgA is the unperturbed radius of gyration of the A polymer.« less
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Works referenced in this record:

Effects of surface roughness on adsorbed polymers
journal, March 1991

  • Baumgärtner, A.; Muthukumar, M.
  • The Journal of Chemical Physics, Vol. 94, Issue 5
  • DOI: 10.1063/1.460656

Dynamic sorting of lipids and proteins in membrane tubes with a moving phase boundary
journal, April 2010

  • Heinrich, M.; Tian, A.; Esposito, C.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 16
  • DOI: 10.1073/pnas.0913997107

Implementing molecular dynamics on hybrid high performance computers – short range forces
journal, April 2011

  • Brown, W. Michael; Wang, Peng; Plimpton, Steven J.
  • Computer Physics Communications, Vol. 182, Issue 4
  • DOI: 10.1016/j.cpc.2010.12.021

The 2018 biomembrane curvature and remodeling roadmap
journal, July 2018

  • Bassereau, Patricia; Jin, Rui; Baumgart, Tobias
  • Journal of Physics D: Applied Physics, Vol. 51, Issue 34
  • DOI: 10.1088/1361-6463/aacb98

Thin films of block copolymer
journal, May 1997

  • Matsen, M. W.
  • The Journal of Chemical Physics, Vol. 106, Issue 18
  • DOI: 10.1063/1.473778

High-curvature domains of the ER are important for the organization of ER exit sites in Saccharomyces cerevisiae
journal, March 2012

  • Okamoto, M.; Kurokawa, K.; Matsuura-Tokita, K.
  • Journal of Cell Science, Vol. 125, Issue 14
  • DOI: 10.1242/jcs.100065

Tunable generic model for fluid bilayer membranes
journal, July 2005

Curvature-Modulated Phase Separation in Lipid Bilayer Membranes
journal, May 2006

  • Parthasarathy, Raghuveer; Yu, Cheng-han; Groves, Jay T.
  • Langmuir, Vol. 22, Issue 11
  • DOI: 10.1021/la060390o

Curvature-Induced Sorting of Lipids in Plasma Membrane Tethers
journal, June 2018

  • Baoukina, Svetlana; Ingólfsson, Helgi I.; Marrink, Siewert J.
  • Advanced Theory and Simulations, Vol. 1, Issue 8
  • DOI: 10.1002/adts.201800034

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

A Computational Approach for Modeling Neutron Scattering Data from Lipid Bilayers
journal, January 2017

  • Carrillo, Jan-Michael Y.; Katsaras, John; Sumpter, Bobby G.
  • Journal of Chemical Theory and Computation, Vol. 13, Issue 2
  • DOI: 10.1021/acs.jctc.6b00968

Polymer adsorption on rough surfaces. 1. Ideal long chain
journal, October 1987

  • Hone, Daniel; Ji, Hong; Pincus, P. A.
  • Macromolecules, Vol. 20, Issue 10
  • DOI: 10.1021/ma00176a038

Polymer adsorption on rough surfaces
journal, March 2018

Surface segregation in conformationally asymmetric polymer blends: Incompressibility and boundary conditions
journal, April 1996

  • Wu, David T.; Fredrickson, Glenn H.; Carton, Jean‐Pierre
  • The Journal of Chemical Physics, Vol. 104, Issue 16
  • DOI: 10.1063/1.471272

Stable Patterns of Membrane Domains at Corrugated Substrates
journal, March 2008

Curvature and spatial organization in biological membranes
journal, January 2007

  • Parthasarathy, Raghuveer; Groves, Jay T.
  • Soft Matter, Vol. 3, Issue 1
  • DOI: 10.1039/B608631D

Parallel algorithm for numerical self-consistent field theory simulations of block copolymer structure
journal, September 2003

Buckling Under Pressure: Curvature-Based Lipid Segregation and Stability Modulation in Cardiolipin-Containing Bilayers
journal, June 2017

Curvature-driven lipid sorting needs proximity to a demixing point and is aided by proteins
journal, March 2009

  • Sorre, B.; Callan-Jones, A.; Manneville, J. -B.
  • Proceedings of the National Academy of Sciences, Vol. 106, Issue 14
  • DOI: 10.1073/pnas.0811243106

Elastic Modeling of Biomembranes and Lipid Bilayers
journal, May 2008

Defectivity in Laterally Confined Lamella-Forming Diblock Copolymers: Thermodynamic and Kinetic Aspects
journal, July 2012

  • Takahashi, Hassei; Laachi, Nabil; Delaney, Kris T.
  • Macromolecules, Vol. 45, Issue 15
  • DOI: 10.1021/ma300993x

Effects of Physical Heterogeneity on the Adsorption of Poly(ethylene oxide) at a Solid−Liquid Interface
journal, May 2001

  • Huang, Yu-Wen; Gupta, Vinay K.
  • Macromolecules, Vol. 34, Issue 11
  • DOI: 10.1021/ma001780z

Entropic and Enthalpic Effects in Thin Film Blends of Homopolymers and Bottlebrush Polymers
journal, February 2019

Perspective: Geometrically frustrated assemblies
journal, September 2016

  • Grason, Gregory M.
  • The Journal of Chemical Physics, Vol. 145, Issue 11
  • DOI: 10.1063/1.4962629

A Curvature-Mediated Mechanism for Localization of Lipids to Bacterial Poles
journal, January 2006

  • Huang, Kerwyn Casey; Mukhopadhyay, Ranjan; Wingreen, Ned S.
  • PLoS Computational Biology, Vol. 2, Issue 11
  • DOI: 10.1371/journal.pcbi.0020151

Microphase separation in thin films of lamellar forming polydisperse di-block copolymers
journal, January 2015

  • Kumar, Rajeev; Lokitz, Bradley S.; Sides, Scott W.
  • RSC Advances, Vol. 5, Issue 27
  • DOI: 10.1039/C5RA00974J

Sorting of Lipids and Proteins in Membrane Curvature Gradients
journal, April 2009

Solvent-free model for self-assembling fluid bilayer membranes: Stabilization of the fluid phase based on broad attractive tail potentials
journal, December 2005

  • Cooke, Ira R.; Deserno, Markus
  • The Journal of Chemical Physics, Vol. 123, Issue 22
  • DOI: 10.1063/1.2135785

Lipid Clustering Correlates with Membrane Curvature as Revealed by Molecular Simulations of Complex Lipid Bilayers
journal, October 2014

Effect of surface undulation on polymer adsorption
journal, March 2005

Sorting Mechanisms and Communication in Phase-Separating Coupled Monolayers
journal, October 2011

  • Mercker, Moritz; Richter, Thomas; Hartmann, Dirk
  • The Journal of Physical Chemistry B, Vol. 115, Issue 40
  • DOI: 10.1021/jp204127g

Elastic Properties of Lipid Bilayers: Theory and Possible Experiments
journal, December 1973

Can surface bound states be induced by interfacial roughness?
journal, July 1989

  • Ball, R. C.; Blunt, M.; Barford, W.
  • Journal of Physics A: Mathematical and General, Vol. 22, Issue 13
  • DOI: 10.1088/0305-4470/22/13/049

Martini 3: a coarse-grained force field with an eye for atomic detail
journal, March 2021

Statistical Mechanics of Membranes and Surfaces: Proceedings of the Jerusalem Winter School for Theoretical Physics
conference, June 1989

  • Nelson, D.; Piran, T.; Weinberg, S.
  • 5th Jerusalem Winter School for Theoretical Physics, Statistical Mechanics of Membranes and Surfaces
  • DOI: 10.1142/9789814541602

Tunable generic model for fluid bilayer membranes
text, January 2005

Statistical thermodynamics of surfaces, interfaces, and membranes: Samuel A. Safran, Addison-Wesley, Reading, Massachusetts, 1994
journal, February 1995

  • Podgornik, Rudolf
  • Journal of Statistical Physics, Vol. 78, Issue 3-4
  • DOI: 10.1007/bf02183712

A curvature-mediated mechanism for localization of lipids to bacterial poles
journal, January 2005

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