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Title: Effects of carotenoids on lipid bilayers

Abstract

Carotenoids have been found to be important in improving the integrity of biomembranes in eukaryotes. However, the molecular details of how carotenoids modulate the physical properties of biomembranes are unknown. To this end, we have conducted a series of molecular dynamics simulations of different biologically-relevant membranes in the presence of carotenoids. The carotenoid effect on the membrane was found to be specific to the identity of the carotenoid and the composition of the membrane itself. Therefore, different classes of carotenoids produce a different effect on the membrane, and different membrane phases are affected differently by carotenoids. It is apparent from our data that carotenoids do trigger the bilayer to become thinner. The mechanism by which this occurs depends on two competing factors, the ability of the lipid tails of opposing monolayers to either (1) compress or (2) interdigitate as the bilayer condenses. Indeed, carotenoids directly influence the physical properties via these two mechanisms, thus compacting the bilayer. However, the degree to which these competing mechanisms are utilized depends on the bilayer phase and the carotenoid identity.

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [2]
  1. National Institute for Mathematical and Biological Synthesis; University of Tennessee; Knoxville; USA; Center for Molecular Biophysics
  2. Center for Molecular Biophysics; Oak Ridge National Lab; Oak Ridge; USA
  3. Department of Biochemistry and Cellular & Molecular Biology; University of Tennessee; Knoxville; USA
  4. Center for Molecular Biophysics; Oak Ridge National Lab; Oak Ridge; USA; Department of Biochemistry and Cellular & Molecular Biology
Publication Date:
Research Org.:
Oak Ridge National Laboratory, Oak Ridge Leadership Computing Facility (OLCF); Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
OSTI Identifier:
1492842
DOE Contract Number:  
AC02-05CH11231; AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 20; Journal Issue: 5; Journal ID: ISSN 1463-9076
Country of Publication:
United States
Language:
English

Citation Formats

Johnson, Quentin R., Mostofian, Barmak, Fuente Gomez, Gabriel, Smith, Jeremy C., and Cheng, Xiaolin. Effects of carotenoids on lipid bilayers. United States: N. p., 2018. Web. doi:10.1039/c7cp07126d.
Johnson, Quentin R., Mostofian, Barmak, Fuente Gomez, Gabriel, Smith, Jeremy C., & Cheng, Xiaolin. Effects of carotenoids on lipid bilayers. United States. doi:10.1039/c7cp07126d.
Johnson, Quentin R., Mostofian, Barmak, Fuente Gomez, Gabriel, Smith, Jeremy C., and Cheng, Xiaolin. Mon . "Effects of carotenoids on lipid bilayers". United States. doi:10.1039/c7cp07126d.
@article{osti_1492842,
title = {Effects of carotenoids on lipid bilayers},
author = {Johnson, Quentin R. and Mostofian, Barmak and Fuente Gomez, Gabriel and Smith, Jeremy C. and Cheng, Xiaolin},
abstractNote = {Carotenoids have been found to be important in improving the integrity of biomembranes in eukaryotes. However, the molecular details of how carotenoids modulate the physical properties of biomembranes are unknown. To this end, we have conducted a series of molecular dynamics simulations of different biologically-relevant membranes in the presence of carotenoids. The carotenoid effect on the membrane was found to be specific to the identity of the carotenoid and the composition of the membrane itself. Therefore, different classes of carotenoids produce a different effect on the membrane, and different membrane phases are affected differently by carotenoids. It is apparent from our data that carotenoids do trigger the bilayer to become thinner. The mechanism by which this occurs depends on two competing factors, the ability of the lipid tails of opposing monolayers to either (1) compress or (2) interdigitate as the bilayer condenses. Indeed, carotenoids directly influence the physical properties via these two mechanisms, thus compacting the bilayer. However, the degree to which these competing mechanisms are utilized depends on the bilayer phase and the carotenoid identity.},
doi = {10.1039/c7cp07126d},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 5,
volume = 20,
place = {United States},
year = {2018},
month = {1}
}

Works referenced in this record:

Scalable molecular dynamics with NAMD
journal, January 2005

  • Phillips, James C.; Braun, Rosemary; Wang, Wei
  • Journal of Computational Chemistry, Vol. 26, Issue 16, p. 1781-1802
  • DOI: 10.1002/jcc.20289