Advanced search
Publication Cover
Molecular Simulation Volume 43, 2017 - Issue 13-16: Proceedings of the 4th International Conference on Molecular Simulation
Submit an article Journal homepage
114
Views
1
CrossRef citations to date
0
Altmetric
Articles

Structural ordering of lipid bilayers induced by surfactant molecules with small hydrophilic head group

Yoshimichi AndohGraduate School of Engineering, Center of Computational Science, Nagoya University, Nagoya, Japan.ORCID Iconhttp://orcid.org/0000-0001-5027-4120View further author information
ORCID Icon,
Siti Nor Syafawani MohamedDepartment of Applied Chemistry, Nagoya University, Nagoya, Japan.View further author information
,
Sakiho KitouDepartment of Applied Chemistry, Nagoya University, Nagoya, Japan.View further author information
&
Susumu OkazakiGraduate School of Engineering, Center of Computational Science, Nagoya University, Nagoya, Japan.;Department of Applied Chemistry, Nagoya University, Nagoya, Japan.Correspondence[email protected]
View further author information
Pages 1247-1255 | Received 07 Feb 2017, Accepted 05 Apr 2017, Published online: 24 May 2017

References

  • Voet D, Voet JG. Biochemisty. 4th ed. New York (NY): Wiley-Interscience; 2010.
  • Luckey M. Membrane structural biology: with biological and biophysical foundations. 2nd ed. New York (NY): Cambridge University Press; 2014.
  • Pandit SA, Chiu SW, Jakobsson E, et al. Cholesterol surrogates: a comparison of cholesterol and 16:0 ceramide in POPC bilayers. Biophys J. 2007;92:920–927.
  • Alwarawrah M, Dai J, Huang J. Modification of lipid bilayer structure by diacylglycerol: a comparative study of diacylglycerol and cholesterol. J Chem Theory Comput. 2012;8:749–758.
  • Megha, London E. Ceramide selectively displaces cholesterol from ordered lipid domains (rafts). J Biol Chem. 2004;279:9997–10004.
  • Thurmond RL, Otten D, Brown MF, et al. Structure and packing of phosphatidylcholines in lamellar and hexagonal liquid-crystalline mixtures with a nonionic detergent: a wide-line deuterium and phosphorus-31 NMR study. J Phys Chem. 1994;98:972–983.
  • Otten D, Brown MF, Beyer K. Softening of membrane bilayers by detergents elucidated by deuterium NMR spectroscopy. J Phys Chem B. 2000;104:12119–12129.
  • Brown MF, Thurmond RL, Dodd SW, et al. Elastic deformation of membrane bilayers probed by deuterium NMR relaxation. J Am Chem Soc. 2002;124:8471–8484.
  • Andoh Y, Muraoka S, Okazaki S. Molecular dynamics study of changes in physico-chemical properties of DMPC lipid bilayers by addition of nonionic surfactant C12E10. Mol Siml. 2015;41:955–960.
  • Huang J, Feigenson GW. A microscopic interaction model of maximum solubility of cholesterol in lipid bilayers. Biophys J. 1999;76:2142–2157.
  • Klauda JB, Venable RM, Freites JA, et al. Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. J Phys Chem B. 2010;114:7830–7843.
  • Vanommeslaeghe K, Hatcher E, Acharya C, et al. CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields. J Comput Chem. 2010;31:671–690.
  • Durell SR, Brooks BR, Ben-Naim A. Solvent induced forces between two hydrophilic groups. J Phys Chem. 1994;98:2198–2202.
  • Steinbach PJ, Brooks BR. New spherical-cutoff methods for long-range forces in macromolecular simulation. J Comput Chem. 1994;15:667–683.
  • Essmann U, Perera L, Berkowitz ML, et al. A smooth particle mesh Ewald method. J Chem Phys. 1995;103:8577–8593.
  • Tuckerman M, Berne BJ. Reversible multiple time scale molecular dynamics. J Chem Phys. 1992;97:1990–2001.
  • Martyna GJ, Tuckerman ME, Tobias DJ, et al. Explicit reversible integrators for extended systems dynamics. Mol Phys. 1996;87:1117–1157.
  • Nosé S. A molecular dynamics method for simulations in the canonical ensemble. Mol Phys. 1984;52:255–268.
  • Hoover WG. Canonical dynamics: equilibrium phase-space distribution. Phys Rev A. 1985;31:1695–1697.
  • Martyna GJ, Tuckerman ME, Klein ML. Nosé--Hoover chains: the canonical ensemble via continuous dynamics. J Chem Phys. 1992;97:1990–2001.
  • Parrinello M, Rahman A. Crystal structure and pair potentials: a molecular dynamics study. Phys Rev Lett. 1980;45:1196–1199.
  • Andoh Y, Yoshii N, Fujimoto K, et al. MODYLAS: a highly parallelized general-purpose molecular dynamics simulation program for large-scale systems with long range forces calculated by fast multipole method (FMM) and highly scalable fine-grained new parallel processing algorithms. J Chem Theor Comput. 2013;9:3201–3209.
  • Patra M, Salonen E, Terama E, et al. Under the influence of alcohol: the effect of ethanol and methanol on lipid bialyers. Biophys J. 2006;90:1121–1135.
  • Ly HV, Longo ML. The influence of short-chain alcohols on interfacial tension, mechanical properties, area/molecule, and permeability of fluid lipid bilayers. Biophys J. 2004;87:1013–1033.
  • Leftin A, Brown MF. An NMR database for simulation of membrane dynamics. Biochim Biophys Acta. 2011;1808:818–839.
  • van Blitterswijk WJ, de Veer G, Krol JH, et al. Comparative lipid analysis of purified plasma membranes and shed extracellular membrane vesicles from normal murine thymocytes and leukemic GRSL cells. Biochim Biophys Acta. 1982;688:495–504.
  • van Hoeven RP, Emmelot P. Studies on plasma membranes. J Membr Biol. 1972;9:105–126.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.