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Title: Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering

Abstract

In this paper, we review recent developments in the rapidly growing field of membrane biophysics, with a focus on the structural properties of single lipid bilayers determined by different scattering techniques, namely neutron and X-ray scattering. The need for accurate lipid structural properties is emphasized by the sometimes conflicting results found in the literature, even in the case of the most studied lipid bilayers. Increasingly, accurate and detailed structural models require more experimental data, such as those from contrast varied neutron scattering and X-ray scattering experiments that are jointly refined with molecular dynamics simulations. This experimental and computational approach produces robust bilayer structural parameters that enable insights, for example, into the interplay between collective membrane properties and its components (e.g., hydrocarbon chain length and unsaturation, and lipid headgroup composition). Finally, from model studies such as these, one is better able to appreciate how a real biological membrane can be tuned by balancing the contributions from the lipid’s different moieties (e.g., acyl chains, headgroups, backbones, etc.).

Authors:
 [1];  [2];  [3];  [4]
  1. Joint Inst. for Nuclear Research (JINR), Dubna (Russian Federation). Frank Lab. of Neutron Physics; Comenius Univ., Bratislava (Slovakia). Dept. of Physical Chemistry of Drugs
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Joint Inst. for Neutron Sciences
  3. Univ. of South Florida, Tampa, FL (United States). Dept. of Physics
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Joint Inst. for Neutron Sciences; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); Ministry of Education, Science, Research and Sport of the Slovak Republic (Slovakia); Joint Inst. for Nuclear Research (JINR) (Russian Federation)
OSTI Identifier:
1265608
Grant/Contract Number:  
AC05-00OR22725; 1/1224/12; 04-4-1121-2015/2017
Resource Type:
Accepted Manuscript
Journal Name:
Membranes
Additional Journal Information:
Journal Volume: 5; Journal Issue: 3; Journal ID: ISSN 2077-0375
Publisher:
MDPI
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 59 BASIC BIOLOGICAL SCIENCES; lipidome; bilayer; structure; X-ray scattering; neutron scattering; lipid area

Citation Formats

Kučerka, Norbert, Heberle, Frederick A., Pan, Jianjun, and Katsaras, John. Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering. United States: N. p., 2015. Web. doi:10.3390/membranes5030454.
Kučerka, Norbert, Heberle, Frederick A., Pan, Jianjun, & Katsaras, John. Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering. United States. https://doi.org/10.3390/membranes5030454
Kučerka, Norbert, Heberle, Frederick A., Pan, Jianjun, and Katsaras, John. Mon . "Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering". United States. https://doi.org/10.3390/membranes5030454. https://www.osti.gov/servlets/purl/1265608.
@article{osti_1265608,
title = {Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering},
author = {Kučerka, Norbert and Heberle, Frederick A. and Pan, Jianjun and Katsaras, John},
abstractNote = {In this paper, we review recent developments in the rapidly growing field of membrane biophysics, with a focus on the structural properties of single lipid bilayers determined by different scattering techniques, namely neutron and X-ray scattering. The need for accurate lipid structural properties is emphasized by the sometimes conflicting results found in the literature, even in the case of the most studied lipid bilayers. Increasingly, accurate and detailed structural models require more experimental data, such as those from contrast varied neutron scattering and X-ray scattering experiments that are jointly refined with molecular dynamics simulations. This experimental and computational approach produces robust bilayer structural parameters that enable insights, for example, into the interplay between collective membrane properties and its components (e.g., hydrocarbon chain length and unsaturation, and lipid headgroup composition). Finally, from model studies such as these, one is better able to appreciate how a real biological membrane can be tuned by balancing the contributions from the lipid’s different moieties (e.g., acyl chains, headgroups, backbones, etc.).},
doi = {10.3390/membranes5030454},
journal = {Membranes},
number = 3,
volume = 5,
place = {United States},
year = {Mon Sep 21 00:00:00 EDT 2015},
month = {Mon Sep 21 00:00:00 EDT 2015}
}

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Specific volumes of unsaturated phosphatidylcholines in the liquid crystalline lamellar phase
journal, August 2005

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A systematic molecular dynamics simulation study of temperature dependent bilayer structural properties
journal, October 2014

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Mixed-chain phospholipids: Structures and chain-melting behavior
journal, October 2001


E. coli Outer Membrane and Interactions with OmpLA
journal, June 2014

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Membrane lipids: where they are and how they behave
journal, February 2008

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The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations
journal, January 2014

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The MARTINI Force Field:  Coarse Grained Model for Biomolecular Simulations
journal, July 2007

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Component volumes of unsaturated phosphatidylcholines in fluid bilayers: a densitometric study
journal, February 2007


Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering Data
journal, September 2008


CHARMM36 United Atom Chain Model for Lipids and Surfactants
journal, January 2014

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Structure of Gel Phase DMPC Determined by X-Ray Diffraction
journal, December 2002


Effect of Methyl-Branched Fatty Acids on the Structure of Lipid Bilayers
journal, November 2014

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Adaptation mechanisms of microorganisms to the toxic effects of organic solvents on membranes
journal, October 1996

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Intramembrane Electrostatic Interactions Destabilize Lipid Vesicles
journal, October 2002


Molecular structures of fluid phase phosphatidylglycerol bilayers as determined by small angle neutron and X-ray scattering
journal, September 2012

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Hybrid and Nonhybrid Lipids Exert Common Effects on Membrane Raft Size and Morphology
journal, September 2013

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How lipids affect the activities of integral membrane proteins
journal, November 2004


Experimental Validation of Molecular Dynamics Simulations of Lipid Bilayers: A New Approach
journal, February 2005


Comparing Simulations of Lipid Bilayers to Scattering Data: The GROMOS 43A1-S3 Force Field
journal, April 2013

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Phase equilibria and structure of dry and hydrated egg lecithin
journal, November 1967


Works referencing / citing this record:

Thermodynamic Characterization of Mixed Monolayers of a Novel Oxazolidine Derivative and Phospholipids
journal, October 2018

  • Rocha, Felipe de Sá; da Silva, Rafael Ramos; Codeceira, Gustavo Henrique Ribeiro
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  • DOI: 10.1007/s00232-018-0049-4

Computational Modeling of Realistic Cell Membranes
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journal, January 2019

  • Mallikarjunaiah, K. J.; Kinnun, Jacob J.; Petrache, Horia I.
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 34
  • DOI: 10.1039/c8cp06179c

Supported lipid bilayers with encapsulated quantum dots (QDs) via liposome fusion: effect of QD size on bilayer formation and structure
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  • Wlodek, Magdalena; Kolasinska-Sojka, Marta; Szuwarzynski, Michal
  • Nanoscale, Vol. 10, Issue 37
  • DOI: 10.1039/c8nr05877f

Membrane flexibility, free fatty acids, and the onset of vascular and neurological lesions in type 2 diabetes
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Structural Predictions of the SNX-RGS Proteins Suggest They Belong to a New Class of Lipid Transfer Proteins
journal, February 2022

  • Paul, Blessy; Weeratunga, Saroja; Tillu, Vikas A.
  • Frontiers in Cell and Developmental Biology, Vol. 10
  • DOI: 10.3389/fcell.2022.826688

Alcohol Interactions with Lipid Bilayers
journal, November 2017


Localization and Orientation of Xanthophylls in a Lipid Bilayer
journal, August 2017