skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Global SAXS Data Analysis for Multilamellar Vesicles: Evolution of the Scattering Density Profile (SDP) Model

Abstract

The highly successful scattering density profile (SDP) model, used to jointly analyze small-angle X-ray and neutron scattering data from unilamellar vesicles, has been adapted for use with data from fully hydrated, liquid crystalline multilamellar vesicles (MLVs). Using a genetic algorithm, this new method is capable of providing high-resolution structural information, as well as determining bilayer elastic bending fluctuations from standalone X-ray data. Structural parameters such as bilayer thickness and area per lipid were determined for a series of saturated and unsaturated lipids, as well as binary mixtures with cholesterol. The results are in good agreement with previously reported SDP data, which used both neutron and X-ray data. The inclusion of deuterated and non-deuterated MLV neutron data in the analysis improved the lipid backbone information but did not improve, within experimental error, the structural data regarding bilayer thickness and area per lipid.

Authors:
 [1];  [1];  [2];  [2];  [3];  [4];  [5];  [2];  [1]
  1. University of Graz, Institute of Molecular Biosciences, Austria
  2. ORNL
  3. University of Leeds, UK
  4. Graz University of Technology
  5. Atomic Energy of Canada Limited (AECL), Canadian Neutron Beam Centre (CNBC) and Comenius University,
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1117462
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Journal of Applied Crystallography
Additional Journal Information:
Journal Volume: 47; Journal Issue: 1; Journal ID: ISSN 1600--5767
Country of Publication:
United States
Language:
English

Citation Formats

Heftberger, Peter, Kollmitzer, Benjamin, Heberle, Frederick A, Pan, Jianjun, Rappolt, Michael, Amenitsch, Heinz, Kucerka, Norbert, Katsaras, John, and Pabst, georg. Global SAXS Data Analysis for Multilamellar Vesicles: Evolution of the Scattering Density Profile (SDP) Model. United States: N. p., 2014. Web. doi:10.1107/S1600576713029798.
Heftberger, Peter, Kollmitzer, Benjamin, Heberle, Frederick A, Pan, Jianjun, Rappolt, Michael, Amenitsch, Heinz, Kucerka, Norbert, Katsaras, John, & Pabst, georg. Global SAXS Data Analysis for Multilamellar Vesicles: Evolution of the Scattering Density Profile (SDP) Model. United States. https://doi.org/10.1107/S1600576713029798
Heftberger, Peter, Kollmitzer, Benjamin, Heberle, Frederick A, Pan, Jianjun, Rappolt, Michael, Amenitsch, Heinz, Kucerka, Norbert, Katsaras, John, and Pabst, georg. 2014. "Global SAXS Data Analysis for Multilamellar Vesicles: Evolution of the Scattering Density Profile (SDP) Model". United States. https://doi.org/10.1107/S1600576713029798.
@article{osti_1117462,
title = {Global SAXS Data Analysis for Multilamellar Vesicles: Evolution of the Scattering Density Profile (SDP) Model},
author = {Heftberger, Peter and Kollmitzer, Benjamin and Heberle, Frederick A and Pan, Jianjun and Rappolt, Michael and Amenitsch, Heinz and Kucerka, Norbert and Katsaras, John and Pabst, georg},
abstractNote = {The highly successful scattering density profile (SDP) model, used to jointly analyze small-angle X-ray and neutron scattering data from unilamellar vesicles, has been adapted for use with data from fully hydrated, liquid crystalline multilamellar vesicles (MLVs). Using a genetic algorithm, this new method is capable of providing high-resolution structural information, as well as determining bilayer elastic bending fluctuations from standalone X-ray data. Structural parameters such as bilayer thickness and area per lipid were determined for a series of saturated and unsaturated lipids, as well as binary mixtures with cholesterol. The results are in good agreement with previously reported SDP data, which used both neutron and X-ray data. The inclusion of deuterated and non-deuterated MLV neutron data in the analysis improved the lipid backbone information but did not improve, within experimental error, the structural data regarding bilayer thickness and area per lipid.},
doi = {10.1107/S1600576713029798},
url = {https://www.osti.gov/biblio/1117462}, journal = {Journal of Applied Crystallography},
issn = {1600--5767},
number = 1,
volume = 47,
place = {United States},
year = {Wed Jan 01 00:00:00 EST 2014},
month = {Wed Jan 01 00:00:00 EST 2014}
}