Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles
Abstract
Low- and high-resolution models describing the internal transbilayer structure of asymmetric lipid vesicles have been developed. These models can be used for the joint analysis of small-angle neutron and X-ray scattering data. The models describe the underlying scattering length density/electron density profiles either in terms of slabs or through the so-called scattering density profile, previously applied to symmetric lipid vesicles. Both models yield structural details of asymmetric membranes, such as the individual area per lipid, and the hydrocarbon thickness of the inner and outer bilayer leaflets. The scattering density profile model, however, comes at a cost of increased computational effort but results in greater structural resolution, showing a slightly lower packing of lipids in the outer bilayer leaflet of ~120 nm diameter palmitoyloleoyl phosphatidylcholine (POPC) vesicles, compared to the inner leaflet. Here, analysis of asymmetric dipalmitoyl phosphatidylcholine/POPC vesicles did not reveal evidence of transbilayer coupling between the inner and outer leaflets at 323 K,i.e.above the melting transition temperature of the two lipids.
- Authors:
-
- Univ. of Graz (Austria); BioTechMed-Graz, Graz (Austria)
- Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of Graz (Austria); BioTechMed-Graz (Austria)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1351774
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Crystallography (Online)
- Additional Journal Information:
- Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 50; Journal Issue: 2; Journal ID: ISSN 1600-5767
- Publisher:
- International Union of Crystallography
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES
Citation Formats
Eicher, Barbara, Heberle, Frederick A., Marquardt, Drew T., Rechberger, Gerald N., Katsaras, John, and Pabst, Georg. Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles. United States: N. p., 2017.
Web. doi:10.1107/S1600576717000656.
Eicher, Barbara, Heberle, Frederick A., Marquardt, Drew T., Rechberger, Gerald N., Katsaras, John, & Pabst, Georg. Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles. United States. https://doi.org/10.1107/S1600576717000656
Eicher, Barbara, Heberle, Frederick A., Marquardt, Drew T., Rechberger, Gerald N., Katsaras, John, and Pabst, Georg. Tue .
"Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles". United States. https://doi.org/10.1107/S1600576717000656. https://www.osti.gov/servlets/purl/1351774.
@article{osti_1351774,
title = {Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles},
author = {Eicher, Barbara and Heberle, Frederick A. and Marquardt, Drew T. and Rechberger, Gerald N. and Katsaras, John and Pabst, Georg},
abstractNote = {Low- and high-resolution models describing the internal transbilayer structure of asymmetric lipid vesicles have been developed. These models can be used for the joint analysis of small-angle neutron and X-ray scattering data. The models describe the underlying scattering length density/electron density profiles either in terms of slabs or through the so-called scattering density profile, previously applied to symmetric lipid vesicles. Both models yield structural details of asymmetric membranes, such as the individual area per lipid, and the hydrocarbon thickness of the inner and outer bilayer leaflets. The scattering density profile model, however, comes at a cost of increased computational effort but results in greater structural resolution, showing a slightly lower packing of lipids in the outer bilayer leaflet of ~120 nm diameter palmitoyloleoyl phosphatidylcholine (POPC) vesicles, compared to the inner leaflet. Here, analysis of asymmetric dipalmitoyl phosphatidylcholine/POPC vesicles did not reveal evidence of transbilayer coupling between the inner and outer leaflets at 323 K,i.e.above the melting transition temperature of the two lipids.},
doi = {10.1107/S1600576717000656},
journal = {Journal of Applied Crystallography (Online)},
number = 2,
volume = 50,
place = {United States},
year = {Tue Feb 28 00:00:00 EST 2017},
month = {Tue Feb 28 00:00:00 EST 2017}
}
Web of Science
Figures / Tables:
Works referenced in this record:
A versatile ultra-high performance LC-MS method for lipid profiling
journal, March 2014
- Knittelfelder, Oskar L.; Weberhofer, Bernd P.; Eichmann, Thomas O.
- Journal of Chromatography B, Vol. 951-952
Small-angle neutron scattering from large unilamellar vesicles: An improved method for membrane thickness determination
journal, March 2000
- Pencer, J.; Hallett, F.
- Physical Review E, Vol. 61, Issue 3
Upgraded ESRF BM29 beamline for SAXS on macromolecules in solution
journal, May 2013
- Pernot, Petra; Round, Adam; Barrett, Ray
- Journal of Synchrotron Radiation, Vol. 20, Issue 4
Mantid—Data analysis and visualization package for neutron scattering and SR experiments
journal, November 2014
- Arnold, O.; Bilheux, J. C.; Borreguero, J. M.
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764
KWS-1 high-resolution small-angle neutron scattering instrument at JCNS: current state
journal, January 2015
- Feoktystov, Artem V.; Frielinghaus, Henrich; Di, Zhenyu
- Journal of Applied Crystallography, Vol. 48, Issue 1
Lipid Data Analyzer: unattended identification and quantitation of lipids in LC-MS data
journal, December 2010
- Hartler, Jürgen; Trötzmüller, Martin; Chitraju, Chandramohan
- Bioinformatics, Vol. 27, Issue 4
Model of separated form factors for unilamellar vesicles
journal, December 2002
- Kiselev, M. A.; Lesieur, P.; Kisselev, A. M.
- Applied Physics A: Materials Science & Processing, Vol. 74, Issue 0
Models to analyze small-angle neutron scattering from unilamellar lipid vesicles
journal, May 2004
- Kučerka, Norbert; Nagle, John F.; Feller, Scott E.
- Physical Review E, Vol. 69, Issue 5
Determination of Structural Parameters and Hydration of Unilamellar POPC/C 12 E 4 Vesicles at High Water Excess from Neutron Scattering Curves Using a Novel Method of Evaluation
journal, January 2001
- Schmiedel, Herbert; Jörchel, Peter; Kiselev, Mikael
- The Journal of Physical Chemistry B, Vol. 105, Issue 1
Simulation-Based Methods for Interpreting X-Ray Data from Lipid Bilayers
journal, April 2006
- Klauda, Jeffery B.; Kučerka, Norbert; Brooks, Bernard R.
- Biophysical Journal, Vol. 90, Issue 8
Structure of lipid bilayers
journal, November 2000
- Nagle, John F.; Tristram-Nagle, Stephanie
- Biochimica et Biophysica Acta (BBA) - Reviews on Biomembranes, Vol. 1469, Issue 3
KWS-1: Small-angle scattering diffractometer
journal, June 2015
- Frielinghaus, Henrich; Feoktystov, Artem; Berts, Ida
- Journal of large-scale research facilities JLSRF, Vol. 1
ATSAS 2.1 – towards automated and web-supported small-angle scattering data analysis
journal, April 2007
- Petoukhov, Maxim V.; Konarev, Peter V.; Kikhney, Alexey G.
- Journal of Applied Crystallography, Vol. 40, Issue s1
Lipid Bilayer Asymmetry
book, January 2013
- Chiantia, Salvatore; London, Erwin
- Encyclopedia of Biophysics
Differential Modulation of Membrane Structure and Fluctuations by Plant Sterols and Cholesterol
journal, May 2008
- Hodzic, Aden; Rappolt, Michael; Amenitsch, Heinz
- Biophysical Journal, Vol. 94, Issue 10
Intermolecular Headgroup Interaction and Hydration as Driving Forces for Lipid Transmembrane Asymmetry
journal, March 2016
- Smolentsev, Nikolay; Lütgebaucks, Cornelis; Okur, Halil I.
- Journal of the American Chemical Society, Vol. 138, Issue 12
Curvature Effect on the Structure of Phospholipid Bilayers
journal, January 2007
- Kučerka, Norbert; Pencer, Jeremy; Sachs, Jonathan N.
- Langmuir, Vol. 23, Issue 3
Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering Data
journal, September 2008
- Kučerka, Norbert; Nagle, John F.; Sachs, Jonathan N.
- Biophysical Journal, Vol. 95, Issue 5
Structural information from multilamellar liposomes at full hydration: Full q -range fitting with high quality x-ray data
journal, September 2000
- Pabst, Georg; Rappolt, Michael; Amenitsch, Heinz
- Physical Review E, Vol. 62, Issue 3
Method of separated form factors for polydisperse vesicles
journal, May 2006
- Pencer, Jeremy; Krueger, Susan; Adams, Carl P.
- Journal of Applied Crystallography, Vol. 39, Issue 3
Thermal transitions of DMPG bilayers in aqueous solution: SAXS structural studies
journal, April 2001
- Riske, Karin A.; Amaral, Lia Q.; Lamy-Freund, M. Teresa
- Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 1511, Issue 2
Partial molecular volumes of lipids and cholesterol
journal, September 2006
- Greenwood, Alexander I.; Tristram-Nagle, Stephanie; Nagle, John F.
- Chemistry and Physics of Lipids, Vol. 143, Issue 1-2
Geometric packing constraints in egg phosphatidylcholine vesicles.
journal, January 1978
- Huang, C.; Mason, J. T.
- Proceedings of the National Academy of Sciences, Vol. 75, Issue 1
Molecular volumes of DOPC and DOPS in mixed bilayers of multilamellar vesicles
journal, January 2014
- Murugova, T. N.; Balgavý, P.
- Phys. Chem. Chem. Phys., Vol. 16, Issue 34
Preparation and Properties of Asymmetric Vesicles That Mimic Cell Membranes
journal, January 2009
- Cheng, Hui-Ting; London, Erwin
- Journal of Biological Chemistry, Vol. 284, Issue 10
Fluid phase lipid areas and bilayer thicknesses of commonly used phosphatidylcholines as a function of temperature
journal, November 2011
- Kučerka, Norbert; Nieh, Mu-Ping; Katsaras, John
- Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 1808, Issue 11
Structure and interactive properties of highly fluorinated phospholipid bilayers
journal, October 1996
- McIntosh, T. J.; Simon, S. A.; Vierling, P.
- Biophysical Journal, Vol. 71, Issue 4
Specific volumes of unsaturated phosphatidylcholines in the liquid crystalline lamellar phase
journal, August 2005
- Koenig, Bernd W.; Gawrisch, Klaus
- Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 1715, Issue 1
New developments in the ATSAS program package for small-angle scattering data analysis
journal, March 2012
- Petoukhov, Maxim V.; Franke, Daniel; Shkumatov, Alexander V.
- Journal of Applied Crystallography, Vol. 45, Issue 2
Asymmetric Lipid Membranes: Towards More Realistic Model Systems
journal, May 2015
- Marquardt, Drew; Geier, Barbara; Pabst, Georg
- Membranes, Vol. 5, Issue 2
The synthesis of a perdeuterated phospholipid: 1,2-dimyristoyl-sn-glycero-3-phosphocholine-d72
journal, May 1979
- Kingsley, P. B.; Feigenson, G. W.
- Chemistry and Physics of Lipids, Vol. 24, Issue 2
Versatile sample environments and automation for biological solution X-ray scattering experiments at the P12 beamline (PETRA III, DESY)
journal, March 2015
- Blanchet, Clement E.; Spilotros, Alessandro; Schwemmer, Frank
- Journal of Applied Crystallography, Vol. 48, Issue 2
Differential Evolution – A Simple and Efficient Heuristic for global Optimization over Continuous Spaces
journal, January 1997
- Storn, Rainer; Price, Kenneth
- Journal of Global Optimization, Vol. 11, Issue 4, p. 341-359
Applications of neutron and X-ray scattering to the study of biologically relevant model membranes
journal, June 2010
- Pabst, G.; Kučerka, N.; Nieh, M. -P.
- Chemistry and Physics of Lipids, Vol. 163, Issue 6
Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure
journal, February 1992
- Wiener, M. C.; White, S. H.
- Biophysical Journal, Vol. 61, Issue 2
X-ray scattering from unilamellar lipid vesicles
journal, January 2005
- Brzustowicz, Michael R.; Brunger, Axel T.
- Journal of Applied Crystallography, Vol. 38, Issue 1
Structure Analysis by Small-Angle X-Ray and Neutron Scattering
book, January 1987
- Feigin, L. A.; Svergun, D. I.
The asymmetric distribution of phospholipids in the human red cell membrane. A combined study using phospholipases and freeze-etch electron microscopy
journal, October 1973
- Verkleij, A. J.; Zwaal, R. F. A.; Roelofsen, B.
- Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 323, Issue 2
Atomically detailed lipid bilayer models for the interpretation of small angle neutron and X-ray scattering data
journal, February 2015
- Fogarty, Joseph C.; Arjunwadkar, Mihir; Pandit, Sagar A.
- Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 1848, Issue 2
On scattered waves and lipid domains: detecting membrane rafts with X-rays and neutrons
journal, January 2015
- Marquardt, Drew; Heberle, Frederick A.; Nickels, Jonathan D.
- Soft Matter, Vol. 11, Issue 47
Subnanometer Structure of an Asymmetric Model Membrane: Interleaflet Coupling Influences Domain Properties
journal, May 2016
- Heberle, Frederick A.; Marquardt, Drew; Doktorova, Milka
- Langmuir, Vol. 32, Issue 20
Influence of cholesterol on the bilayer properties of monounsaturated phosphatidylcholine unilamellar vesicles
journal, July 2007
- Kučerka, N.; Pencer, J.; Nieh, M. -P.
- The European Physical Journal E, Vol. 23, Issue 3
Estimation of the location of natural α-tocopherol in lipid bilayers by 13C-NMR spectroscopy
journal, September 1985
- Perly, B.; Smith, I. C. P.; Hughes, L.
- Biochimica et Biophysica Acta (BBA) - Biomembranes, Vol. 819, Issue 1
Hexane dissolved in dioleoyllecithin bilayers has a partial molar volume of approximately zero
journal, August 1985
- King, Glen I.; Jacobs, Russell E.; White, Stephen H.
- Biochemistry, Vol. 24, Issue 17
Static and dynamic lipid asymmetry in cell membranes
journal, February 1991
- Devaux, Philippe F.
- Biochemistry, Vol. 30, Issue 5
Works referencing / citing this record:
Complex biomembrane mimetics on the sub-nanometer scale
journal, July 2017
- Heberle, Frederick A.; Pabst, Georg
- Biophysical Reviews, Vol. 9, Issue 4
Preparation of asymmetric phospholipid vesicles for use as cell membrane models
journal, September 2018
- Doktorova, Milka; Heberle, Frederick A.; Eicher, Barbara
- Nature Protocols, Vol. 13, Issue 9
Transverse lipid organization dictates bending fluctuations in model plasma membranes
journal, January 2020
- Rickeard, Brett W.; Nguyen, Michael H. L.; DiPasquale, Mitchell
- Nanoscale, Vol. 12, Issue 3
BILMIX : a new approach to restore the size polydispersity and electron density profiles of lipid bilayers from liposomes using small-angle X-ray scattering data
journal, February 2020
- Konarev, Petr V.; Petoukhov, Maxim V.; Dadinova, Liubov A.
- Journal of Applied Crystallography, Vol. 53, Issue 1