Model-based approaches for the determination of lipid bilayer structure from small-angle neutron and X-ray scattering data.

European Biophysics Journal : EBJ
Frederick A HeberleJohn Katsaras

Abstract

Some of our recent work has resulted in the detailed structures of fully hydrated, fluid phase phosphatidylcholine (PC) and phosphatidylglycerol (PG) bilayers. These structures were obtained from the joint refinement of small-angle neutron and X-ray data using the scattering density profile (SDP) models developed by Kučerka et al. (Biophys J 95:2356-2367, 2008; J Phys Chem B 116:232-239, 2012). In this review, we first discuss models for the standalone analysis of neutron or X-ray scattering data from bilayers, and assess the strengths and weaknesses inherent to these models. In particular, it is recognized that standalone data do not contain enough information to fully resolve the structure of naturally disordered fluid bilayers, and therefore may not provide a robust determination of bilayer structure parameters, including the much-sought-after area per lipid. We then discuss the development of matter density-based models (including the SDP model) that allow for the joint refinement of different contrast neutron and X-ray data, as well as the implementation of local volume conservation within the unit cell (i.e., ideal packing). Such models provide natural definitions of bilayer thicknesses (most importantly the hydrophobic a...Continue Reading

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Citations

Mar 23, 2013·Chemistry and Physics of Lipids·Jianjun PanJohn Katsaras
Apr 26, 2013·The Journal of Physical Chemistry. B·Alexander Kyrychenko, Alexey S Ladokhin
Jan 26, 2016·Biochimica Et Biophysica Acta·O H Samuli Ollila, Georg Pabst
Aug 5, 2015·Chemistry and Physics of Lipids·F A HeberleJ Katsaras
Aug 2, 2015·Chemistry and Physics of Lipids·A M Whited, A Johs
May 27, 2014·Biochimica Et Biophysica Acta·Caroline Koshy, Christine Ziegler
Jun 10, 2014·Journal of Chemical Theory and Computation·Michael D DailyNathan A Baker
Jul 19, 2017·Biophysics Reviews·Frederick A Heberle, Georg Pabst
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Aug 8, 2020·Proceedings of the National Academy of Sciences of the United States of America·Frederick A HeberleIlya Levental
Dec 16, 2020·International Journal of Molecular Sciences·Małgorzata Zienkiewicz-Strzałka, Anna Deryło-Marczewska
Feb 14, 2019·Biophysical Journal·Milka DoktorovaOlaf S Andersen
Oct 7, 2019·Biophysical Journal·Haden L ScottFrederick A Heberle
Apr 26, 2018·Biophysical Journal·Karlo KomorowskiTim Salditt
May 15, 2021·Frontiers in Chemistry·Jacob J KinnunJohn Katsaras
Jul 6, 2020·Chemistry and Physics of Lipids·Catherine CheuMu-Ping Nieh
Jul 9, 2021·Soft Matter·Sudipta Gupta, Rana Ashkar
Dec 10, 2016·Langmuir : the ACS Journal of Surfaces and Colloids·Birte Martin-BertelsenCamilla Foged
Jun 16, 2015·The Journal of Physical Chemistry. B·Agustín Mangiarotti, Natalia Wilke
Dec 29, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Giulio TeseiMikael Lund
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Sep 14, 2020·Methods : a Companion to Methods in Enzymology·Jakob AnderssonWolfgang Knoll
Sep 28, 2021·Biophysical Journal·Aislyn Lewis-LaurentDrew Marquardt

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