Journal
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
Volume 1838, Issue 11, Pages 2966-2969Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.bbamem.2014.08.009
Keywords
Lipid bilayer structure; SANS; SAXS; MD simulations; PG lipid; Hydrogen exchange
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Funding
- Scientific User Facilities Division of the DOE Office of Basic Energy Sciences (BES)
- Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL) [DE-AC05-00OR2275]
- University of South Florida
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We recently published two papers detailing the structures of fluid phase phosphatidylglycerol (PG) lipid bilayers (Kucerka et al., 20121 Phys. Chem. B 116: 232-239; Pan et al., 2012 Biochim. Biophys. Acta Biomembr. 1818: 2135-2148), which were determined using the scattering density profile model. This hybrid experimental/computational technique utilizes molecular dynamics simulations to parse a lipid bilayer into components whose volume probabilities follow simple analytical functional forms. Given the appropriate scattering densities, these volume probabilities are then translated into neutron scattering length density (NSLD) and electron density (ED) profiles, which are used to jointly refine experimentally obtained small angle neutron and X-ray scattering data. However, accurate NSLD and ED profiles can only be obtained if the bilayer's chemical composition is known. Specifically, in the case of neutron scattering, the lipid's exchangeable hydrogens with aqueous D2O must be accounted for, as they can have a measureable effect on the resultant lipid bilayer structures. This was not done in our above-mentioned papers. Here we report on the molecular structures of PG lipid bilayers by appropriately taking into account the exchangeable hydrogens. Analysis indicates that the temperature-averaged PG lipid areas decrease by 15 to 3.8 angstrom(2), depending on the lipid's acyl chain length and unsaturation, compared to PG areas when hydrogen exchange was not taken into account. (C) 2014 Elsevier B.V. All rights reserved.
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