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• W2156835500 abstract "Quantitative structures were obtained for the fully hydrated fluid phases of dioleoylphosphatidylcholine (DOPC) and dipalmitoylphosphatidylcholine (DPPC) bilayers by simultaneously analyzing x-ray and neutron scattering data. The neutron data for DOPC included two solvent contrasts, 50% and 100% D2O. For DPPC, additional contrast data were obtained with deuterated analogs DPPC_d62, DPPC_d13, and DPPC_d9. For the analysis, we developed a model that is based on volume probability distributions and their spatial conservation. The model's design was guided and tested by a DOPC molecular dynamics simulation. The model consistently captures the salient features found in both electron and neutron scattering density profiles. A key result of the analysis is the molecular surface area, A. For DPPC at 50°C A = 63.0 Å2, whereas for DOPC at 30°C A = 67.4 Å2, with estimated uncertainties of 1 Å2. Although A for DPPC agrees with a recently reported value obtained solely from the analysis of x-ray scattering data, A for DOPC is almost 10% smaller. This improved method for determining lipid areas helps to reconcile long-standing differences in the values of lipid areas obtained from stand-alone x-ray and neutron scattering experiments and poses new challenges for molecular dynamics simulations." @default.
• W2156835500 created "2016-06-24" @default.
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• W2156835500 date "2008-09-01" @default.
• W2156835500 modified "2023-10-16" @default.
• W2156835500 title "Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering Data" @default.
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• W2156835500 doi "https://doi.org/10.1529/biophysj.108.132662" @default.
• W2156835500 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2517047" @default.
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