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• W1969337788 abstract "We employ 50 ns molecular dynamics simulations to study the distribution, orientation, and dynamics of 1,6-diphenyl-1,3,5-hexatriene (DPH) fluorescent probes in a dipalmitoylphosphatidylcholine (DPPC) bilayer. We find no evidence for clustering of DPH molecules, and our results show that DPH does not prefer to be embedded in the membrane center where free volume is largest. Rather, DPH prefers to be accommodated in the hydrophobic acyl chain region of DPPC, oriented such that the long axis of DPH along its rodlike shape is approximately aligned in the direction of the bilayer normal, thus reflecting the ordering of lipid acyl chains. These conclusions are supported by further studies of radial distribution functions indicating DPH to be located beside the lipid acyl chains. Studies of DPH dynamics in DPPC bilayers reveal a number of rare events, including flip-flops of DPH molecules from one leaflet to another, their rotational diffusion whose time scale can be compared with that found through experiments, and the lateral diffusion of DPH in the plane of the bilayer. For lateral diffusion of DPH, we consider its diffusion mechanism and find that to take place through jumps from one void to another. In all, our results are in favor of using DPH for probing lipid membranes." @default.
• W1969337788 created "2016-06-24" @default.
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• W1969337788 date "2004-08-10" @default.
• W1969337788 modified "2023-10-11" @default.
• W1969337788 title "Distribution, Orientation, and Dynamics of DPH Probes in DPPC Bilayer" @default.
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• W1969337788 doi "https://doi.org/10.1021/jp048381g" @default.
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