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Collective Chain Dynamics in Lipid Bilayers by Inelastic X-Ray Scattering

机译:脂质双层中非弹性X射线散射的集体链动力学

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摘要

We investigated the application of inelastic x-ray scattering (IXS) to lipid bilayers. This technique directly measures the dynamic structure factor S(q,ω) which is the space-time Fourier transform of the electron density correlation function of the measured system. For a multiatomic system, the analysis of S(q,ω) is usually complicated. But for multiple bilayers of lipid, S(q,ω) is dominated by chain-chain correlations within individual bilayers. Thus IXS provides a unique probe for the collective dynamics of lipid chains in a bilayer that cannot be obtained by any other method. IXS of dimyristoyl phosphatidylcholine and dimyristoyl phosphatidylcholine + cholesterol at two different concentrations were measured. S(q,ω) was analyzed by three-mode hydrodynamic equations, including a thermal diffusive mode and two propagating acoustic modes. We obtained the dispersion curves for the phonons that represent the collective in-plane excitations of lipid chains. The effect of cholesterol on chain dynamics was detected. Our analysis shows the importance of having a high instrument resolution as well as the requirement of sufficient signal-to-noise ratio to obtain meaningful results from such an IXS experiment. The requirement on signal-to-noise also applies to molecular dynamics simulations.
机译:我们调查了非弹性X射线散射(IXS)在脂质双层上的应用。该技术直接测量动态结构因子S(q,ω),它是被测系统电子密度相关函数的时空傅立叶变换。对于多原子系统,S(q,ω)的分析通常很复杂。但是对于脂质的多个双层,S(q,ω)由各个双层内的链-链相关性支配。因此,IXS为双层中脂质链的集体动力学提供了独特的探针,这是任何其他方法都无法获得的。测量了两种不同浓度的二肉豆蔻酰基磷脂酰胆碱和二肉豆蔻酰基磷脂酰胆碱+胆固醇的IXS。通过三模态流体动力学方程分析了S(q,ω),包括热扩散模态和两个传播声学模态。我们获得了声子的色散曲线,这些声子表示脂质链的集体面内激发。检测到胆固醇对链动力学的影响。我们的分析表明,具有高仪器分辨率的重要性以及对足够的信噪比的要求,以从这种IXS实验中获得有意义的结果。对信噪比的要求也适用于分子动力学模拟。

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