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Determining bilayer hydrocarbon thickness from neutron diffraction measurements using strip-function models.

机译:使用带状函数模型通过中子衍射测量确定双层碳氢化合物厚度。

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摘要

Neutron diffraction methods provide information about the distribution of matter in biological and model membrane systems. The information is derived from plots (profiles) of scattering length density along an axis normal to the membrane plane. Without the use of specific deuteration, the generally low resolution of the profiles limits their interpretation in terms of specific chemical constituents (e.g., lipid headgroup, lipid hydrocarbon, protein, and water). A fundamental and useful structural assignment to make is the boundary between the headgroup and hydrocarbon regions of bilayers. We demonstrate here that strip-function model representations of neutron scattering length density profiles of bilayers are sufficient to determine accurately the position of the headgroup-hydrocarbon boundary. The resulting hydrocarbon thickness of the bilayer is useful for determining the area per lipid molecule and consequently the molecular packing arrangements of the membrane constituents. We analyze data obtained from dioleoylphosphatidylcholine (DOPC) bilayers at 66% RH using standard Fourier profile analyses and from DOPC deuterated specifically at the C-2 carbon of the acyl chains using difference Fourier analysis. We demonstrate that strip-function models accurately define the positions of the C-2 carbons and thus the hydrocarbon thickness (dhc) of the bilayer. We then show, using quasi-molecular models, that the strip-model analysis probably provides an accurate measure of dhc because of the exceptionally high scattering length density difference between the carbonyl and methylene groups.
机译:中子衍射方法提供有关物质在生物膜系统和模型膜系统中的分布的信息。该信息来自沿垂直于膜平面的轴的散射长度密度的图(轮廓)。在不使用特定氘的情况下,概况的较低分辨率限制了它们对特定化学成分(例如脂头基,脂烃,蛋白质和水)的解释。进行的基本且有用的结构分配是双层的头基和烃区域之间的边界。我们在这里证明双层的中子散射长度密度分布的带状函数模型表示足以准确确定头基-烃边界的位置。双层的所得烃厚度可用于确定每个脂质分子的面积,从而确定膜成分的分子堆积布置。我们使用标准傅立叶分析法分析了在66%RH下从二油酰基磷脂酰胆碱(DOPC)双层中获得的数据,以及使用差异傅立叶分析从酰基链的C-2碳上专门氘化的DOPC中获得的数据。我们证明了带功能模型准确地定义了C-2碳的位置,从而确定了双层的碳氢化合物厚度(dhc)。然后,我们使用准分子模型表明,条带模型分析可能提供了dhc的准确测量值,因为羰基和亚甲基之间的散射长度密度差异非常大。

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