Abstract

Small-angle X-ray scattering is an important structural tool for studying biological membranes; however, interpretation of scattering data remains a challenging problem. In most cases, analysis makes it possible to determine some structural parameters and the electron density profile of lipid bilayers, but no methods providing more detailed information (e.g., about the structural organization of vesicles) have been proposed yet. An approach making it possible to determine the main integral characteristics of liposomes using small-angle scattering is presented in this study. Within this approach a quasi-atomic model of liposome is built from individual lipid molecules, which form a sphere or a hollow ellipsoid. The method has been implemented in a computer program, verified on experimental small-angle X-ray scattering data, and proposed to analyze the structure of lipid vesicles and their interactions with proteins.

中文翻译：

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脂质体建模的准原子方法

摘要

小角X射线散射是研究生物膜的重要结构工具。然而，散射数据的解释仍然是一个具有挑战性的问题。在大多数情况下，分析使确定脂质双层的某些结构参数和电子密度分布成为可能，但尚未提出提供更详细信息（例如，有关囊泡的结构组织）的方法。在这项研究中提出了一种方法，可以使用小角度散射确定脂质体的主要整体特征。在这种方法中，脂质体的准原子模型是由单个脂质分子构建的，这些脂质分子形成一个球形或空心椭圆体。该方法已在计算机程序中实现，并通过实验性小角度X射线散射数据进行了验证，