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支撑脂质双层膜形态相图的理论研究

A theoretical study on the morphological phase diagram of supported lipid bilayers.

作者信息

Kong Xian, Lu Diannan, Wu Jianzhong, Liu Zheng

机构信息

Key Laboratory of Industrial Biocatalysis, Chinese Ministry of Education and Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.

出版信息

Phys Chem Chem Phys. 2017 Jun 28;19(25):16897-16903. doi: 10.1039/c7cp03383d.

Abstract

Supported lipid bilayers (SLBs) have been widely used in drug delivery, biosensors and biomimetic membranes. The microscopic mechanism of SLB formation and stability depends on a number of factors underlying solvent-mediated lipid-lipid and lipid-substrate interactions. Whereas recent years have witnessed remarkable progress in understanding the kinetics of SLB formation, relatively little is known about the lipid phase behavior controlling the SLB stability under diverse solution conditions. In this work, we examine the structure of SLBs using classical density functional theory (CDFT) in the context of a coarse-grained model that accounts for ion-explicit electrostatic interactions, surface hydrophobicity, as well as the molecular characteristics of the lipid tails. A morphological phase diagram is constructed in terms of various intrinsic properties of lipid molecules (such as the lipid tail length, size and charge of the lipid head segments), substrate conditions (such as the surface charge density and hydrophobicity), and solution parameters (such as the ion concentration and ion type). The morphological phase diagram provides useful insights into the rational design and broader application of SLB membranes as different types of nano-devices.

摘要

支撑脂质双层(SLBs)已广泛应用于药物递送、生物传感器和仿生膜领域。SLB形成和稳定性的微观机制取决于许多溶剂介导的脂质-脂质和脂质-底物相互作用的潜在因素。尽管近年来在理解SLB形成动力学方面取得了显著进展,但对于在不同溶液条件下控制SLB稳定性的脂质相行为却知之甚少。在这项工作中,我们在一个粗粒度模型的背景下,使用经典密度泛函理论(CDFT)研究了SLB的结构,该模型考虑了离子明确的静电相互作用、表面疏水性以及脂质尾部的分子特征。根据脂质分子的各种固有特性(如脂质尾部长度、脂质头部片段的大小和电荷)、底物条件(如表面电荷密度和疏水性)以及溶液参数(如离子浓度和离子类型)构建了形态相图。该形态相图为SLB膜作为不同类型纳米器件的合理设计和更广泛应用提供了有用的见解。

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