磷脂金纳米棒复合体系的自组装形貌研究

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• 英文论文题名：Self-Assembly of Gold Nanorods Coated with Phospholipids:A Coarse-Grained Molecular Simulation Study
• 论文作者：万明威 ; 高靓辉 ; 方维海
• 英文论文作者：Mingwei Wan ; Lianghui Gao ; Weihai Fang ; Department of Chemistry ; University of Beijing Normal University
• 年：2016
• 作者机构：北京师范大学;
• 论文关键词：金纳米棒 ; 自组装 ; 磷脂
• 会议召开时间：2016-07-01
• 会议录名称：中国化学会第30届学术年会摘要集-第十九分会：化学中的量子与经典动力学
• 语种：中文
• 分类号：O614.123;TB383.1
• 学会代码：ZGHY
• 会议名称：中国化学会第30届学术年会-第十九分会 ; 化学中的量子与经典动力学
• 会议地点：中国辽宁大连
• 主办单位：中国化学会
• 学会名称：中国化学会
• 页数：1
• 文件大小：181k
• 原文格式：D
• 会议级别：全国

摘要

金纳米棒的有序自组装结构有着新颖的物理性质和化学性质,深受人们关注。然而目前关于溶液中金纳米棒自组装行为的研究尚不充分。在本文中,我们将从模拟的角度,采用无水粗粒化的方法研究金纳米棒-磷脂复合体系的自组装行为。通过改变金纳米棒在磷脂中的初始浓度以及磷脂与金纳米棒之间的作用力强度,我们得到了一系列的聚集形貌。代表性的是环状形貌,金纳米棒以头碰头的方式首尾相连,具有很好的稳定性和足够大的比表面积。这些丰富多彩的形貌,包括稳定的环状和树枝状形貌、流动性好的囊泡类似物和膜类似物形貌、以及冻结的团簇和堆积形貌,可以合并成以初始浓度和作用强度为横纵坐标的二维相图,有助于实验上新的聚集相的发现,为表面修饰物的挑选提供参考。
Ordered assembly nanostructures of gold nanorod(GNR)s have attracted people's attention with their novel physical and chemical properties. However, the self-assembly behavior of GNRs in solution has not been fully investigated by experiment or simulation yet. In this paper, we adopted a solvent-free coarse-grained simulation method to simulate the assembly behaviors of GNRs-lipids composites. Changing initial conditions like GNRs/lipids molar ratio(C_(GNR)) and interaction strength(D factor) between rod surface and lipid head groups, we observed generally six morphologies. A representative ring structure is frequently observed with its GNR components interacting with adjacent members in an end-to-end manner to have considerable stability and large specific surface area. These rich structures including stable rings and branches, flowing vesicle analogues and membrane analogues, freezing clusters and stacks can be classified to a 2D phase diagram with respect to D factor and molar ratio. The discovery of these new self-assembled phases provides useful information for surface modification agent of the GNRs and corresponding self-assembling behaviors.

引文

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