An Immunologically Modified Nanosystem Based on Noncovalent Binding Between Single-Walled Carbon Nanotubes and Glycated Chitosan.
An Immunologically Modified Nanosystem Based on Noncovalent Binding Between Single-Walled Carbon Nanotubes and Glycated Chitosan.
复制标题
DOI：
10.1177/1533033818802313
复制
发表时间：
2018-01-01
影响因子：
2.8
通讯作者：
Chen WR
中科院分区：
文献类型：
--
作者：
Saha LC;Nag OK;Doughty A;Liu H;Chen WR
功能化单壁碳纳米管目前正被探索作为蛋白质和治疗药物的新型运载工具来治疗各种疾病。为了使治疗效果最大化，单壁碳纳米管与其功能化分子之间的强结合是必要的。糖化壳聚糖是一种具有抗癌免疫刺激特性的聚合物，已被用作单壁碳纳米管的表面活性剂，以形成免疫修饰的生物医学纳米系统。在本研究中，我们利用分子动力学模拟研究了单壁碳纳米管与糖化壳聚糖的结合特性。分析了单壁碳纳米管-糖基壳聚糖体系的均方位移、旋转半径、相互作用能和径向分布函数。模拟结果表明，糖基化壳聚糖通过强的非共价相互作用与单壁碳纳米管结合。糖基化壳聚糖的长度增强了糖基化壳聚糖在单壁碳纳米管表面的稳定性，2分子的结合能与单壁碳纳米管的直径和手性密切相关，长聚合物、大单壁碳纳米管和扶手型单壁碳纳米管的结合形成了最稳定的糖基化单壁碳纳米管-糖基化壳聚糖体系。了解单壁碳纳米管和糖基化壳聚糖之间的相互作用以及单壁碳纳米管-糖基化壳聚糖的结构，可以对用于疾病诊断和治疗的新型纳米系统进行修改。
Functionalized single-walled carbon nanotubes are currently being explored as novel delivery vehicles for proteins and therapeutic agents to treat various diseases. In order to maximize treatment efficacy, a strong binding between single-walled carbon nanotubes and their functionalized molecules is necessary. Glycated chitosan, a polymer with potent immunostimulatory properties for cancer treatment, has been used as a surfactant of single-walled carbon nanotubes to form an immunologically modified nanosystem for biomedical applications. In this study, we investigated the binding characteristics of single-walled carbon nanotube and glycated chitosan using molecular dynamics simulations. The mean square displacement, radius of gyration, interaction energy, and radial distribution function of the single-walled carbon nanotube-glycated chitosan system were analyzed. The results from the simulations demonstrated that glycated chitosan was bound to single-walled carbon nanotubes by a strong, noncovalent interaction. The stability of glycated chitosan on the single-walled carbon nanotubes surface was enhanced by the length of glycated chitosan, and the binding energy of the 2 molecules was closely related to the diameter and chirality of single-walled carbon nanotubes, with the most stable single-walled carbon nanotube-glycated chitosan system being formed by the combination of long polymer, large single-walled carbon nanotube, and armchair single-walled carbon nanotube. The understanding of the interactions between single-walled carbon nanotube and glycated chitosan and the structure of single-walled carbon nanotube-glycated chitosan allows the modifications of the novel nanosystem for disease diagnostics and therapeutics.
登录
查看更多内容
影响因子：
3.3
作者：
Song S;Zhou F;Nordquist RE;Carubelli R;Liu H;Chen WR
通讯作者：
Chen WR
影响因子：
4.6
作者：
Minoia, Andrea;Chen, Liping;Lazzaroni, Roberto
通讯作者：
Lazzaroni, Roberto
影响因子：
13.1
作者：
Tsai, Jia-Lin;Tzeng, Shi-Hua;Chiu, Yu-Tsung
通讯作者：
Chiu, Yu-Tsung
影响因子：
2.9
作者：
HOOVER, WG
通讯作者：
HOOVER, WG
影响因子：
64.8
作者：
IIJIMA, S
通讯作者：
IIJIMA, S