Diameter Selectivity of Protein Encapsulation in Carbon Nanotubes

被引:39
|
作者
Kang, Yu [1 ]
Wang, Qi [1 ]
Liu, Ying-Chun [1 ]
Shen, Jia-Wei [1 ]
Wu, Tao [1 ]
机构
[1] Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2010年 / 114卷 / 08期
基金
中国国家自然科学基金;
关键词
STEERED MOLECULAR-DYNAMICS; MEAN FORCE; TRANSPORTERS; SIMULATIONS; POTENTIALS; MECHANISM; AMYLOSE; CHANNEL; HELICES; CELLS;
D O I
10.1021/jp905995s
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Biomolecular-carbon nanotube (CNT) complexes are of great importance in biological and biomedical devices, and recently spontaneous encapsulation of biomolecules into CNTs has attracted great interest. In this work, we explored the diameter selectivity of the protein encapsulation in CNTs via molecular dynamics simulations, and the free energy changes of the systems were calculated for mechanism exploration. It is proved that there is an optimal tube size which provides the most effective encapsulation for a given protein molecule, and the encapsulations in the overlarge and overcrowded tubes are hindered by different factors based on the analysis of system energy contribution. In addition, the significance of the solvents for the system is also of concern.
引用
收藏
页码:2869 / 2875
页数:7
相关论文
共 50 条
  • [31] Electronic correlations of small diameter carbon nanotubes
    Perfetto, E.
    Gonzalez, J.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (33) : S2105 - S2114
  • [32] Diameter dependence of addition reactions to carbon nanotubes
    Mueller, M.
    Maultzsch, J.
    Wunderlich, D.
    Hirsch, A.
    Thomsen, C.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2008, 245 (10): : 1957 - 1960
  • [33] THE EFFECT OF THE DIAMETER ON THE SPECIFIC HEAT OF CARBON NANOTUBES
    Jafari, Mahmoud
    Vaezzadeh, Majid
    Oskoei, Leila Bohloli
    INTERNATIONAL JOURNAL OF NANOSCIENCE, 2009, 8 (1-2) : 35 - 38
  • [34] Diameter-dependent hydrophobicity in carbon nanotubes
    Kyakuno, Haruka
    Fukasawa, Mamoru
    Ichimura, Ryota
    Matsuda, Kazuyuki
    Nakai, Yusuke
    Miyata, Yasumitsu
    Saito, Takeshi
    Maniwa, Yutaka
    JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (06):
  • [35] Excitons in carbon nanotubes: Diameter and chirality trends
    Capaz, Rodrigo B.
    Spataru, Catalin D.
    Ismail-Beigi, Sohrab
    Louie, Steven G.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2007, 244 (11): : 4016 - 4020
  • [37] Enhanced encapsulation of metoprolol tartrate with carbon nanotubes as adsorbent
    Garala K.
    Patel J.
    Patel A.
    Dharamsi A.
    Applied Nanoscience, 2011, 1 (4) : 219 - 230
  • [38] The encapsulation of CdS in carbon nanotubes for stable and efficient photocatalysis
    Cui, Xiaofeng
    Wang, Yajun
    Jiang, Guiyuan
    Zhao, Zhen
    Xu, Chunming
    Duan, Aijun
    Liu, Jian
    Wei, Yuechang
    Bai, Weikun
    JOURNAL OF MATERIALS CHEMISTRY A, 2014, 2 (48) : 20939 - 20946
  • [39] Encapsulation of single-molecule magnets in carbon nanotubes
    Maria del Carmen Giménez-López
    Fabrizio Moro
    Alessandro La Torre
    Carlos J. Gómez-García
    Paul D. Brown
    Joris van Slageren
    Andrei N. Khlobystov
    Nature Communications, 2
  • [40] Modelling the encapsulation of the anticancer drug cisplatin into carbon nanotubes
    Hilder, Tamsyn A.
    Hill, James M.
    NANOTECHNOLOGY, 2007, 18 (27)