Probing the Structure of Lysozyme-Carbon-Nanotube Hybrids with Molecular Dynamics

被引：83
|
作者：
Calvaresi, Matteo [1 ]
Hoefinger, Siegfried [1 ]
Zerbetto, Francesco [1 ]
机构：
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
来源：
CHEMISTRY-A EUROPEAN JOURNAL | 2012年 / 18卷 / 14期
关键词：
carbon; lysozyme; molecular dynamics; nanotechnology; nanotubes; solvation; EGG-WHITE LYSOZYME; PROTEINS; WATER; RECOGNITION; PEPTIDE; DOCKING; SURFACE; FUNCTIONALIZATION; THERAPEUTICS; DISPERSIONS;
D O I：
10.1002/chem.201102703
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Lysozyme has been successfully used to solvate carbon nanotubes (CNT). Extensive molecular dynamics simulations show that 1) a favorite site of adsorption exists, 2) the proteintube interaction region is located far from the active site, 3) two protein helices act as a tweezer that grips the nanotube, 4) a localized protein re-arrangement hides the tube from the solvent, and 5) aminic and amidic moieties of lysozyme behave similarly to surfactants in the solvation of the tube.
引用
收藏
页码：4308 / 4313
页数：6
相关论文
共 50 条
  • [1] Probing the structure of DNA-carbon nanotube hybrids with molecular dynamics
    Johnson, Robert R.
    Johnson, A. T. Charlie
    Klein, Michael L.
    NANO LETTERS, 2008, 8 (01) : 69 - 75
  • [2] Molecular dynamics simulation of carbon nanotube structure
    Brodka, A.
    Koloczek, J.
    Burian, A.
    Dore, J. C.
    Hannon, A. C.
    Fonseca, A.
    JOURNAL OF MOLECULAR STRUCTURE, 2006, 792 : 78 - 81
  • [3] Geometry, Dynamics, and Electronic Structure of DNA-Carbon Nanotube Hybrids
    Utz, Nadine
    Meyer, Tim
    Rink, Gundi
    Orozco, Modesto
    Koslowski, Thorsten
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (20): : 11278 - 11282
  • [4] Dynamics of lysozyme structure network: Probing the process of unfolding
    Ghosh, Amit
    Brinda, K. V.
    Vishveshwara, Saraswathi
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2007, 24 (06): : 759 - 759
  • [5] Dynamics of lysozyme structure network: Probing the process of unfolding
    Ghosh, Amit
    Brinda, K. V.
    Vishveshwara, Saraswathi
    BIOPHYSICAL JOURNAL, 2007, 92 (07) : 2523 - 2535
  • [6] Preparation of lysozyme/carbon nanotube hybrids and their interactions at the nano-bio interface
    Wang, Chenxi
    Zhou, Xing
    Wang, Guosheng
    Wang, Dong
    Fang, Changqing
    Ru, Yan
    Hu, Jingbo
    Xie, Li
    PROGRESS IN ORGANIC COATINGS, 2022, 163
  • [7] Probing carbon nanotube-amino acid interactions in aqueous solution with molecular dynamics simulations
    He, Zhongjin
    Zhou, Jian
    CARBON, 2014, 78 : 500 - 509
  • [8] Structure and Dynamics of a Nonionic Surfactant Within a Carbon Nanotube Bundle by Molecular Dynamics Simulation
    Fatemi, S. Mahmood
    Foroutan, Masumeh
    JOURNAL OF COLLOID SCIENCE AND BIOTECHNOLOGY, 2013, 2 (01) : 40 - 44
  • [9] Effect of the Chemisorbed Molecular Structure on the Frequency of Carbon Nanotube Resonators: Molecular Dynamics Simulations
    Li, Ming-Lin
    Ye, Wei
    Chen, Yue
    Lin, Xue-Hui
    Wang, Wei-Dong
    Yang, Xiao-Xiang
    2013 8TH ANNUAL IEEE INTERNATIONAL CONFERENCE ON NANO/MICRO ENGINEERED AND MOLECULAR SYSTEMS (IEEE NEMS 2013), 2013, : 1299 - 1302
  • [10] Molecular Dynamics of Carbon Nanotube Bundles as Molecular Sieves
    Leal, Jose Fernando P.
    Azevedo, David L.
    Del Nero, Jordan
    JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2011, 11 (06) : 4934 - 4937
12345