Water and proton conduction through carbon nanotubes as models for biological channels

被引:278
作者
Zhu, FQ [1 ]
Schulten, K [1 ]
机构
[1] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA
关键词
D O I
10.1016/S0006-3495(03)74469-5
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
Carbon nanotubes, unmodified (pristine) and modified through charged atoms, were simulated in water, and their water conduction rates determined. The conducted water inside the nanotubes was found to exhibit a strong ordering of its dipole moments. In pristine nanotubes the water dipoles adopt a single orientation along the tube axis with a low flipping rate between the two possible alignments. Modification can induce in nanotubes a bipolar ordering as previously observed in biological water channels. Network thermodynamics was applied to investigate proton conduction through the nanotubes.
引用
收藏
页码:236 / 244
页数:9
相关论文
共 28 条
  • [1] Single-file transport of water molecules through a carbon nanotube
    Berezhkovskii, A
    Hummer, G
    [J]. PHYSICAL REVIEW LETTERS, 2002, 89 (06) : 064503/1 - 064503/4
  • [2] Cellular and molecular biology of the aquaporin water channels
    Borgnia, M
    Nielsen, S
    Engel, A
    Agre, P
    [J]. ANNUAL REVIEW OF BIOCHEMISTRY, 1999, 68 : 425 - 458
  • [3] BRUNGER A, 1983, Z PHYS CHEM NEUE FOL, V136, P1
  • [4] Water permeation across biological membranes:: Mechanism and dynamics of aquaporin-1 and GlpF
    de Groot, BL
    Grubmüller, H
    [J]. SCIENCE, 2001, 294 (5550) : 2353 - 2357
  • [5] Dresselhaus M. S., 1996, SCI FULLERENES CARBO
  • [6] A SMOOTH PARTICLE MESH EWALD METHOD
    ESSMANN, U
    PERERA, L
    BERKOWITZ, ML
    DARDEN, T
    LEE, H
    PEDERSEN, LG
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (19) : 8577 - 8593
  • [7] Structure of a glycerol-conducting channel and the basis for its selectivity
    Fu, DX
    Libson, A
    Miercke, LJW
    Weitzman, C
    Nollert, P
    Krucinski, J
    Stroud, RM
    [J]. SCIENCE, 2000, 290 (5491) : 481 - 486
  • [8] A reappraisal of what we have learnt during three decades of computer simulations on water
    Guillot, B
    [J]. JOURNAL OF MOLECULAR LIQUIDS, 2002, 101 (1-3) : 219 - 260
  • [9] Water conduction through the hydrophobic channel of a carbon nanotube
    Hummer, G
    Rasaiah, JC
    Noworyta, JP
    [J]. NATURE, 2001, 414 (6860) : 188 - 190
  • [10] VMD: Visual molecular dynamics
    Humphrey, W
    Dalke, A
    Schulten, K
    [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1996, 14 (01) : 33 - 38