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

Biophysical Journal

Volumn 85, Issue 1, 2003, Pages 236-244

  Zhu, Fangqiang ^a   Schulten, Klaus ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; ION CHANNEL; NANOTUBE; PROTON; WATER;

ARTICLE; ATOM; CALCULATION; CONDUCTANCE; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; NANOTECHNOLOGY; SIMULATION; THEORY; THERMODYNAMICS;

EID: 0037861907     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0006-3495(03)74469-5     Document Type: Article

References (28)

1. Berezhkovskii, A., and G. Hummer. 2002. Single-file transport of water molecules through a carbon nanotube. Phys. Rev. Lett. 89:064503.
2. Borgnia, M., S. Nielsen, A. Engel, and P. Agre. 1999. Cellular and molecular biology of the aquaporin water channels. Annu. Rev. Biochem. 68:425-458.
3. Branden, C., and J. Tooze. 1991. Introduction to Protein Structure. Garland Publishing, New York and London.
4. Brünger, A., Z. Schulten, and K. Schulten. 1983. A network thermodynamic investigation of stationary and non-stationary proton transport through proteins. Z. Phys. Chem. NF136:1-63.
5. de Groot, B. L., and H. Grubmüller. 2001. Water permeation across biological membranes: mechanism and dynamics of aquaporin-I and GlpF. Science. 294:2353-2357.
6. Dresselhaus, M. S., G. Dresselhaus, and P. C. Eklund. 1996. Science of Fullerenes and Carbon Nanotubes. Academic Press, San Diego, CA.
7. Essmann, U., L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen. 1995. A smooth particle mesh Ewald method. J. Chem. Phys. 103:8577-8593.
8. Fu, D., A. Libson, L. J. W. Miercke, C. Weitzman, P. Nollert, J. Krucinski, and R. M. Stroud. 2000. Structure of a glycerol conducting channel and the basis for its selectivity. Science. 290:481-486.
9. Guillot, B. 2002. A reappraisal of what we have learnt during three decades of computer simulations on water. J. Mol. Liq. 101:219-260.
10. Hummer, G., J. C. Rasaiah, and J. P. Noworyta. 2001. Water conduction through the hydrophobic channel of a carbon nanotube. Nature. 414:188-190.
11. Humphrey, W., A. Dalke, and K. Schulten. 1996. VMD - Visual molecular dynamics. J. Mol. Graph. 14:33-38.
12. Iijima, S. 1991. Helical microtubules of graphitic carbon. Nature. 354:56-58.
13. Jorgensen, W. L., J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein. 1983. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 79:926-935.
14. Kalé, L., R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz, J. Phillips, A. Shinozaki, K. Varadarajan, and K. Schulten. 1999. NAMD2: greater scalability for parallel molecular dynamics. J. Comp. Phys. 151:283-312.
15. Kalra, A., S. Garde, and G. Hummer. 2003. Osmotic water transport through carbon nanotube arrays. Proc. Natl. Acad. Sci. USA. In press.
16. MacKerell, A. D., Jr., D. Bashford, M. Bellott, R. L. Dunbrack, Jr., J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha. D. Joseph, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher III, B. Roux, M. Schlenkrich, J. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, and M. Karplus. 1998. All-hydrogen empirical potential for molecular modeling and dynamics studies of proteins using the CHARMM22 force field. J. Phys. Chem. B. 102:3586-3616.
17. Miller, S. A., V. Y. Young, and C. R. Martin. 2001. Electroosmotic flow in template-prepared carbon nanotube membranes. J. Am. Chem. Soc. 123:12335-12342.
18. Murata, K., K. Mitsuoka, T. Hirai, T. Walz, P. Agre, J. B. Heymann, A. Engel, and Y. Fujiyoshi. 2000. Structural determinants of water permeation through aquaporin-1. Nature. 407:599-605.
19. Noon, W. H., K. D. Ausman, R. E. Smalley, and J. Ma. 2002. Helical ice-sheets inside carbon nanotubes in the physiological condition. Chem. Phys. Lett. 355:445-448.
20. O'Connell, M. J., S. M. Bachilo, C. B. Huffman, V. C. Moore, M. S. Strano, E. H. Haroz, K. L. Rialon, P. J. Boul, W. H. Noon, C. Kittrell, J. Ma, R. H. Hauge, R. B. Weisman, and R. E. Smalley. 2002. Band gap fluorescence from individual single-walled carbon nanotubes. Science. 297:593-596.
21. + conduction along hydrogen-bonded chains of water molecules. Biophys. J. 75:33-40.
22. + conduction in the single-file water chain of the gramicidin channel. Biophys. J. 82:2304-2316.
23. Schulten, Z., and K. Schulten. 1985. Model for the resistance of the proton channel formed by the proteolipid of ATPase. Eur. Biophys. J. 11:149-155.
24. Schulten, Z., and K. Schulten. 1986. Proton conduction through proteins: an overview of theoretical principles and applications. Meth. Enzym. 127:419-438.
25. Sui, H., B.-G. Han, J. K. Lee, P. Walian, and B. K. Jap. 2001. Structural basis of water-specific transport through the AQP1 water channel. Nature. 414:872-878.
26. Tajkhorshid, E., P. Nollert, M. Ø. Jensen, L. J. W. Miercke, J. O'Connell, R. M. Stroud, and K. Schulten. 2002. Control of the selectivity of the aquaporin water channel family by global orientational tuning. Science. 296:525-530.
27. Vasenkov, S., and J. Kärger. 2002. Different time regimes of tracer exchange in single-file systems. Phys. Rev. E. 66:052601.
28. Wind, S. J., J. Appenzeller, R. Martel, V. Derycke, and P. Avouris. 2002. Vertical scaling of carbon nanotube field-effect transistors using top gate electrodes. Appl. Phys. Lett. 80:3817-3819.