Controllable water channel gating of nanometer dimensions

COMP 175

Rongzheng Wan,, J. Li,, Hangjun Lu3, and Haiping Fang1. (1) Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai, China, (2) Department of Chemistry, Zhejiang University, 38 Zheda Road, Hangzhou, Zhejiang, People's Republic of China, Hangzhou, China, (3) Department of Physics, Zhejiang Normal University, Department of Physics, Zhejiang Normal University, 321004, Jinhua, China, Jinhua, China
The dynamics of water molecules in a single-walled carbon nanotube (SWNT) under continuous deformations was studied with molecular dynamics simulations. The flux and occupancy remain almost fixed within a deformation of 2.0 but decreases sharply for a further deformation of 0.6 . The nanopore is an excellent on-off gate that it is both effectively resistant to deformation noises and sensitive to available signals. Biological water channels are expected to share this advantage due to similar wavelike water distributions. The minimal external force required for triggering an open-close transition falls within the working range of many available experimental facilities, which provides possibility of developing SWNT-based nanoscale devices.

Poster Session -- Sponsored by Novartis Institutes for BioMedical Research
6:00 PM-8:00 PM, Tuesday, 30 August 2005 Washington DC Convention Center -- Hall A, Poster

8:00 PM-10:00 PM, Monday, 29 August 2005 Washington DC Convention Center -- Hall A, Sci-Mix

Division of Computers in Chemistry

The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005