Electrostatic gating of a nanometer water channel Export

@article{citeulike:5951933, abstract = {10.1073/pnas.0604541104 Water permeation across a single-walled carbon nanotube (SWNT) under the influence of a mobile external charge has been studied with molecular dynamics simulations. This designed nanopore shows an excellent on\^{a}off gating behavior by a single external charge (of value +1.0e): it is both sensitive to the available charge signal when it is close (less than a critical distance of 0.85 \~{A} or about half the size of a water molecule) and effectively resistant to charge noise, i.e., the effect on the flow and net flux across the channel is found to be negligible when the charge is >0.85 \~{A} away from the wall of the nanopore. This critical distance can be estimated from the interaction balance for the water molecule in the SWNT closest to the imposed charge with its neighboring water molecules and with the charge. The flow and net flux decay exponentially with respect to the difference between these two interaction energies when the charge gets closer to the wall of the SWNT and reaches a very small value once the charge crosses the wall, suggesting a dominating effect on the permeation properties from local water molecules near the external charge. These findings might have biological implications because membrane water channels share a similar single-file water chain inside these nanoscale channels.}, author = {Li, Jingyuan and Gong, Xiaojing and Lu, Hangjun and Li, Ding and Fang, Haiping and Zhou, Ruhong}, citeulike-article-id = {5951933}, citeulike-linkout-0 = {http://dx.doi.org/10.1073/pnas.0604541104}, citeulike-linkout-1 = {http://www.pnas.org/content/104/10/3687.abstract}, citeulike-linkout-2 = {http://www.pnas.org/content/104/10/3687.full.pdf}, citeulike-linkout-3 = {http://view.ncbi.nlm.nih.gov/pubmed/17360413}, citeulike-linkout-4 = {http://www.hubmed.org/display.cgi?uids=17360413}, citeulike-linkout-5 = {http://dx.doi.org/10.1073/pnas.0604541104}, day = {6}, doi = {10.1073/pnas.0604541104}, journal = {Proceedings of the National Academy of Sciences}, keywords = {nanopumps, nanotubes}, month = {March}, number = {10}, pages = {3687--3692}, posted-at = {2009-10-16 15:46:30}, priority = {2}, title = {Electrostatic gating of a nanometer water channel}, url = {http://dx.doi.org/10.1073/pnas.0604541104}, volume = {104}, year = {2007} }

TY - JOUR ID - citeulike:5951933 L3 - citeulike-article-id:5951933 N2 - 10.1073/pnas.0604541104 Water permeation across a single-walled carbon nanotube (SWNT) under the influence of a mobile external charge has been studied with molecular dynamics simulations. This designed nanopore shows an excellent onâoff gating behavior by a single external charge (of value +1.0e): it is both sensitive to the available charge signal when it is close (less than a critical distance of 0.85 Ã or about half the size of a water molecule) and effectively resistant to charge noise, i.e., the effect on the flow and net flux across the channel is found to be negligible when the charge is >0.85 Ã away from the wall of the nanopore. This critical distance can be estimated from the interaction balance for the water molecule in the SWNT closest to the imposed charge with its neighboring water molecules and with the charge. The flow and net flux decay exponentially with respect to the difference between these two interaction energies when the charge gets closer to the wall of the SWNT and reaches a very small value once the charge crosses the wall, suggesting a dominating effect on the permeation properties from local water molecules near the external charge. These findings might have biological implications because membrane water channels share a similar single-file water chain inside these nanoscale channels. IS - 10 JF - Proceedings of the National Academy of Sciences EP - 3692 TI - Electrostatic gating of a nanometer water channel VL - 104 SP - 3687 KW - nanopumps KW - nanotubes AU - Li, Jingyuan AU - Gong, Xiaojing AU - Lu, Hangjun AU - Li, Ding AU - Fang, Haiping AU - Zhou, Ruhong PY - 2007/03/06/ UR - http://dx.doi.org/10.1073/pnas.0604541104 ER -