Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 09 NOV 2010
Number of Citing Articles: 4 new records this week (4 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Nanopumping Molecules via a Carbon Nanotube
Authors:
Chen, M; Zang, J; Xiao, DQ; Zhang, C; Liu, F
Author Full Names:
Chen, Min; Zang, Ji; Xiao, Dingquan; Zhang, C.; Liu, Feng
Source:
NANO RESEARCH 2 (12): 938-944 DEC 2009
Language:
English
Document Type:
Article
Author Keywords:
Carbon nanotube; nanopumping; drug delivery; MD simualtion
KeyWords Plus:
ENCAPSULATED C-60; FIELD
Abstract:
We demonstrate the feasibility of using a carbon nanotube to nanopump molecules. Molecular dynamics simulations show that the transport and ejection of a C-20 molecule via a single-walled carbon nanotube (SWNT) can be achieved by a sustained mechanical actuation driven by two oscillating tips. The optimal condition for nanopumping is found when the tip oscillation frequency and magnitude correlate to form quasi steady-state mechanical wave propagation in the SWNT, so that the energy transfer process is optimal leading to maximal molecular translational motion and minimal rotational motion. Our finding provides a potentially useful mechanism for using an SWNT as a vehicle to deliver large drug molecules.
Reprint Address:
Liu, F, Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA.
Research Institution addresses:
[Chen, Min; Zang, Ji; Liu, Feng] Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA; [Chen, Min; Xiao, Dingquan] Sichuan Univ, Dept Mat Sci & Engn, Chengdu 610064, Sichuan, Peoples R China; [Chen, Min] Chengdu Univ Informat Technol, Dept Optoelect Technol, Chengdu 610225, Sichuan, Peoples R China; [Zhang, C.] Univ Wollongong, Sch Engn Phys, Wollongong, NSW 2522, Australia
E-mail Address:
fliu@eng.utah.edu
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Cited Reference Count:
23
Times Cited:
0
Publisher:
TSINGHUA UNIV PRESS; TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA
ISSN:
1998-0124
DOI:
10.1007/s12274-009-9096-6
IDS Number:
548DO
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Title:
Atomistic simulations of water and organic templates occluded during the synthesis of zeolites
Authors:
Bushuev, YG; Sastre, G
Author Full Names:
Bushuev, Yuriy G.; Sastre, German
Source:
MICROPOROUS AND MESOPOROUS MATERIALS 129 (1-2): 42-53 APR 1 2010
Language:
English
Document Type:
Article
Author Keywords:
Zeolites; ITH zeolite; Forcefield; Computer simulation; Water in zeolites
KeyWords Plus:
STRUCTURE-DIRECTING AGENTS; PURE SILICA POLYMORPH; MOLECULAR-DYNAMICS; COMPUTER-SIMULATION; ORTHORHOMBIC FRAMEWORK; INTERATOMIC POTENTIALS; VIBRATIONAL PROPERTIES; PREFERENTIAL LOCATION; AQUEOUS-SOLUTIONS; CARBON NANOTUBE
Abstract:
The amount and location of water trapped during the synthesis of pure silica ITH zeolite has been carefully predicted by atomistic simulations with the employment of a new forcefield. The presented forcefield can be used to model accurately the structural and thermodynamic behavior of water in (Si, Al) zeolites, and the presence of ions (organic cations and fluoride anions) can be included in the system. Finally, the heats of formation of silica polymorphs are reproduced with more accuracy than with previous forcefields, which makes this new forcefield very appropriate to model aspects related to the stability of zeolites. (C) 2009 Elsevier Inc. All rights reserved.
Reprint Address:
Bushuev, YG, UPV CSIC, Inst Tecnol Quim, Avda Naranjos S-N, Valencia 46022, Spain.
Research Institution addresses:
[Bushuev, Yuriy G.; Sastre, German] UPV CSIC, Inst Tecnol Quim, Valencia 46022, Spain; [Bushuev, Yuriy G.] Ivanovo State Univ Chem & Technol, Ivanovo, Russia
E-mail Address:
yuriyb2005@gmail.com
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Cited Reference Count:
77
Times Cited:
1
Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Subject Category:
Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1387-1811
DOI:
10.1016/j.micromeso.2009.08.031
IDS Number:
547CK
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Title:
On the Origin of Ion Selectivity in the Cys-Loop Receptor Family
Authors:
Sine, SM; Wang, HL; Hansen, S; Taylor, P
Author Full Names:
Sine, Steven M.; Wang, Hai-Long; Hansen, Scott; Taylor, Palmer
Source:
JOURNAL OF MOLECULAR NEUROSCIENCE 40 (1-2): 70-76 JAN 2010
Language:
English
Document Type:
Proceedings Paper
Author Keywords:
Cys-loop receptor family; Ion conductance and selectivity; Single channel recording; Acetylcholine binding protein; Molecular dynamics simulation
KeyWords Plus:
X-RAY-STRUCTURE; ACETYLCHOLINE-RECEPTOR; MECHANOSENSITIVE CHANNEL; SMALL-CONDUCTANCE; MOLECULAR-BASIS; PERMEATION; RESOLUTION; HYDRATION; REVEALS; PROTON
Abstract:
Agonist binding to Cys-loop receptors promotes a large transmembrane ion flux of several million cations or anions per second. To investigate structural bases for the rapid and charge-selective flux, we used all atom molecular dynamics (MD) simulations, X-ray crystallography, and single channel recording. MD simulations of the muscle nicotinic receptor, imbedded in a lipid bilayer with an applied transmembrane potential, reveal single cation translocation events during transient periods of channel hydration. During the simulation trajectory, cations paused for prolonged periods near several rings of anionic residues projecting from the lumen of the extracellular domain of the receptor, but subsequently the cation moved rapidly through the hydrophobic transmembrane region as the constituent alpha-helices exhibited back and forth rocking motions. Cocrystallization of acetylcholine binding protein with sulfate ions revealed coordination of five sulfates with residues from one o!
f these charged rings; in cation-selective Cys-loop receptors this ring contains negatively charged residues, whereas in anion-selective receptors it contains positively charged residues. In the muscle nicotinic receptor, charge reversal of residues of this ring decreases unitary conductance by up to 80%. Thus in Cys-loop receptors, a series of charged rings along the ion translocation pathway concentrates hydrated ions relative to bulk solution, giving rise to charge selectivity, and then subtle motions of the hydrophobic transmembrane, coupled with transient periods of water filling, enable rapid ion flux.
Reprint Address:
Sine, SM, Mayo Clin, Coll Med, Dept Physiol & Biomed Engn, Receptor Biol Lab, Rochester, MN 55905 USA.
Research Institution addresses:
[Sine, Steven M.; Wang, Hai-Long] Mayo Clin, Coll Med, Dept Physiol & Biomed Engn, Receptor Biol Lab, Rochester, MN 55905 USA; [Sine, Steven M.; Wang, Hai-Long] Mayo Clin, Coll Med, Dept Neurol, Receptor Biol Lab, Rochester, MN 55905 USA; [Hansen, Scott; Taylor, Palmer] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, Dept Pharmacol, La Jolla, CA 92093 USA
E-mail Address:
sine@mayo.edu
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26
Times Cited:
0
Publisher:
HUMANA PRESS INC; 999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA
Subject Category:
Biochemistry & Molecular Biology; Neurosciences
ISSN:
0895-8696
DOI:
10.1007/s12031-009-9260-1
IDS Number:
545RG
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Title:
Pressure-driven water flow through carbon nanotubes: Insights from molecular dynamics simulation
Authors:
Thomas, JA; McGaughey, AJH; Kuter-Arnebeck, O
Author Full Names:
Thomas, John A.; McGaughey, Alan J. H.; Kuter-Arnebeck, Ottoleo
Source:
INTERNATIONAL JOURNAL OF THERMAL SCIENCES 49 (2): 281-289 FEB 2010
Language:
English
Document Type:
Article
Author Keywords:
Molecular dynamics simulation; Water flow; Slip flow; Carbon nanotubes (CNT); Carbon nanopipes
KeyWords Plus:
FAST MASS-TRANSPORT; FLUID-FLOW; POTENTIAL FUNCTIONS; LIQUID WATER; MEMBRANES; HYDRODYNAMICS; TEMPERATURE; INTERFACE; GRAPHITE; CLUSTERS
Abstract:
Pressure-driven water flow through carbon nanotubes (CNTs) is examined using molecular dynamics simulation. The results are compared to reported experimental flow rate measurements through similarly sized CNTs and larger carbon nanopipes. By using molecular dynamics simulation to predict the variation of water viscosity and slip length with CNT diameter, we find that flow through CNTs with diameters as small as 1.66 nm can be fully understood using continuum fluid mechanics. Potential mechanisms to explain the differences between the flow rates predicted from simulation and those measured in experiments are identified and discussed. (C) 2009 Elsevier Masson SAS. All rights reserved.
Reprint Address:
McGaughey, AJH, Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA.
Research Institution addresses:
[Thomas, John A.; McGaughey, Alan J. H.; Kuter-Arnebeck, Ottoleo] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA
E-mail Address:
mcgaughey@cmu.edu
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0
Publisher:
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER; 23 RUE LINOIS, 75724 PARIS, FRANCE
Subject Category:
Thermodynamics; Engineering, Mechanical
ISSN:
1290-0729
DOI:
10.1016/j.ijthermalsci.2009.07.008
IDS Number:
545NH
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