Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 09 NOV 2010
Number of Citing Articles: 7 new records this week (7 in this e-mail)
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Title:
The Dynamic Response Function chi(T)(Q,t) of Confined Supercooled Water and its Relation to the Dynamic Crossover Phenomenon
Authors:
Chen, SH; Zhang, Y; Lagi, M; Chu, XQ; Liu, L; Faraone, A; Fratini, E; Baglioni, P
Author Full Names:
Chen, Sow-Hsin; Zhang, Yang; Lagi, Marco; Chu, Xiangqiang; Liu, Li; Faraone, Antonio; Fratini, Emiliano; Baglioni, Piero
Source:
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS 224 (1-2): 109-131 2010
Language:
English
Document Type:
Article
Author Keywords:
Dynamic Response Function; Confined Supercooled Water; Dynamic Crossover Phenomenon
KeyWords Plus:
PROTEIN HYDRATION WATER; STRONG LIQUID TRANSITION; GLASSY WATER; DIELECTRIC-RELAXATION; CARBON NANOTUBES; POROUS GLASSES; SIMULATIONS; TEMPERATURE; MODEL; SPECTROSCOPY
Abstract:
We have made a series of Quasi-Elastic Neutron Scattering (QENS) studies of supercooled water confined in 3-D and 1-D geometries, specifically, interstitial water in aged cement paste (3-D)and water confined in MCM-41-S and Double Wall Nano Tube DWNT (1-D). In addition, we also include the cases of hydration water oil protein surface and other biopolymer surfaces (Pseudo 2-D). By analyzing the QENS spectra using Relaxing Cage Model (RCM), we are able to extract accurately the self-intermediate scattering function of hydrogen atoms F-H(Q,t), at low-Q as a function of temperature T, showing an a-relaxation process at long time. We can then construct the Dynamic Response Function chi(T)(Q,t) = -dF(H)(Q,t)/dT. chi(T)(Q,t) as a function of t at constant Q shows a single peak at the characteristic alpha-relaxation time <tau >, the amplitude of which grows as we approach the dynamic crossover temperature T-L observed before in each of these geometries. However, the peak height of c!
hi(T)(Q,t) decreases after passing the crossover temperature T-L. We make all argument to relate the occurrence of the extremum of the peak height in chi(T) to the existence of the dynamic crossover temperature in each of these cases.
Reprint Address:
Chen, SH, MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA.
Research Institution addresses:
[Chen, Sow-Hsin; Zhang, Yang; Lagi, Marco; Chu, Xiangqiang; Liu, Li; Faraone, Antonio] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA; [Lagi, Marco; Fratini, Emiliano; Baglioni, Piero] Univ Florence, Dept Chem, I-50019 Florence, Italy; [Lagi, Marco; Fratini, Emiliano; Baglioni, Piero] Univ Florence, CSGI, I-50019 Florence, Italy; [Liu, Li] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA; [Faraone, Antonio] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA
E-mail Address:
sowhsin@MIT.EDU
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Cited Reference Count:
69
Times Cited:
0
Publisher:
OLDENBOURG VERLAG; LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
Subject Category:
Chemistry, Physical
ISSN:
0942-9352
DOI:
10.1524/zpch.2010.6095
IDS Number:
565FP
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Title:
Effects of Cosolvents on the Hydration of Carbon Nanotubes
Authors:
Yang, LJ; Gao, YQ
Author Full Names:
Yang, Lijiang; Gao, Yi Qin
Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 (2): 842-848 JAN 20 2010
Language:
English
Document Type:
Article
KeyWords Plus:
AQUEOUS UREA SOLUTIONS; MOLECULAR-DYNAMICS; HYDROPHOBIC INTERACTIONS; WATER; PROTEINS; DENATURATION; TRANSPORT; STABILITY; MECHANISM; SYSTEMS
Abstract:
Molecular dynamics simulations of a nonpolar single-walled carbon nanotube (SWNT) solvated in aqueous solutions of urea, methanol, and trimethylamine N-oxide (TMAO) show clearly the effects of cosolvents on the hydration of the interior of the SWNT. The size of the SWNT was chosen to be small enough that water but not the cosolvent molecules can penetrate into its interior. Urea as a protein denaturant improves hydration of the interior of the SWNT, while the protein protectant TMAO dehydrates the SWNT. The interior of the SWNT is also dehydrated when methanol is added to the solution. The analysis of interaction energies of the water confined inside the SWNT pore shows that the stability of the confined water in the methanol and TMAO solutions mainly depends on electrostatic interactions. In contrast, both van der Waals and electrostatic interactions were shown to be important in stabilizing the confined water when the SWNT is immersed in the urea solution.
Reprint Address:
Gao, YQ, Texas A&M Univ, Dept Chem, POB 30012, College Stn, TX 77842 USA.
Research Institution addresses:
[Yang, Lijiang; Gao, Yi Qin] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA
E-mail Address:
yiqin@mail.chem.tamu.edu
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Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary
ISSN:
0002-7863
DOI:
10.1021/ja9091825
IDS Number:
562VY
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Title:
Hydrophobic Peptide Channels and Encapsulated Water Wires
Authors:
Raghavender, US; Kantharaju; Aravinda, S; Shamala, N; Balaram, P
Author Full Names:
Raghavender, Upadhyayula S.; Kantharaju; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Balaram, Padmanabhan
Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 (3): 1075-1086 JAN 27 2010
Language:
English
Document Type:
Article
KeyWords Plus:
ASSEMBLING ORGANIC NANOTUBES; TRANSMEMBRANE ION CHANNELS; M2 PROTON CHANNEL; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURES; RHODOBACTER-SPHAEROIDES; BIOMOLECULAR SYSTEMS; CARBONIC-ANHYDRASE; NAK CHANNEL; CHAIN
Abstract:
Peptide nanotubes with filled and empty pores and close-packed structures are formed in closely related pentapeptides. Enantiomorphic sequences, Boc-(D)Pro-Aib-Xxx-Aib-Val-OMe (Xxx = Leu, 1; Val, 2; Ala, 3; Phe, 4) and Boc-Pro-Aib-(D)Xxx-Aib-(D)Val-OMe ((XXX)-X-D = (D)Leu, 5; (D)Val, 6; (D)Ala, 7; (D)Phe, 8), yield molecular structures with a very similar backbone conformation but varied packing patterns in crystals. Peptides 1, 2, 5, and 6 show tubular structures with the molecules self-assembling along the crystallographic six-fold axis (c-axis) and revealing a honeycomb arrangement laterally (ab plane). Two forms of entrapped water wires have been characterized in 2: 2a with d(O center dot center dot center dot O) = 2.6 angstrom and 2b with d(O center dot center dot center dot O) = 3.5 angstrom. The latter is observed in 6 (6a) also. A polymorphic form of 6 (6b), grown from a solution of methanol-water, was observed to crystallize in a monoclinic system as a close-packed !
structure. Single-file water wire arrangements encapsulated inside hydrophobic channels formed by peptide nanotubes could be established by modeling the published structures in the cases of a cyclic peptide and a dipeptide. In all the entrapped water wires, each water molecule is involved in a hydrogen bond with a previous and succeeding water molecule. The O-H group of the water not involved in any hydrogen bond does not seem to be involved in an energetically significant interaction with the nanotube interior, a general feature of the one-dimensional water wires encapsulated in hydrophobic environements. Water wires in hydrophobic channels are contrasted with the single-file arrangements in amphipathic channels formed by aquaporins.
Reprint Address:
Shamala, N, Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India.
Research Institution addresses:
[Raghavender, Upadhyayula S.; Aravinda, Subrayashastry; Shamala, Narayanaswamy] Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India; [Kantharaju; Balaram, Padmanabhan] Indian Inst Sci, Mol Biophys Unit, Bangalore 560012, Karnataka, India
E-mail Address:
shamala@physics.iisc.ernet.in; pb@mbu.iisc.ernet.in
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Cited Reference Count:
74
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary
ISSN:
0002-7863
DOI:
10.1021/ja9083978
IDS Number:
562VZ
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Title:
Evidence of Water Adsorption in Hydrophobic Nanospaces of Highly Pure Double-Walled Carbon Nanotubes
Authors:
Tao, YS; Muramatsu, H; Endo, M; Kaneko, K
Author Full Names:
Tao, Yousheng; Muramatsu, Hiroyuki; Endo, Morinobu; Kaneko, Katsumi
Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 (4): 1214-+ FEB 3 2010
Language:
English
Document Type:
Article
KeyWords Plus:
TEMPERATURE; NANOPORES
Abstract:
Highly pure double-walled carbon nanotubes synthesized by a catalytic chemical vapor deposition method have a quasi one-dimensional nanopore system. We determined these nanotubes' nanopore structures by means of molecular probe adsorption using N-2 at 77 K, CO2 at 273 K, and water at 298, 308, and 318 K, as well as high-resolution transmission electron microscopy. The water vapor adsorption behavior of this system was quite unusual. At a lower relative pressure of P/P-0 = 0.3-0.65, water Filled the interstitial nanopores, and at relative pressures higher than this range, water also filled the interbundle nanopores. This Study is the first to our knowledge that has provided direct evidence of water adsorption in hydrophobic nanospaces of highly pure double-walled carbon nanotubes.
Reprint Address:
Tao, YS, Shinshu Univ, Inst Carbon Sci & Technol, Nagano 3808553, Japan.
Research Institution addresses:
[Tao, Yousheng; Muramatsu, Hiroyuki; Endo, Morinobu] Shinshu Univ, Inst Carbon Sci & Technol, Nagano 3808553, Japan; [Kaneko, Katsumi] Chiba Univ, Grad Sch Sci, Chiba 2638522, Japan
E-mail Address:
tao@endomoribu.shinshu-u.ac.jp
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18
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary
ISSN:
0002-7863
DOI:
10.1021/ja9091215
IDS Number:
562WA
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Title:
A Controllable Molecular Sieve for Na+ and K+ Ions
Authors:
Gong, XJ; Li, JC; Xu, K; Wang, JF; Yang, H
Author Full Names:
Gong, Xiaojing; Li, Jichen; Xu, Ke; Wang, Jianfeng; Yang, Hui
Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 (6): 1873-1877 FEB 17 2010
Language:
English
Document Type:
Article
KeyWords Plus:
CARBON NANOTUBE MEMBRANES; POTASSIUM CHANNELS; MASS-TRANSPORT; WATER CHANNEL; SELECTIVITY; CONDUCTION; FLOW; NANOPORES
Abstract:
The selective rate of specific ion transport across nanoporous material is critical to biological and nanofluidic systems Molecular sieves for ions can be achieved by steric and electrical effects However, the radii of Na+ and K+ are quite similar, they both carry a positive charge, making them difficult to separate Biological ionic channels contain precisely arranged arrays of amino acids that can efficiently recognize and guide the passage of K+ or Na+ across the cell membrane However, the design of inorganic channels with novel recognition mechanisms that control the ionic selectivity remains a challenge. We present here a design for a controllable ion-selective nanopore (molecular sieve) based on a single-walled carbon nanotube with specially arranged carbonyl oxygen atoms modified inside the nanopore, which was inspired by the structure of potassium channels in membrane spanning proteins (e g, KcsA) Our molecular dynamics simulations show that the remarkable selectivity!
is attributed to the hydration structure of Na+ or K+ confined in the nanochannels, which can be precisely tuned by different patterns of the carbonyl oxygen atoms The results also suggest that a confined environment plays a dominant role in the selectivity process. These studies provide a better understanding of the mechanism of ionic selectivity in the KcsA channel and possible technical applications in nanotechnology and biotechnology, including serving as a laboratory-in-nanotube for special chemical interactions and as a high-efficiency nanodevice for purification or desalination of sea and brackish water
Reprint Address:
Gong, XJ, Chinese Acad Sci, Suzhou Inst Nanotech & Nanobion, Suzhou 215125, Peoples R China.
Research Institution addresses:
[Gong, Xiaojing; Xu, Ke; Wang, Jianfeng; Yang, Hui] Chinese Acad Sci, Suzhou Inst Nanotech & Nanobion, Suzhou 215125, Peoples R China; [Yang, Hui] Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China; [Li, Jichen] Univ Manchester, Dept Phys & Astron, Manchester M13 9PL, Lancs, England
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Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary
ISSN:
0002-7863
DOI:
10.1021/ja905753p
IDS Number:
562WC
========================================================================
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Title:
Rapid Transport of Water via a Carbon Nanotube Syringe
Authors:
Rivera, JL; Starr, FW
Author Full Names:
Rivera, Jose L.; Starr, Francis W.
Source:
JOURNAL OF PHYSICAL CHEMISTRY C 114 (9): 3737-3742 MAR 11 2010
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS; FLOW; CONDUCTION; MEMBRANES; CHANNEL; FILMS
Abstract:
The controlled flow of water molecules at the nanoscale is an initial step to many fluidic processes ill nanotechnology. Here we show how thin films of water call be drawn through a nanosyringe built from a carbon nanotube membrane and a "plunger". By increasing the speed of withdrawal of the plunger, we call obtain Molecular transport through the membrane at flux rates exceeding 1()25 molecules cm(-2) s(-1). Above I threshold speed around 0.25 nm/ns (25 cm/s), molecules cannot fill the chamber created by the plunger motion as fast as the chamber expands, and the resulting flux rate drops. By considering hydrophobic or hydrophilic Plungers, we unexpectedly find that the nature of the water-plunger interactions does not affect the flux rate or the threshold plunger speed. While the water structure near the plunger Surface differs significantly For different plunger interactions, the failure of the film away From the plunger surface is responsible for loss of transport. As I r!
esult, the surface interactions play a limited role in controlling the flux.
Reprint Address:
Starr, FW, Wesleyan Univ, Dept Phys, Middletown, CT 06457 USA.
Research Institution addresses:
[Rivera, Jose L.; Starr, Francis W.] Wesleyan Univ, Dept Phys, Middletown, CT 06457 USA; [Rivera, Jose L.] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico
E-mail Address:
joserivera@iim.unam.mx; fstarr@wesleyan.edu
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33
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1932-7447
DOI:
10.1021/jp906527c
IDS Number:
562JG
========================================================================
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Title:
Mass transport and membrane separations: Universal description in terms of physicochemical potential and Einstein's mobility
Authors:
Kocherginsky, N
Author Full Names:
Kocherginsky, N.
Source:
CHEMICAL ENGINEERING SCIENCE 65 (4): 1474-1489 FEB 15 2010
Language:
English
Document Type:
Article
Author Keywords:
Membranes; Energy; Entropy; Separations; Transport processes; Linear thermodynamics; Reverse osmosis; Barodiffusion; Solution-diffusion model
KeyWords Plus:
SOLUTION-DIFFUSION MODEL; PERMEABILITY; VOLUME; WATER
Abstract:
General yet simple description of chemical transport processes in non-isolated system is suggested. It is based on extended Teorell equation and just two fundamental parameters: physicochemical potential and Einstein's mobility. Using mobility it is possible to compare the rates of all major linear transport phenomena, including pressure-driven migration and also nonideal and multicomponent diffusion. Relationship with the Stefan-Maxwell approach and Onsager's linear thermodynamics is demonstrated and physical interpretation of both diagonal and off-diagonal phenomenological coefficients is suggested. Imposing boundary conditions for transport equations allows description of transport in homogeneous membranes caused by several concurrent driving factors, such as concentration, pressure, and voltage. Differences of barodiffusion, membrane filtration, and reverse osmosis are considered. For a porous membrane an expression for the pressure-driven volumetric flux through the por!
es as a function of mobility and pore size is derived. It is explained why hydraulic flow prevails in submicron pores and why diffusion is the dominant mechanism in reverse osmosis if the pressure difference is not too high. The theory naturally leads to the solution-diffusion model equations but does not need usual assumptions of constant pressure across the membrane and the pressure jump only at one surface. Internal pressure and mechanical stress gradients within a membrane exist and can be useful in a description of rheology of aging polymer membranes. A new equation for concurrent diffusion and hydraulic transport is derived and two possible molecular mechanisms leading to the Kedem-Katchalsky equations for reverse osmosis membranes are suggested. Finally, electrokinetic processes are described and their similarity to concentration- and pressure-driven transport is discussed. (C) 2009 Elsevier Ltd. All rights reserved.
Reprint Address:
Kocherginsky, N, Biomime, 909 E Sunnycrest Dr, Urbana, IL 61801 USA.
Research Institution addresses:
Biomime, Urbana, IL 61801 USA
E-mail Address:
biomime@gmail.com
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Cited Reference Count:
55
Times Cited:
0
Publisher:
PERGAMON-ELSEVIER SCIENCE LTD; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
Subject Category:
Engineering, Chemical
ISSN:
0009-2509
DOI:
10.1016/j.ces.2009.10.024
IDS Number:
564MA
========================================================================
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