Citation Alerts

Thursday, June 18, 2009

ISI Web of Knowledge Alert - Majumder M

ISI Web of Knowledge Citation Alert

Cited Article: Majumder M. Nanoscale hydrodynamics - Enhanced flow in carbon nanotubes
Alert Expires: 18 OCT 2009
Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Analysis of the vibration characteristics of fluid-conveying double-walled carbon nanotubes

Authors:
Natsuki, T; Ni, QQ; Endo, M

Author Full Names:
Natsuki, Toshiaki; Ni, Qing-Qing; Endo, Morinobu

Source:
JOURNAL OF APPLIED PHYSICS 105 (9): Art. No. 094328 MAY 1 2009

Language:
English

Document Type:
Article

KeyWords Plus:
WAVE PROPAGATION; WATER; FIBER; MODEL

Abstract:
Vibration characteristics of double-walled carbon nanotubes (DWCNTs) with conveying fluid are analyzed based on the Euler-Bernoulli beam theory and using the wave propagation approach. The DWCNTs are considered as two nanotube shells coupled through the van der Waals interaction between them. The influences of internal moving fluids, such as flow velocity and mass density of fluids, on the vibration frequency of DWCNTs and the DWCNTs embedded in an elastic matrix are investigated in detail. The effect of matrix surrounding carbon nanotubes is considered as a spring element defined by the Winkler model. In this paper, we consider the double-walled nanotubes with an inner diameter of 2.2 nm and an outer diameter of 3.0 nm. According to this analysis, the numerical results indicate that the vibration frequency for the first mode (mode 1) reduces to zero at a critical flow velocity in the case of higher flow velocity, which coincides with the previous study based on a single bea!
m model. The critical flow velocity is largely affected by the fluid properties and the vibration modes. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3117511]

Reprint Address:
Natsuki, T, Shinshu Univ, Fac Text Sci & Technol, 3-15-1 Tokida, Ueda, Nagano 3868567, Japan.

Research Institution addresses:
[Natsuki, Toshiaki; Ni, Qing-Qing] Shinshu Univ, Fac Text Sci & Technol, Ueda, Nagano 3868567, Japan; [Endo, Morinobu] Shinshu Univ, Fac Engn, Nagano 3808553, Japan

E-mail Address:
natsuki@shinshu-u.ac.jp

Cited References:
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Cited Reference Count:
31

Times Cited:
0

Publisher:
AMER INST PHYSICS; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA

Subject Category:
Physics, Applied

ISSN:
0021-8979

DOI:
10.1063/1.3117511

IDS Number:
448LE

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Title:
Gating of Water Flow Induced by Bending of a Carbon Nanotube

Authors:
Wang, S; Lu, HJ; Tu, YS; Wang, CL; Fang, HP

Author Full Names:
Wang Shen; Lu Hang-Jun; Tu Yu-Song; Wang Chun-Lei; Fang Hai-Ping

Source:
CHINESE PHYSICS LETTERS 26 (6): Art. No. 068702 JUN 2009

Language:
English

Document Type:
Article

KeyWords Plus:
BIOLOGICAL CHANNELS; PERMEATION; CONDUCTION; TRANSPORT; DYNAMICS; PIPES

Abstract:
The ON-OFF state transition of the water transport induced by the structural bending of a carbon nanotube is studied by molecule dynamics simulation. The water permeation through a bent carbon nanotube shows excellent gating property with a threshold bending angle of about 14.6 degrees. We also investigate the water density distribution inside the nanochannel to illustrate the mechanism.

Reprint Address:
Fang, HP, Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China.

Research Institution addresses:
[Wang Shen; Tu Yu-Song; Wang Chun-Lei; Fang Hai-Ping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; [Wang Shen; Tu Yu-Song; Wang Chun-Lei] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China; [Lu Hang-Jun] Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China; [Fang Hai-Ping] Chinese Acad Sci, TPCSF, Beijing 100049, Peoples R China

E-mail Address:
fanghaiping@sinap.ac.cn

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Cited Reference Count:
24

Times Cited:
0

Publisher:
IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND

Subject Category:
Physics, Multidisciplinary

ISSN:
0256-307X

IDS Number:
452OA

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Title:
INVESTIGATION OF TEMPERATURE DRIVEN GAS FLOWS IN 4 NM CHANNELS FOR APPLICATIONS OF MICRO-SCALE COMPRESSORS AT ABOVE ATMOSPHERIC PRESSURE

Authors:
Han, YL; Muntz, EP

Author Full Names:
Han, Yen-Lin; Muntz, E. P.

Source:
PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION, VOL 13, PTS A AND B : 661-668 2009

Language:
English

Document Type:
Proceedings Paper

KeyWords Plus:
LINEARIZED BOLTZMANN-EQUATION; WALL CARBON NANOTUBES; MOLECULAR-TRANSPORT; KNUDSEN COMPRESSOR; MEMBRANES; PERFORMANCE

Abstract:
Based on the rarefied flow phenomenon of thermal creep (or thermal transpiration), the Knudsen Compressor is an unconventional micro/meso-scale compressor or pump. Optimization studies have shown that a Knudsen Compressor operates most efficiently when its membrane's flow channels are at the transitional flow regime, between continuum and molecular flows; simultaneously it provides a desired mass flow and pressure ratio. At higher pressures (> 1 atm), to maintain membrane channel Knudsen numbers in the transitional regime (Kn similar to 1), the corresponding membrane channel size needs to be less than about 50 nm. More specifically, at 10 atm, the membrane channel size should be as small as 5 rim to provide the most efficient Knudsen Compressor operation.
Prior to this work, there has been no documented experimental investigation of thermal creep measurements through channels less than 5 nm. Phenomena that could be associated with such flows are briefly discussed, and possible selection criteria for thermal creep membranes are included in this study. Apparatus design is discussed. Experimental results are provided for thermal creep flows, within a single stage Knudsen Compressor with 4 nm diameter membrane channels. The maximum pressure increases across the Knudsen Compressor's thermal creep membrane were measured, over a range of operating pressures from I atm to 1.1 atm with Helium or Argon as the working gas. Results showed apparent thermal creep effects across the porous glass membrane, and possibly significant force field effects within the nano-scale channels.

Reprint Address:
Han, YL, Univ So Calif, Los Angeles, CA 90089 USA.

Research Institution addresses:
[Han, Yen-Lin; Muntz, E. P.] Univ So Calif, Los Angeles, CA 90089 USA

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Cited Reference Count:
36

Times Cited:
0

Publisher:
AMER SOC MECHANICAL ENGINEERS; THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA

IDS Number:
BJJ80

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ISI Web of Knowledge Alert - Holt JK

ISI Web of Knowledge Citation Alert

Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
Alert Expires: 18 OCT 2009
Number of Citing Articles: 5 new records this week (5 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
========================================================================
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ISI ResearchSoft product, and Help Desk Contact information are at the end of the e-mail.
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FN ISI Export Format
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PT J
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AU Thornton, AW
Hilder, T
Hill, AJ
Hill, JM
AF Thornton, Aaron W.
Hilder, Tamsyn
Hill, Anita J.
Hill, James M.
TI Predicting gas diffusion regime within pores of different size, shape
and composition
SO JOURNAL OF MEMBRANE SCIENCE
LA English
DT Article
DE Surface diffusion; Activation diffusion; Knudsen; Transport; Arrhenius;
Separation; Membrane; Pore; Modelling
ID WALLED CARBON NANOTUBES; FREE-VOLUME; POSITRON LIFETIME;
GLASSY-POLYMERS; MEMBRANES; MECHANICS; TRANSPORT; PERMEABILITY;
FULLERENES; ADSORPTION
AB The ability to separate mixtures of molecules is a vital technology in
a world that emits excess carbon dioxide into the atmosphere, needs
purified water, desires artificial kidneys and requires hydrogen for
sustainable energy alternatives. Membranes are composed of angstrom and
nanometer-sized pores which may be designed to separate a gas, vapor or
liquid mixture. In this paper we employ mathematical modeling, using
the Lernnard-Jones interactions between the gas molecule and the pore
wall, to determine the gas diffusion regime occurring within pores of
different size, shape and composition. This novel approach is used to
predict the transport of light gases, namely, He, H-2, CO2, O-2, N-2
and CH4, through carbon tubes, carbon slits, silica tubes and silica
slits. Minimum pore size for barrier-free transport (d(min)) and the
minimum pore size for Knudsen diffusion (d(k)) are calculated for each
gas and a mechanism for the intermediate region is suggested in which
the attractive van der Waals forces cause an accelerated entrance
velocity of the gas at the pore opening. Experimental results for gas
transport in carbon nanotube, carbon molecular sieving and molecular
sieving silica membranes are explained well by the model. The aim of
this work is to provide the guidelines for tailoring porosity in
membranes and adsorbents, such that desired separations are achieved.
Crown Copyright (C) 2009 Published by Elsevier B.V. All rights reserved.
C1 [Thornton, Aaron W.; Hilder, Tamsyn; Hill, James M.] Univ Wollongong, Nanomech Grp, Sch Math & Appl Stat, Wollongong, NSW 2522, Australia.
[Thornton, Aaron W.; Hill, Anita J.] CSIRO Mat Sci & Engn, Clayton Sth Mdc, Vic 3169, Australia.
RP Thornton, AW, Univ Wollongong, Nanomech Grp, Sch Math & Appl Stat,
Wollongong, NSW 2522, Australia.
EM aaron.thornton@csiro.au
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NR 54
TC 0
PU ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0376-7388
DI 10.1016/j.memsci.2009.03.019
PD JUL 1
VL 336
IS 1-2
BP 101
EP 108
SC Engineering, Chemical; Polymer Science
GA 452BU
UT ISI:000266515400011
ER

PT J
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AU Dong, K
Zhou, GH
Liu, XM
Yao, XQ
Zhang, SJ
Lyubartsev, A
AF Dong, Kun
Zhou, Guohui
Liu, Xiaomin
Yao, Xiaoqian
Zhang, Suojiang
Lyubartsev, Alexander
TI Structural Evidence for the Ordered Crystallites of Ionic Liquid in
Confined Carbon Nanotubes
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATION; ROOM-TEMPERATURE;
1-N-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; ICE NANOTUBES;
FREE-ENERGY; TRANSPORT; MIXTURES; SOLVENTS; METHANE; POTENTIALS
AB Ionic liquids (ILs) are a class of new green materials that have
attracted extensive attention in recent decades. Many novel properties
not evident under normal conditions may appear when ionic liquids are
confined to a nanometer scale. As was observed in the experiment, an
anomalous phase behavior from liquid to high melting point perfect
crystal occurred when 1-n-butyl-3-methylimidazolium hexafluorophosphate
([bmim][PF6]) ionic liquid was confined in a carbon nanotube. In this
work, we performed molecular dynamics (MD) simulations for [bmim][PF6]
ionic liquid and provided direct structural evidence that the ionic
crystallizes in a carbon nanotube. The ordered ionic arrangement in
both the radial and the axial directions can be observed inside the
channels of the CNTs to induce the form of crystallites. The ionic
stacking and distributing can be determined by the sizes of the CNTs.
Hydrogen bonds remain the dominant interactions between cations and
anions when the ionic liquid enters into the CNT from the bulk phase.
The free energies as the thermal driven forces were calculated, and it
is found that it is very difficult for a single anion to enter into the
channel of the CNT spontaneously. A more favorable way is through an
ion-pair in which a cation "pulls" an anion to enter into the channel
of the CNT together. It is predicted that other ionic liquids that
possess similar structures, even including the pyridinium-based ionic
liquids, can show higher melting points when confined in CNTs.
C1 [Dong, Kun; Zhou, Guohui; Liu, Xiaomin; Yao, Xiaoqian; Zhang, Suojiang] Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Inst Proc Engn, Beijing 100190, Peoples R China.
[Lyubartsev, Alexander] Stockholm Univ, Arrhenius Lab, Div Phys Chem, S-10691 Stockholm, Sweden.
RP Zhang, SJ, Chinese Acad Sci, State Key Lab Multiphase Complex Syst,
Inst Proc Engn, Beijing 100190, Peoples R China.
EM sjzhang@home.ipe.ac.cn
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NR 54
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
DI 10.1021/jp900533k
PD JUN 11
VL 113
IS 23
BP 10013
EP 10020
SC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
GA 454JZ
UT ISI:000266679500009
ER

PT J
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AU Jenness, GR
Jordan, KD
AF Jenness, Glen R.
Jordan, Kenneth D.
TI DF-DFT-SAPT Investigation of the Interaction of a Water Molecule to
Coronene and Dodecabenzocoronene: Implications for the Water-Graphite
Interaction
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Review
ID DENSITY-FUNCTIONAL THEORY; DISTRIBUTED MULTIPOLE ANALYSIS; ADAPTED
PERTURBATION-THEORY; PI-PI INTERACTIONS; INTERMOLECULAR INTERACTION
ENERGIES; DER-WAALS INTERACTIONS; KOHN-SHAM ORBITALS; CARBON NANOTUBES;
BENZENE DIMER; BASIS-SETS
AB In the present study we revisit the problem of the interaction of a
water molecule with a single graphite sheet. The density
fitting-density functional theory-symmetry-adapted perturbation theory
(DF-DFT-SAPT; J. Chem. Phys. 2005, 122, 014103) method is used to
calculate the individual contributions arising from the interaction of
a water molecule with various acenes, including benzene, coronene, and
dodecabenzocoronene. These results are combined with calculations of
the electrostatic interactions with water and a C216H36 acene to
extrapolate to the limit of an infinite graphite sheet, giving a
interaction energy of -2.2 kcal/mol for the water-graphite system, with
the assumed geometrical structure with one hydrogen atom pointed down
toward the ring system. The structure with two hydrogens pointed down
is predicted to be more stable, with a net interaction energy of -2.7
kcal/mol.
C1 [Jordan, Kenneth D.] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15620 USA.
Univ Pittsburgh, Ctr Mol & Mat Simulat, Pittsburgh, PA 15620 USA.
RP Jordan, KD, Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15620 USA.
EM jordan@pitt.edu
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NR 106
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
DI 10.1021/jp9015307
PD JUN 11
VL 113
IS 23
BP 10242
EP 10248
SC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
GA 454JZ
UT ISI:000266679500039
ER

PT J
*Record 4 of 5.
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*Order Full Text [ ]
AU Wang, S
Lu, HJ
Tu, YS
Wang, CL
Fang, HP
AF Wang Shen
Lu Hang-Jun
Tu Yu-Song
Wang Chun-Lei
Fang Hai-Ping
TI Gating of Water Flow Induced by Bending of a Carbon Nanotube
SO CHINESE PHYSICS LETTERS
LA English
DT Article
ID BIOLOGICAL CHANNELS; PERMEATION; CONDUCTION; TRANSPORT; DYNAMICS; PIPES
AB The ON-OFF state transition of the water transport induced by the
structural bending of a carbon nanotube is studied by molecule dynamics
simulation. The water permeation through a bent carbon nanotube shows
excellent gating property with a threshold bending angle of about 14.6
degrees. We also investigate the water density distribution inside the
nanochannel to illustrate the mechanism.
C1 [Wang Shen; Tu Yu-Song; Wang Chun-Lei; Fang Hai-Ping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
[Wang Shen; Tu Yu-Song; Wang Chun-Lei] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China.
[Lu Hang-Jun] Zhejiang Normal Univ, Dept Phys, Jinhua 321004, Peoples R China.
[Fang Hai-Ping] Chinese Acad Sci, TPCSF, Beijing 100049, Peoples R China.
RP Fang, HP, Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204,
Shanghai 201800, Peoples R China.
EM fanghaiping@sinap.ac.cn
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NR 24
TC 0
PU IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 0256-307X
PD JUN
VL 26
IS 6
AR 068702
SC Physics, Multidisciplinary
GA 452OA
UT ISI:000266549300080
ER

PT B
*Record 5 of 5.
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*Order Full Text [ ]
AU Han, YL
Muntz, EP
AF Han, Yen-Lin
Muntz, E. P.
TI INVESTIGATION OF TEMPERATURE DRIVEN GAS FLOWS IN 4 NM CHANNELS FOR
APPLICATIONS OF MICRO-SCALE COMPRESSORS AT ABOVE ATMOSPHERIC PRESSURE
SO PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS
AND EXPOSITION, VOL 13, PTS A AND B
LA English
DT Proceedings Paper
ID LINEARIZED BOLTZMANN-EQUATION; WALL CARBON NANOTUBES;
MOLECULAR-TRANSPORT; KNUDSEN COMPRESSOR; MEMBRANES; PERFORMANCE
AB Based on the rarefied flow phenomenon of thermal creep (or thermal
transpiration), the Knudsen Compressor is an unconventional
micro/meso-scale compressor or pump. Optimization studies have shown
that a Knudsen Compressor operates most efficiently when its membrane's
flow channels are at the transitional flow regime, between continuum
and molecular flows; simultaneously it provides a desired mass flow and
pressure ratio. At higher pressures (> 1 atm), to maintain membrane
channel Knudsen numbers in the transitional regime (Kn similar to 1),
the corresponding membrane channel size needs to be less than about 50
nm. More specifically, at 10 atm, the membrane channel size should be
as small as 5 rim to provide the most efficient Knudsen Compressor
operation.
Prior to this work, there has been no documented experimental
investigation of thermal creep measurements through channels less than
5 nm. Phenomena that could be associated with such flows are briefly
discussed, and possible selection criteria for thermal creep membranes
are included in this study. Apparatus design is discussed. Experimental
results are provided for thermal creep flows, within a single stage
Knudsen Compressor with 4 nm diameter membrane channels. The maximum
pressure increases across the Knudsen Compressor's thermal creep
membrane were measured, over a range of operating pressures from I atm
to 1.1 atm with Helium or Argon as the working gas. Results showed
apparent thermal creep effects across the porous glass membrane, and
possibly significant force field effects within the nano-scale channels.
C1 [Han, Yen-Lin; Muntz, E. P.] Univ So Calif, Los Angeles, CA 90089 USA.
RP Han, YL, Univ So Calif, Los Angeles, CA 90089 USA.
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NR 36
TC 0
PU AMER SOC MECHANICAL ENGINEERS; THREE PARK AVENUE, NEW YORK, NY
10016-5990 USA
BP 661
EP 668
GA BJJ80
UT ISI:000266546900083
ER

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Title:
INVESTIGATION OF TEMPERATURE DRIVEN GAS FLOWS IN 4 NM CHANNELS FOR APPLICATIONS OF MICRO-SCALE COMPRESSORS AT ABOVE ATMOSPHERIC PRESSURE

Authors:
Han, YL; Muntz, EP

Author Full Names:
Han, Yen-Lin; Muntz, E. P.

Source:
PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION, VOL 13, PTS A AND B : 661-668 2009

Language:
English

Document Type:
Proceedings Paper

KeyWords Plus:
LINEARIZED BOLTZMANN-EQUATION; WALL CARBON NANOTUBES; MOLECULAR-TRANSPORT; KNUDSEN COMPRESSOR; MEMBRANES; PERFORMANCE

Reprint Address:
Han, YL, Univ So Calif, Los Angeles, CA 90089 USA.

Research Institution addresses:
[Han, Yen-Lin; Muntz, E. P.] Univ So Calif, Los Angeles, CA 90089 USA

Cited Reference Count:
36

Times Cited:
0

Publisher:
AMER SOC MECHANICAL ENGINEERS; THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA

IDS Number:
BJJ80

Please enter your account number here:

Friday, June 12, 2009

ISI Web of Knowledge Alert - Saparov, S

ISI Web of Knowledge Citation Alert

Cited Article: Saparov, S. Mobility of a one-dimensional confined file of water molecules as a function of file length
Alert Expires: 22 OCT 2009
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Teaching Old Coefficients New Tricks: New Insight into the Meaning of the Osmotic and Diffusive Permeation Coefficients

Authors:
Beckstein, O

Author Full Names:
Beckstein, Oliver

Source:
BIOPHYSICAL JOURNAL 96 (3): 763-764 FEB 4 2009

Language:
English

Document Type:
News Item

KeyWords Plus:
WATER; PORES

Reprint Address:
Beckstein, O, Univ Oxford, Dept Biochem, Struct Bioinformat & Computat Biochem Unit, Oxford OX1 3QU, England.

Research Institution addresses:
[Beckstein, Oliver] Univ Oxford, Dept Biochem, Struct Bioinformat & Computat Biochem Unit, Oxford OX1 3QU, England; [Beckstein, Oliver] Johns Hopkins Univ, Sch Med, Dept Physiol, Baltimore, MD 21205 USA

E-mail Address:
oliver.beckstein@bioch.ox.ac.uk

Cited References:
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ZHU FQ, 2004, PHYS REV LETT, V93, ARTN 224501.

Cited Reference Count:
9

Times Cited:
0

Publisher:
ELSEVIER SCI LTD; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND

Subject Category:
Biophysics

ISSN:
0006-3495

DOI:
10.1016/j.bpj.2008.10.048

IDS Number:
450CB

========================================================================

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Title:
Determinants of Water Permeability through Nanoscopic Hydrophilic Channels

Authors:
Portella, G; de Groot, BL

Author Full Names:
Portella, Guillem; de Groot, Bert L.

Source:
BIOPHYSICAL JOURNAL 96 (3): 925-938 FEB 4 2009

Language:
English

Document Type:
Article

KeyWords Plus:
PARTICLE MESH EWALD; SINGLE-FILE PORE; MOLECULAR-DYNAMICS; GRAMICIDIN CHANNEL; PEPTIDE NANOTUBES; PROTON EXCLUSION; CARBON NANOTUBE; CELL-MEMBRANE; ION CHANNELS; FORCE-FIELD

Abstract:
Naturally occurring pores show a variety of polarities and sizes that are presumably directly linked to their biological function. Many biological channels are selective toward permeants similar or smaller in size than water molecules, and therefore their pores operate in the regime of single-file water pores. Intrinsic factors affecting water permeability through such pores include the channel-membrane match, the structural stability of the channel, the channel geometry and channel-water affinity. We present an extensive molecular dynamics study on the role of the channel geometry and polarity on the water osmotic and diffusive permeability coefficients. We show that the polarity of the naturally occurring peptidic channels is close to optimal for water permeation, and that the water mobility for a wide range of channel polarities is essentially length independent. By systematically varying the geometry and polarity of model hydrophilic pores, based on the fold of gramicidi!
n A, the water density, occupancy, and permeability are studied. Our focus is on the characterization of the transition between different permeation regimes in terms of the structure of water in the pores, the average pore occupancy and the dynamics of the permeating water molecules. We show that a general relationship between osmotic and diffusive water permeability coefficients in the single-file regime accounts for the time averaged pore occupancy, and that the dynamics of the permeating water molecules through narrow non single file channels effectively behaves like independent single-file columns.

Reprint Address:
de Groot, BL, Max Planck Inst Biophys Chem, Computat Biomol Dynam Grp, D-37077 Gottingen, Germany.

Research Institution addresses:
[Portella, Guillem; de Groot, Bert L.] Max Planck Inst Biophys Chem, Computat Biomol Dynam Grp, D-37077 Gottingen, Germany

E-mail Address:
bgroot@gwdg.de

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Cited Reference Count:
65

Times Cited:
0

Publisher:
ELSEVIER SCI LTD; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND

Subject Category:
Biophysics

ISSN:
0006-3495

DOI:
10.1016/j.bpj.2008.09.059

IDS Number:
450CB

Please enter your account number here:

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 22 OCT 2009
Number of Citing Articles: 4 new records this week (4 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
========================================================================
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Title:
Intrinsic Ion Selectivity of Narrow Hydrophobic Pores

Authors:
Song, C; Corry, B

Author Full Names:
Song, Chen; Corry, Ben

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 113 (21): 7642-7649 MAY 28 2009

Language:
English

Document Type:
Article

KeyWords Plus:
CARBON NANOTUBE MEMBRANES; FREE-ENERGY CALCULATIONS; MOLECULAR-DYNAMICS; MEAN FORCE; ACETYLCHOLINE-RECEPTOR; POTASSIUM CHANNEL; PEPTIDE NANOTUBE; WATER TRANSPORT; MASS-TRANSPORT; K+ ION

Abstract:
We show that narrow hydrophobic pores have an intrinsic ion selectivity by using single-walled carbon nanotube membranes as a model. We examined pores of radius 3.4-6.1 angstrom, and conducted molecular dynamics simulations to show that Na+, K+, and Cl- face different free energy barriers when entering hydrophobic pores. Most of the differences result from the different dehydration energies of the ions; however, changes in the solvation shell structure in the confined nanotube interior and van der Waals interactions in the small tubes can both play a role. Molecular dynamics simulations conducted under hydrostatic pressure show that carbon nanotube membranes can act as ion sieves, with the pore radius and pressure determining which ions will permeate through the membrane. This work suggests that the intrinsic ion selectivity of biological pores of differing radii might also play a role in determining their selectivity, in addition to the more common explanations based on ele!
ctrostatic effects. In addition, "hydrophobic gating" can arise in continuous water-filled pores.

Reprint Address:
Corry, B, Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6009, Australia.

Research Institution addresses:
[Song, Chen; Corry, Ben] Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6009, Australia

E-mail Address:
ben.corry@uwa.edu.au

Cited References:
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Cited Reference Count:
52

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Physical

ISSN:
1520-6106

DOI:
10.1021/jp810102u

IDS Number:
448YA

========================================================================

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Title:
Fabrication and characterization of carbon nanotubes immobilized in porous polymeric membranes

Authors:
Sae-Khow, O; Mitra, S

Author Full Names:
Sae-Khow, Ornthida; Mitra, Somenath

Source:
JOURNAL OF MATERIALS CHEMISTRY 19 (22): 3713-3718 2009

Language:
English

Document Type:
Article

KeyWords Plus:
MIXED MATRIX MEMBRANES; HOLLOW-FIBER MEMBRANES; GAS SEPARATION; BENZENE/CYCLOHEXANE MIXTURES; PERVAPORATION SEPARATION; POLY(VINYL ALCOHOL); HYBRID MEMBRANES; BARRIER FILM; EXTRACTION; CHROMATOGRAPHY

Abstract:
We demonstrate that the incorporation of carbon nanotubes (CNTs) in the pores of a membrane can offer several advantages. A dispersion of CNTs in polyvinylidene fluoride was injected through a porous membrane, which immobilized the nanotubes in the pore structure. The CNTs served as a sorbent facilitating solute exchange between the two phases leading to enhancement of the enrichment factor by as much as 93%. The presence of CNTs also developed a diffusion barrier by sorbing solvent on its surface, which led to higher retention of the extractant within the membrane.

Reprint Address:
Mitra, S, New Jersey Inst Technol, Dept Chem & Environm Sci, Newark, NJ 07102 USA.

Research Institution addresses:
[Sae-Khow, Ornthida; Mitra, Somenath] New Jersey Inst Technol, Dept Chem & Environm Sci, Newark, NJ 07102 USA

E-mail Address:
Mitra@njit.edu

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Cited Reference Count:
30

Times Cited:
0

Publisher:
ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND

Subject Category:
Chemistry, Physical; Materials Science, Multidisciplinary

ISSN:
0959-9428

DOI:
10.1039/b822879e

IDS Number:
450OO

========================================================================

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Title:
Determinants of Water Permeability through Nanoscopic Hydrophilic Channels

Authors:
Portella, G; de Groot, BL

Author Full Names:
Portella, Guillem; de Groot, Bert L.

Source:
BIOPHYSICAL JOURNAL 96 (3): 925-938 FEB 4 2009

Language:
English

Document Type:
Article

KeyWords Plus:
PARTICLE MESH EWALD; SINGLE-FILE PORE; MOLECULAR-DYNAMICS; GRAMICIDIN CHANNEL; PEPTIDE NANOTUBES; PROTON EXCLUSION; CARBON NANOTUBE; CELL-MEMBRANE; ION CHANNELS; FORCE-FIELD

Reprint Address:
de Groot, BL, Max Planck Inst Biophys Chem, Computat Biomol Dynam Grp, D-37077 Gottingen, Germany.

Research Institution addresses:
[Portella, Guillem; de Groot, Bert L.] Max Planck Inst Biophys Chem, Computat Biomol Dynam Grp, D-37077 Gottingen, Germany

E-mail Address:
bgroot@gwdg.de

Cited Reference Count:
65

Times Cited:
0

Publisher:
ELSEVIER SCI LTD; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND

Subject Category:
Biophysics

ISSN:
0006-3495

DOI:
10.1016/j.bpj.2008.09.059

IDS Number:
450CB

========================================================================

*Record 4 of 4.
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Title:
Dielectric Properties of Water inside Single-Walled Carbon Nanotubes

Authors:
Mikami, F; Matsuda, K; Kataura, H; Maniwa, Y

Author Full Names:
Mikami, Fuminori; Matsuda, Kazuyuki; Kataura, Hiromichi; Maniwa, Yutaka

Source:
ACS NANO 3 (5): 1279-1287 MAY 2009

Language:
English

Document Type:
Article

Author Keywords:
carbon nanotubes; ferroelectric; water; ice nanotubes; dielectric property

KeyWords Plus:
X-RAY-DIFFRACTION; ICE-NANOTUBES; LIQUID WATER; TRANSITION; DYNAMICS

Abstract:
In this paper, we report novel ferroelectric properties of a new form of ice inside single-walled carbon nanotubes (SWCNTs). These are called "ice nanotubes" (ice NTs) and they consist of polygonal water rings stacked one-dimensionally along the SWCNT axis. We performed molecular dynamics (MD) calculations for the ice NTs under an external electric field and in a temperature range between 100 and 350 K. It is revealed that ice NTs show stepwise polarization with a significant hysteresis loop as a function of the external field strength. In particular, pentagonal and heptagonal ice NTs are found to be the world's smallest ferroelectrics with spontaneous polarization of around 1 mu C/cm(2). The n-gonal ice NT, where n = 5, 6, or 7, has (n + 1)-polarized structures with different polarizations. These findings suggest potential applications of SWCNTs encapsulating dielectric materials for the fabrication of the smallest ferroelectric devices. Experimental evidence for the presen!
ce of ice NTs inside SWCNTs is also discussed in great detail.

Reprint Address:
Maniwa, Y, Tokyo Metropolitan Univ, Fac Sci, Dept Phys, 1-1 Minami Osawa, Tokyo 1920397, Japan.

Research Institution addresses:
[Mikami, Fuminori; Matsuda, Kazuyuki; Maniwa, Yutaka] Tokyo Metropolitan Univ, Fac Sci, Dept Phys, Tokyo 1920397, Japan; [Kataura, Hiromichi] Natl Inst Adv Ind Sci & Technol, Nanotechnol Inst, Tsukuba, Ibaraki 3058562, Japan; [Kataura, Hiromichi; Maniwa, Yutaka] JST, CREST, Kawaguchi, Saitama 3320012, Japan

E-mail Address:
maniwa@phys.metro-u.ac.jp

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Cited Reference Count:
32

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary

ISSN:
1936-0851

DOI:
10.1021/nn900221t

IDS Number:
449IH

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Thursday, June 11, 2009

ISI Web of Knowledge Alert - Holt JK

ISI Web of Knowledge Citation Alert

Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
Alert Expires: 18 OCT 2009
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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PT J
*Record 1 of 2.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000266296700032>
*Order Full Text [ ]
AU Song, C
Corry, B
AF Song, Chen
Corry, Ben
TI Intrinsic Ion Selectivity of Narrow Hydrophobic Pores
SO JOURNAL OF PHYSICAL CHEMISTRY B
LA English
DT Article
ID CARBON NANOTUBE MEMBRANES; FREE-ENERGY CALCULATIONS;
MOLECULAR-DYNAMICS; MEAN FORCE; ACETYLCHOLINE-RECEPTOR; POTASSIUM
CHANNEL; PEPTIDE NANOTUBE; WATER TRANSPORT; MASS-TRANSPORT; K+ ION
AB We show that narrow hydrophobic pores have an intrinsic ion selectivity
by using single-walled carbon nanotube membranes as a model. We
examined pores of radius 3.4-6.1 angstrom, and conducted molecular
dynamics simulations to show that Na+, K+, and Cl- face different free
energy barriers when entering hydrophobic pores. Most of the
differences result from the different dehydration energies of the ions;
however, changes in the solvation shell structure in the confined
nanotube interior and van der Waals interactions in the small tubes can
both play a role. Molecular dynamics simulations conducted under
hydrostatic pressure show that carbon nanotube membranes can act as ion
sieves, with the pore radius and pressure determining which ions will
permeate through the membrane. This work suggests that the intrinsic
ion selectivity of biological pores of differing radii might also play
a role in determining their selectivity, in addition to the more common
explanations based on electrostatic effects. In addition, "hydrophobic
gating" can arise in continuous water-filled pores.
C1 [Song, Chen; Corry, Ben] Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6009, Australia.
RP Corry, B, Univ Western Australia, Sch Biomed Biomol & Chem Sci,
Crawley, WA 6009, Australia.
EM ben.corry@uwa.edu.au
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NR 52
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1520-6106
DI 10.1021/jp810102u
PD MAY 28
VL 113
IS 21
BP 7642
EP 7649
SC Chemistry, Physical
GA 448YA
UT ISI:000266296700032
ER

PT J
*Record 2 of 2.
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*Order Full Text [ ]
AU Sae-Khow, O
Mitra, S
AF Sae-Khow, Ornthida
Mitra, Somenath
TI Fabrication and characterization of carbon nanotubes immobilized in
porous polymeric membranes
SO JOURNAL OF MATERIALS CHEMISTRY
LA English
DT Article
ID MIXED MATRIX MEMBRANES; HOLLOW-FIBER MEMBRANES; GAS SEPARATION;
BENZENE/CYCLOHEXANE MIXTURES; PERVAPORATION SEPARATION; POLY(VINYL
ALCOHOL); HYBRID MEMBRANES; BARRIER FILM; EXTRACTION; CHROMATOGRAPHY
AB We demonstrate that the incorporation of carbon nanotubes (CNTs) in the
pores of a membrane can offer several advantages. A dispersion of CNTs
in polyvinylidene fluoride was injected through a porous membrane,
which immobilized the nanotubes in the pore structure. The CNTs served
as a sorbent facilitating solute exchange between the two phases
leading to enhancement of the enrichment factor by as much as 93%. The
presence of CNTs also developed a diffusion barrier by sorbing solvent
on its surface, which led to higher retention of the extractant within
the membrane.
C1 [Sae-Khow, Ornthida; Mitra, Somenath] New Jersey Inst Technol, Dept Chem & Environm Sci, Newark, NJ 07102 USA.
RP Mitra, S, New Jersey Inst Technol, Dept Chem & Environm Sci, Newark, NJ
07102 USA.
EM Mitra@njit.edu
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NR 30
TC 0
PU ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD,
CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0959-9428
DI 10.1039/b822879e
VL 19
IS 22
BP 3713
EP 3718
SC Chemistry, Physical; Materials Science, Multidisciplinary
GA 450OO
UT ISI:000266410900023
ER

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ISI Web of Knowledge Alert - Holt JK

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