Friday, June 24, 2011

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 AUG 2011
Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Aqua Ions-Graphene Interfacial and Confinement Behavior: Insights from Isobaric-Isothermal Molecular Dynamics

Authors:
Chialvo, AA; Cummings, PT

Author Full Names:
Chialvo, Ariel A.; Cummings, Peter T.

Source:
JOURNAL OF PHYSICAL CHEMISTRY A 115 (23): 5918-5927 JUN 16 2011

Language:
English

Document Type:
Article

KeyWords Plus:
HYDROGEN-BONDED STRUCTURE; AQUEOUS-SOLUTIONS; CARBON NANOTUBES; CONFIGURATIONAL TEMPERATURE; HYDRATION STRUCTURE; SURFACE POLARITY; LIQUID WATER; SIMULATION; POTENTIALS; GRAPHITE

Abstract:
We carry out a systematic microstructural characterization of the solid-fluid interface (SFI) of water and simple metal chloride aqueous solutions in contact with a freestanding plate or with two such plates separated by an interplate distance 0 <= h (angstrom) <= 30 at ambient conditions via isothermal-isobaric molecular dynamics. With this characterization, we target the interrogation of the system in search for answers to fundamental questions regarding the structure of the "external" and "internal" (confined) SFIs, the effect of the differential hydration behavior among species, and its link to species expulsion from confinement. For water at ambient conditions, we found that the structure of the "external" SFIs is independent of the interplate distance h in the range 0 <= h (angstrom) <= 30, that is, the absence of wall-mediated correlation effects between "external" and "internal" SFIs, and that for h < 9 angstrom the slit-pores dewet. Moreover, we observed a selective!
expulsion of ions caused by the differential hydration between the anion and the cations with a consequent charging of the slit-pore. All these observations were interpreted in terms of the axial profiles for precisely defined order parameters, including tetrahedral configuration, hydrogen bonding, and species coordination numbers.

Reprint Address:
Chialvo, AA, Oak Ridge Natl Lab, Chem Sci Div, Geochem & Interfacial Sci Grp, Oak Ridge, TN 37831 USA.

Research Institution addresses:
[Chialvo, Ariel A.] Oak Ridge Natl Lab, Chem Sci Div, Geochem & Interfacial Sci Grp, Oak Ridge, TN 37831 USA; [Cummings, Peter T.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA; [Cummings, Peter T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Nanomat Theory Inst, Oak Ridge, TN 37831 USA

E-mail Address:
chialvoaa@ornl.gov

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Cited Reference Count:
70

Times Cited:
0

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

Subject Category:
Chemistry, Physical; Physics, Atomic, Molecular & Chemical

ISSN:
1089-5639

DOI:
10.1021/jp110318n

IDS Number:
773VG

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Title:
Modification of Martini force field for molecular dynamics simulation of hydrophobic charge induction chromatography of lysozyme

Authors:
Zhang, L; Bai, S; Sun, Y

Author Full Names:
Zhang, Lin; Bai, Shu; Sun, Yan

Source:
JOURNAL OF MOLECULAR GRAPHICS & MODELLING 29 (7): 906-914 JUN 2011

Language:
English

Document Type:
Article

Author Keywords:
Martini force field; Modification; Coarse-grained model; All-atom model; Protein adsorption; Desorption

KeyWords Plus:
EGG-WHITE LYSOZYME; COARSE-GRAINED MODEL; PROTEIN INSTABILITY; SOLID-SURFACE; ADSORPTION; PURIFICATION; ANTIBODIES; SEPARATION; FRAGMENTS; MECHANISM

Abstract:
Modeling, especially the force field, is crucial for the accuracy of molecular dynamics (MD) simulations. In order for more accurate description of adsorption and desorption behaviors of lysozyme in hydrophobic charge induction chromatography (HCIC), the Martini coarse-grained (CG) force field has been modified based on the statistical analysis and comparison of an all-atom (AA) force field, GROMOS96 43A1, and the Martini force field. The parameters describing the protein-adsorbent interactions have been adjusted to avoid too strong and unrealistic adsorption of lysozyme on the agarose matrix and HCIC ligands. It is found that the adsorption and desorption behaviors monitored using the modified Martini force field and MD simulation are consistent with previous simulation results with 46-bead beta-barrel model protein. Repeated adjustment of both protein position and orientation is necessary to generate enough contacts for a stable adsorption. After reducing the pH in the mob!
ile phase, the lysozyme-ligand electrostatic repulsion leads to protein desorption. In the adsorption process, little conformational transition of lysozyme is observed due to its stable structure, which is in line with previous experimental observations. So, it is concluded that after appropriate modification, the Martini force field can be used to examine the HCIC process of lysozyme. The modification strategy has thus extended the applicability of the Martini force field to protein chromatography, and it is expected to facilitate studies of exploring the molecular details in adsorption chromatography of proteins. (C) 2011 Elsevier Inc. All rights reserved.

Reprint Address:
Sun, Y, Tianjin Univ, Sch Chem Engn & Technol, Dept Biochem Engn, Tianjin 300072, Peoples R China.

Research Institution addresses:
[Sun, Yan] Tianjin Univ, Sch Chem Engn & Technol, Dept Biochem Engn, Tianjin 300072, Peoples R China; Tianjin Univ, Sch Chem Engn & Technol, Key Lab Syst Bioengn, Minist Educ, Tianjin 300072, Peoples R China

E-mail Address:
ysun@tju.edu.cn

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Cited Reference Count:
52

Times Cited:
0

Publisher:
ELSEVIER SCIENCE INC; 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA

Subject Category:
Biochemical Research Methods; Biochemistry & Molecular Biology; Computer Science, Interdisciplinary Applications; Crystallography; Mathematical & Computational Biology

ISSN:
1093-3263

DOI:
10.1016/j.jmgm.2011.02.004

IDS Number:
774VL

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Title:
Interaction of Collagen with Carbon Nanotube: A Molecular Dynamics Investigation

Authors:
Gopalakrishnan, R; Subramanian, V

Author Full Names:
Gopalakrishnan, R.; Subramanian, V.

Source:
JOURNAL OF BIOMEDICAL NANOTECHNOLOGY 7 (1): 186-187 Sp. Iss. SI FEB 2011

Language:
English

Document Type:
Article

Author Keywords:
Carbon Nanotube (CNT); Collagen Like Peptides (CPs); Molecular Dynamics (MD) Simulation; Extra Cellular Matrix (ECM); Toxicity

Abstract:
In variety of biological applications carbon nano materials interact with different biological macromolecules, such as proteins, carbohydrates and nucleic acids. In this study carbon nanotube (CNT) has been used as the model for carbon nanomaterials. Since, collagen is a large protein; model collagen like peptide (CPs) has been used to understand the interaction between CNT and collagen. Molecular dynamics (MD) simulation showed that the hydrophobic hydrophobic interaction of the CNT-CPs play a crucial role in attracting the CPs towards the CNT. No structural aberrations occured in collagen upon interaction with CNT and hence CNT can be employed in the tissue engineering applications.

Reprint Address:
Gopalakrishnan, R, CSIR, Cent Leather Res Inst, Chem Lab, Madras 600020, Tamil Nadu, India.

Research Institution addresses:
[Gopalakrishnan, R.; Subramanian, V.] CSIR, Cent Leather Res Inst, Chem Lab, Madras 600020, Tamil Nadu, India

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Cited Reference Count:
9

Times Cited:
0

Publisher:
AMER SCIENTIFIC PUBLISHERS; 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA

Subject Category:
Nanoscience & Nanotechnology; Medicine, Research & Experimental

ISSN:
1550-7033

DOI:
10.1166/jbn.2011.1261

IDS Number:
774TZ

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Friday, June 17, 2011

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 AUG 2011
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
========================================================================
Note: Instructions on how to purchase the full text of an article and Help Desk Contact information are at the end of the e-mail.
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Title:
The role of activation energy and reduced viscosity on the enhancement of water flow through carbon nanotubes

Authors:
Babu, JS; Sathian, SP

Author Full Names:
Babu, Jeetu S.; Sathian, Sarith P.

Source:
JOURNAL OF CHEMICAL PHYSICS 134 (19): Art. No. 194509 MAY 21 2011

Language:
English

Document Type:
Article

KeyWords Plus:
ABSOLUTE REACTION-RATES; MOLECULAR-DYNAMICS; ROOM-TEMPERATURE; TRANSPORT; DIFFUSION; NANOFLUIDICS; SIMULATION; MEMBRANES; LIQUIDS; STORAGE

Abstract:
Molecular dynamics simulations are carried out to study the pressure driven fluid flow of water through single walled carbon nanotubes. A method for the calculation of viscosity of the confined fluid based on the Eyring theory of reaction rates is proposed. The method involves the calculation of the activation energy directly from the molecular dynamics trajectory information. Computations are performed using this method to study the effect of surface curvature on the confined fluid viscosity. The results indicate that the viscosity varies nonlinearly with the carbon nanotube diameter. It is concluded that the reason behind the observed enhancement in the rate of fluid flow through carbon nanotubes could be the nonlinear variation of viscosity. (C) 2011 American Institute of Physics. [doi:10.1063/1.3592532]

Reprint Address:
Sathian, SP, Natl Inst Technol Calicut, Computat Nanotechnol Lab, Sch Nano Sci & Technol, Kozhikode 673601, India.

Research Institution addresses:
[Babu, Jeetu S.; Sathian, Sarith P.] Natl Inst Technol Calicut, Computat Nanotechnol Lab, Sch Nano Sci & Technol, Kozhikode 673601, India

E-mail Address:
sarith@nitc.ac.in

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Cited Reference Count:
33

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, Atomic, Molecular & Chemical

ISSN:
0021-9606

DOI:
10.1063/1.3592532

IDS Number:
770SX

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Title:
A review of water treatment membrane nanotechnologies

Authors:
Pendergast, MM; Hoek, EMV

Author Full Names:
Pendergast, MaryTheresa M.; Hoek, Eric M. V.

Source:
ENERGY & ENVIRONMENTAL SCIENCE 4 (6): 1946-1971 JUN 2011

Language:
English

Document Type:
Review

KeyWords Plus:
REVERSE-OSMOSIS MEMBRANES; ALIGNED CARBON NANOTUBES; FILM NANOCOMPOSITE MEMBRANES; ATOMIC-FORCE MICROSCOPY; COPOLYMER THIN-FILMS; MANGANESE-CATALYZED OZONATION; POLYAMIDE MOLECULAR-STRUCTURE; CELLULOSE-ACETATE MEMBRANES; SUPPORTED ZEROVALENT IRON; METAL-OXIDE NANOPARTICLES

Abstract:
Nanotechnology is being used to enhance conventional ceramic and polymeric water treatment membrane materials through various avenues. Among the numerous concepts proposed, the most promising to date include zeolitic and catalytic nanoparticle coated ceramic membranes, hybrid inorganic-organic nanocomposite membranes, and bio-inspired membranes such as hybrid protein-polymer biomimetic membranes, aligned nanotube membranes, and isoporous block copolymer membranes. A semi-quantitative ranking system was proposed considering projected performance enhancement (over state-of-the-art analogs) and state of commercial readiness. Performance enhancement was based on water permeability, solute selectivity, and operational robustness, while commercial readiness was based on known or anticipated material costs, scalability (for large scale water treatment applications), and compatibility with existing manufacturing infrastructure. Overall, bio-inspired membranes are farthest from commercial reality, but offer the most promise for performance enhancements; however, nanocomposite membranes offering significant performance enhancements are already commercially available. Zeolitic and catalytic membranes appear reasonably far from commercial reality and offer small to moderate performance enhancements. The ranking of each membrane nanotechnology is discussed along with the key commercialization hurdles for each membrane nanotechnology.

Reprint Address:
Pendergast, MM, Univ Calif Los Angeles, Dept Civil & Environm Engn, Nanomat & Membrane Technol Res Lab, 5732-G Boelter Hall,POB 951593, Los Angeles, CA 90095 USA.

Research Institution addresses:
[Pendergast, MaryTheresa M.; Hoek, Eric M. V.] Univ Calif Los Angeles, Dept Civil & Environm Engn, Nanomat & Membrane Technol Res Lab, Los Angeles, CA 90095 USA; [Hoek, Eric M. V.] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA

E-mail Address:
emvhoek@ucla.edu

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Cited Reference Count:
230

Times Cited:
0

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

Subject Category:
Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences

ISSN:
1754-5692

DOI:
10.1039/c0ee00541j

IDS Number:
772FG

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Friday, June 3, 2011

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
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Title:
Size and temperature effects on the viscosity of water inside carbon nanotubes

Authors:
Ye, HF; Zhang, HW; Zhang, ZQ; Zheng, YG

Author Full Names:
Ye, Hongfei; Zhang, Hongwu; Zhang, Zhongqiang; Zheng, Yonggang

Source:
NANOSCALE RESEARCH LETTERS 6 (1): Art. No. 87 DEC 2010

Language:
English

Document Type:
Article

KeyWords Plus:
MOLECULAR-DYNAMICS; TRANSPORT; CONDUCTION; CHANNEL

Abstract:
The influences of the diameter (size) of single-walled carbon nanotubes (SWCNTs) and the temperature on the viscosity of water confined in SWCNTs are investigated by an "Eyring-MD" (molecular dynamics) method. The results suggest that the relative viscosity of the confined water increases with increasing diameter and temperature, whereas the size-dependent trend of the relative viscosity is almost independent of the temperature. Based on the computational results, a fitting formula is proposed to calculate the size-and temperature-dependent water viscosity, which is useful for the computation on the nanoflow. To demonstrate the rationality of the calculated relative viscosity, the relative amount of the hydrogen bonds of water confined in SWCNTs is also computed. The results of the relative amount of the hydrogen bonds exhibit similar profiles with the curves of the relative viscosity. The present results should be instructive for understanding the coupling effect of the size
and the temperature at the nanoscale.

Reprint Address:
Zhang, HW, Dalian Univ Technol, State Key Lab Struct Anal Ind Equipment, Dept Engn Mech, Fac Vehicle Engn & Mech, Dalian 116023, Peoples R China.

Research Institution addresses:
[Ye, Hongfei; Zhang, Hongwu; Zhang, Zhongqiang; Zheng, Yonggang] Dalian Univ Technol, State Key Lab Struct Anal Ind Equipment, Dept Engn Mech, Fac Vehicle Engn & Mech, Dalian 116023, Peoples R China; [Zhang, Zhongqiang] Jiangsu Univ, Ctr Micro Nano Sci & Technol, Zhenjiang 212013, Peoples R China

E-mail Address:
zhanghw@dlut.edu.cn

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25

Times Cited:
0

Publisher:
SPRINGER; 233 SPRING ST, NEW YORK, NY 10013 USA

Subject Category:
Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied

ISSN:
1931-7573

DOI:
10.1186/1556-276X-6-87

IDS Number:
763AQ

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

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Title:
Nanoconfinement induced anomalous water diffusion inside carbon nanotubes

Authors:
Ye, HF; Zhang, HW; Zheng, YG; Zhang, ZQ

Author Full Names:
Ye, Hongfei; Zhang, Hongwu; Zheng, Yonggang; Zhang, Zhongqiang

Source:
MICROFLUIDICS AND NANOFLUIDICS 10 (6): 1359-1364 JUN 2011

Language:
English

Document Type:
Article

Author Keywords:
Diffusion mechanism; Diffusion coefficient; Carbon nanotube; Confined water; Molecular dynamics

KeyWords Plus:
SINGLE-FILE DIFFUSION; MOLECULAR-DYNAMICS; TRANSPORT; FLUID

Abstract:
The diffusion mechanism and coefficient of water confined in carbon nanotubes (CNTs) of diameter ranging from 8 to 54 are studied by molecular dynamics simulations. It is found that the motions of water molecules inside the CNTs of diameter smaller than 12.2 follow a two-stage diffusion mechanism. Initially, the water diffusion exhibits a long-time super- or sub-diffusion mechanism, and thereafter it transits to the single-file type inside the (6, 6) CNT and shifts to the Fickian type inside the larger CNTs. As for the CNTs of diameter larger than 12.2 , the diffusion of the confined water occurs through the Fickian mechanism, which is identical to that of the bulk water. The simulation results further reveal that the diffusion coefficient of the confined water is non-monotonically dependent on the diameter, which can be ascribed to the double-edged effect of CNTs, i.e., the surface effect and the size effect.

Reprint Address:
Zhang, HW, Dalian Univ Technol, Fac Vehicle Engn & Mech, Dept Engn Mech, State Key Lab Struct Anal Ind Equipment, Dalian 116023, Peoples R China.

Research Institution addresses:
[Ye, Hongfei; Zhang, Hongwu; Zheng, Yonggang; Zhang, Zhongqiang] Dalian Univ Technol, Fac Vehicle Engn & Mech, Dept Engn Mech, State Key Lab Struct Anal Ind Equipment, Dalian 116023, Peoples R China; [Zhang, Zhongqiang] Jiangsu Univ, Ctr Micro Nano Sci & Technol, Zhenjiang 212013, Peoples R China

E-mail Address:
zhanghw@dlut.edu.cn

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Times Cited:
0

Publisher:
SPRINGER HEIDELBERG; TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY

Subject Category:
Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Fluids & Plasmas

ISSN:
1613-4982

DOI:
10.1007/s10404-011-0772-y

IDS Number:
763TF

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

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Title:
Non local effects in the forced vibration of an elastically connected double-carbon nanotube system under a moving nanoparticle

Authors:
Simsek, M

Author Full Names:
Simsek, Mesut

Source:
COMPUTATIONAL MATERIALS SCIENCE 50 (7): 2112-2123 MAY 2011

Language:
English

Document Type:
Article

Author Keywords:
Vibration; Nonlocal elasticity theory; Carbon nanotube; Nanoparticle; Moving load

KeyWords Plus:
NONLOCAL CONTINUUM-MECHANICS; TIMOSHENKO BEAM THEORY; SMALL LENGTH SCALE; WAVE-PROPAGATION; TRANSVERSE VIBRATIONS; MODEL; LOAD; ADSORPTION; SENSORS

Abstract:
This study presents an analytical method for the forced vibration of an elastically connected double-carbon nanotube system (DCNTS) carrying a moving nanoparticle based on the nonlocal elasticity theory. The two nanotubes are identical and are connected with each other continuously by elastic springs. The problem is also solved numerically by using the Galerkin method and the time integration method of Newmark to establish the reliability of the analytical method. Two sets of critical velocity exist for DCNTS. The closed-form solutions for the dynamic deflections of the two nanotubes are derived for these two sets of critical velocity for the first time in this study. The influences of the nonlocal parameter, aspect ratio, velocity of the moving nanoparticle and the elastic layer between the nanotubes on the dynamic responses are discussed. The study shows that the dynamic behavior of the double-carbon nanotube system is greatly influenced by the nonlocal effects. The dynamic
deflections predicted by the classical theory are always smaller than those predicted by the nonlocal theory due to the nonlocal effects. Thus, the classical beam models are not suitable in modeling carbon nanotubes with small aspect ratio, and nonlocal effects should be taken into account. Furthermore, the velocity of the nanoparticle and the stiffness of the elastic layer have significant effects on the dynamic behavior of DCNTS. (C) 2011 Elsevier B.V. All rights reserved.

Reprint Address:
Simsek, M, Yildiz Tech Univ, Dept Civil Engn, Davutpasa Campus, TR-34210 Esenler, Turkey.

Research Institution addresses:
Yildiz Tech Univ, Dept Civil Engn, TR-34210 Esenler, Turkey

E-mail Address:
msimsek@yildiz.edu.tr

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84

Times Cited:
0

Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS

Subject Category:
Materials Science, Multidisciplinary

ISSN:
0927-0256

DOI:
10.1016/j.commatsci.2011.02.017

IDS Number:
764RN

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

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Title:
Molecular Dynamics Simulation of the Antiamoebin Ion Channel: Linking Structure and Conductance

Authors:
Wilson, MA; Wei, CY; Bjelkmar, P; Wallace, BA; Pohorille, A

Author Full Names:
Wilson, Michael A.; Wei, Chenyu; Bjelkmar, Paer; Wallace, B. A.; Pohorille, Andrew

Source:
BIOPHYSICAL JOURNAL 100 (10): 2394-2402 MAY 18 2011

Language:
English

Document Type:
Article

KeyWords Plus:
NERNST-PLANCK THEORY; FORMING POLYPEPTIDE; POTASSIUM CHANNELS; ALPHA-HEMOLYSIN; BACTERIAL PORIN; ALAMETHICIN; MEMBRANE; MODELS; TRANSPORT; FORCE

Abstract:
Molecular-dynamics simulations were carried out to ascertain which of the potential multimeric forms of the transmembrane peptaibol channel, antiamoebin, is consistent with its measured conductance. Estimates of the conductance obtained through counting ions that cross the channel and by solving the Nernst-Planck equation yield consistent results, indicating that the motion of ions inside the channel can be satisfactorily described as diffusive. The calculated conductance of octameric channels is markedly higher than the conductance measured in single channel recordings, whereas the tetramer appears to be nonconducting. The conductance of the hexamer was estimated to be 115 +/- 34 pS and 74 +/- 20 pS, at 150 mV and 75 mV, respectively, in satisfactory agreement with the value of 90 pS measured at 75 mV. On this basis, we propose that the antiamoebin channel consists of six monomers. Its pore is large enough to accommodate K+ and Cl- with their first solvation shells intact. T
he free energy barrier encountered by K+ is only 2.2 kcal/mol whereas Cl- encounters a substantially higher barrier of nearly 5 kcal/mol. This difference makes the channel selective for cations. Ion crossing events are shown to be uncorrelated and follow Poisson statistics.

Reprint Address:
Pohorille, A, Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA.

Research Institution addresses:
[Wilson, Michael A.; Wei, Chenyu; Pohorille, Andrew] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA; [Wilson, Michael A.; Wei, Chenyu; Bjelkmar, Paer; Pohorille, Andrew] NASA, Ames Res Ctr, Exobiol Branch, Moffett Field, CA 94035 USA; [Wallace, B. A.] Univ London, Inst Struct & Mol Biol, Birkbeck Coll, Dept Crystallog, London, England

E-mail Address:
Andrew.Pohorille@nasa.gov

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Cited Reference Count:
62

Times Cited:
0

Publisher:
CELL PRESS; 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA

Subject Category:
Biophysics

ISSN:
0006-3495

DOI:
10.1016/j.bpj.2011.03.054

IDS Number:
767BS

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

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Title:
Mass Transport through Carbon Nanotube Membranes in Three Different Regimes: Ionic Diffusion and Gas and Liquid Flow

Authors:
Majumder, M; Chopra, N; Hinds, BJ

Author Full Names:
Majumder, Mainak; Chopra, Nitin; Hinds, Bruce J.

Source:
ACS NANO 5 (5): 3867-3877 MAY 2011

Language:
English

Document Type:
Article

Author Keywords:
membrane; separations; biomimetic; nanofluidics

KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; WATER; SEPARATION; NANOPORES; MIXTURES; SURFACES; CHANNEL; PORES; FILMS; SLIP

Abstract:
Transport phenomena through the hollow conduits of carbon nanotubes (CNTs) are subjects of intense theoretical and experimental research. We have studied molecular transport over the large spectrum of ionic diffusion to pressure-driven gaseous and liquid flow. Plasma oxidation during the fabrication of the membrane introduces carboxylic acid groups at the CNT entrance, which provides electrostatic "gatekeeper" effects on ionic transport. Diffusive transport of ions of different charge and size through the core of the CNT is close to bulk diffusion expectations and allows estimation of the number of open pores or porosity of the membrane. Flux of gases such as N-2, CO2, Ar, H-2, and CH4 scaled Inversely with their molecular weight by an exponent of 0.4, close to expected kinetic theory velocity expectations. However, the magnitude of the fluxes was similar to 15- to 30-fold higher than predicted from Knudsen diffusion kinetics and consistent with specular momentum reflection i
nside smooth pores. Polar liquids such as water, ethanol, and isopropyl alcohol and nonpolar liquids such as hexane and decane were dramatically enhanced, with water flow over 4 orders of magnitude larger than "no-slip" hydrodynamic flow predictions. As direct experimental proof for the mechanism of near perfect slip conditions within CNT cores, a stepwise hydrophilic functionalization of CNT membranes from as-produced, tip-functionalized, and core-functionalized was performed. Pressure-driven water flow through the membrane was reduced from 5 x 10(4) to 2 x 10(2) to less than a factor of 5 enhancement over conventional Newtonian flow, while retaining nearly the same pore area.

Reprint Address:
Hinds, BJ, Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA.

Research Institution addresses:
[Majumder, Mainak; Hinds, Bruce J.] Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA; [Chopra, Nitin; Hinds, Bruce J.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA

E-mail Address:
bjhinds@engr.uky.edu

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57

Times Cited:
0

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

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

ISSN:
1936-0851

DOI:
10.1021/nn200222g

IDS Number:
767AD

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

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Title:
Self-Cleaning Flexible Infrared Nanosensor Based on Carbon Nanoparticles

Authors:
Yuan, LY; Dai, JJ; Fan, XH; Song, T; Tao, YT; Wang, K; Xu, Z; Zhang, J; Bai, XD; Lu, PX; Chen, J; Zhou, J; Wang, ZL

Author Full Names:
Yuan, Longyan; Dai, Junjie; Fan, Xiaohong; Song, Ting; Tao, Yu Ting; Wang, Kai; Xu, Zhi; Zhang, Jun; Bai, Xuedong; Lu, Peixiang; Chen, Jian; Zhou, Jun; Wang, Zhong Lin

Source:
ACS NANO 5 (5): 4007-4013 MAY 2011

Language:
English

Document Type:
Article

Author Keywords:
carbon nanoparticles; flexible electronics; infrared sensor; self-cleaning; polydimethylsiloxane

KeyWords Plus:
NANOWIRE TRANSISTOR ARRAYS; SEMICONDUCTING POLYMER; PHOTOVOLTAIC DEVICES; RAMAN-SPECTROSCOPY; NANOTUBE FILMS; PHOTOCONDUCTIVITY; SURFACES; SOOT; PHOTODETECTORS; SPECTRA

Abstract:
Highly flexible, robust, and sensitive Infrared nanosensors were fabricated based on carbon nanoparticles that were synthesized through a simple and low-cost flame method. The infrared nanosensor devices showed sharp infrared photoresponse with a response time of similar to 68 ms and a maximum photocurrent change of similar to 52.9%. The devices showed a superhydrophobic property with a contact angle larger than 150 degrees and a sliding angle of similar to 4 degrees. The mechanism for the enhanced Infrared photoresponse from carbon nanoparticles is discussed.

Reprint Address:
Zhou, J, Huazhong Univ Sci & Technol, Wuhan Natl Lab Optoelect, Wuhan 430074, Peoples R China.

Research Institution addresses:
[Yuan, Longyan; Dai, Junjie; Fan, Xiaohong; Song, Ting; Wang, Kai; Zhang, Jun; Lu, Peixiang; Zhou, Jun; Wang, Zhong Lin] Huazhong Univ Sci & Technol, Wuhan Natl Lab Optoelect, Wuhan 430074, Peoples R China; [Tao, Yu Ting; Chen, Jian] Sun Yat Sen Univ, Instrumental Anal & Res Ctr, Guangzhou 510275, Guangdong, Peoples R China; [Yuan, Longyan; Dai, Junjie; Fan, Xiaohong; Song, Ting; Wang, Kai; Zhang, Jun; Lu, Peixiang; Zhou, Jun; Wang, Zhong Lin] Huazhong Univ Sci & Technol, Coll Optoelect Sci & Engn, Wuhan 430074, Peoples R China; [Xu, Zhi; Bai, Xuedong] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China; [Wang, Zhong Lin] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

E-mail Address:
jun.zhou@mail.hust.edu.cn; zlwang@gatech.edu

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Cited Reference Count:
57

Times Cited:
0

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

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

ISSN:
1936-0851

DOI:
10.1021/nn200571q

IDS Number:
767AD

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