Citation Alerts

Friday, July 16, 2010

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: 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:
Programmable transdermal drug delivery of nicotine using carbon nanotube membranes

Authors:
Wu, J; Paudel, KS; Strasinger, C; Hammell, D; Stinchcomb, AL; Hinds, BJ

Author Full Names:
Wu, Ji; Paudel, Kalpana S.; Strasinger, Caroline; Hammell, Dana; Stinchcomb, Audra L.; Hinds, Bruce J.

Source:
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 107 (26): 11698-11702 JUN 29 2010

Language:
English

Document Type:
Article

Author Keywords:
electroosmosis; electrophoresis; smoking cessation; medical device

KeyWords Plus:
HAIRLESS GUINEA-PIGS; ELECTROOSMOTIC FLOW; MASS-TRANSPORT; SKIN; MODEL; PHARMACOKINETICS; IONTOPHORESIS; NALTREXONE; ELECTRODE; PRODRUGS

Abstract:
Carbon nanotube (CNT) membranes were employed as the active element of a switchable transdermal drug delivery device that can facilitate more effective treatments of drug abuse and addiction. Due to the dramatically fast flow through CNT cores, high charge density, and small pore dimensions, highly efficient electrophoretic pumping through functionalized CNT membrane was achieved. These membranes were integrated with a nicotine formulation to obtain switchable transdermal nicotine delivery rates on human skin (in vitro) and are consistent with a Fickian diffusion in series model. The transdermal nicotine delivery device was able to successfully switch between high (1.3 +/- 0.65 mu mol/hr-cm(2)) and low (0.33 +/- 0.22 mu mol/hr-cm(2)) fluxes that coincide with therapeutic demand levels for nicotine cessation treatment. These highly energy efficient programmable devices with minimal skin irritation and no skin barrier disruption would open an avenue for single application long!
-wear patches for therapies that require variable or programmable delivery rates.

Reprint Address:
Stinchcomb, AL, Univ Kentucky, Coll Pharm, Lexington, KY 40536 USA.

Research Institution addresses:
[Paudel, Kalpana S.; Strasinger, Caroline; Hammell, Dana; Stinchcomb, Audra L.] Univ Kentucky, Coll Pharm, Lexington, KY 40536 USA; [Wu, Ji; Hinds, Bruce J.] Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA

E-mail Address:
audra.stinchcomb@uky.edu; bjhinds@engr.uky.edu

Cited References:
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BAHR JL, 2001, J AM CHEM SOC, V123, P6536.
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MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
MAJUMDER M, 2007, LANGMUIR, V23, P8624, DOI 10.1021/la700686k.
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Cited Reference Count:
30

Times Cited:
0

Publisher:
NATL ACAD SCIENCES; 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA

Subject Category:
Multidisciplinary Sciences

ISSN:
0027-8424

DOI:
10.1073/pnas.1004714107

IDS Number:
618DT

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Title:
Methane Molecules Drive Water Molecules along Diameter-Gradient SWCNTs with Junctions

Authors:
Yu, HQ; Li, YF; Li, H; Zhang, K; An, CG; Liu, XF; Liew, KM

Author Full Names:
Yu, H. Q.; Li, Y. F.; Li, H.; Zhang, K.; An, C. G.; Liu, X. F.; Liew, K. M.

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (26): 8676-8679 JUL 8 2010

Language:
English

Document Type:
Article

KeyWords Plus:
WALLED CARBON NANOTUBES; TRANSPORT; MODEL; FLOW

Abstract:
We report the transport behavior of water molecules along a system of coaxial single-walled carbon nanotubes (SWCNTs) of different diameters with junctions under the driving force of methane molecules. The junctions are potential barriers to the transport of water molecules through SWCNTs. However, methane molecules can overcome these potential barriers and pull the water molecules across the junction region from one compartment to the next. Although a junction is an obstacle to water transport through SWCNTs, the presence of more junctions gives methane molecules a longer lasting driving force that helps them to pull the water molecules out of the SWCNTs.

Reprint Address:
Li, H, Shandong Univ, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan 250061, Peoples R China.

Research Institution addresses:
[Yu, H. Q.; Li, Y. F.; Li, H.; Zhang, K.; An, C. G.; Liu, X. F.] Shandong Univ, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan 250061, Peoples R China; [Liew, K. M.] City Univ Hong Kong, Dept Bldg & Construct, Kowloon, Hong Kong, Peoples R China

E-mail Address:
lihuilmy@hotmail.com

Cited References:
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Cited Reference Count:
25

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/jp102810j

IDS Number:
617LP

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Title:
Analytic Solutions and Model Assessment for Electrokinetic Flow in Hydrophobic Microchannels with Various Boundary Conditions of Interfacial Electric and Slippage Phenomena

Authors:
Wang, JC; Soong, CY; Hwang, PW

Author Full Names:
Wang, J. C.; Soong, C. Y.; Hwang, P. W.

Source:
JOURNAL OF THE CHINESE SOCIETY OF MECHANICAL ENGINEERS 31 (3): 209-220 JUN 2010

Language:
English

Document Type:
Article

Author Keywords:
fluid slippage; microchannel flow; apparent zeta potential; hydrophobic wall; interfacial phenomena

KeyWords Plus:
SUPERHYDROPHOBIC SURFACE; LIQUID SLIP; MICROFLUIDICS

Abstract:
The present study is concerned with a theoretical analysis of pressure-driven electrokinetic flows in hydrophobic microchannels with emphasis on the slip effects under coupling of interfacial electric and fluid slippage phenomena. Nonlinear equations coupling hydrodynamics and electrical field are formulated and the corresponding linear version can be obtained by invoking Debye-Huckel approximation. To facilitate analytic solutions, the electrokinetic parameter K (defined as the ratio of channel semi-height to Debye length) is assumed high enough with electric double layer non-overlapping. Three zeta potential boundary conditions (BCs) including commonly used material true zeta potential and two kinds of slip-dependent relations are considered. Through comparisons of the six analytic solutions (linear and nonlinear models each with 3 BCs), the present analysis provides an assessment of various models with slip effects on electrokinetic flow in hydrophobic microchannels.

Reprint Address:
Soong, CY, Feng Chia Univ, Dept Aerosp & Syst Engn, Taichung 40724, Taiwan.

Research Institution addresses:
[Wang, J. C.; Soong, C. Y.; Hwang, P. W.] Feng Chia Univ, Dept Aerosp & Syst Engn, Taichung 40724, Taiwan

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Cited Reference Count:
20

Times Cited:
0

Publisher:
CHINESE SOC MECHANICAL ENGINEERS; 4F NO 60 SEC 2 PA TE RD, TAIPEI, 10401, TAIWAN

Subject Category:
Engineering, Mechanical

ISSN:
0257-9731

IDS Number:
620EA

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Title:
The Potential of Carbon Nanotube Membranes for Analytical Separations

Authors:
Lopez-Lorente, AI; Simonet, BM; Valcarcel, M

Author Full Names:
Lopez-Lorente, A. I.; Simonet, B. M.; Valcarcel, M.

Source:
ANALYTICAL CHEMISTRY 82 (13): 5399-5407 JUL 1 2010

Language:
English

Document Type:
Article

KeyWords Plus:
FAST MASS-TRANSPORT; ELECTROOSMOTIC FLOW; WATER; FABRICATION; BUCKYPAPERS; FILMS; TRANSPARENT; MODULATION; FILTERS; ARRAYS

Abstract:
Advances in nanotechnology have enabled the development of nanoporous membranes based on carbon nanotubes, which, by virtue of their exceptional properties, constitute excellent supports for analytical processes, including the selective separation of some molecules.

Reprint Address:
Valcarcel, M, Univ Cordoba, Dept Analyt Chem, E-14071 Cordoba, Spain.

Research Institution addresses:
[Valcarcel, M.] Univ Cordoba, Dept Analyt Chem, E-14071 Cordoba, Spain

E-mail Address:
qa1meobj@uco.es

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Cited Reference Count:
59

Times Cited:
0

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

Subject Category:
Chemistry, Analytical

ISSN:
0003-2700

DOI:
10.1021/ac902629n

IDS Number:
617AO

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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: 09 NOV 2010
Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
========================================================================
Note: Instructions on how to purchase the full text of an article, import the records into an
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
*Record 1 of 3.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000279332300011>
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AU Wu, J
Paudel, KS
Strasinger, C
Hammell, D
Stinchcomb, AL
Hinds, BJ
AF Wu, Ji
Paudel, Kalpana S.
Strasinger, Caroline
Hammell, Dana
Stinchcomb, Audra L.
Hinds, Bruce J.
TI Programmable transdermal drug delivery of nicotine using carbon
nanotube membranes
SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF
AMERICA
LA English
DT Article
DE electroosmosis; electrophoresis; smoking cessation; medical device
ID HAIRLESS GUINEA-PIGS; ELECTROOSMOTIC FLOW; MASS-TRANSPORT; SKIN; MODEL;
PHARMACOKINETICS; IONTOPHORESIS; NALTREXONE; ELECTRODE; PRODRUGS
AB Carbon nanotube (CNT) membranes were employed as the active element of
a switchable transdermal drug delivery device that can facilitate more
effective treatments of drug abuse and addiction. Due to the
dramatically fast flow through CNT cores, high charge density, and
small pore dimensions, highly efficient electrophoretic pumping through
functionalized CNT membrane was achieved. These membranes were
integrated with a nicotine formulation to obtain switchable transdermal
nicotine delivery rates on human skin (in vitro) and are consistent
with a Fickian diffusion in series model. The transdermal nicotine
delivery device was able to successfully switch between high (1.3 +/-
0.65 mu mol/hr-cm(2)) and low (0.33 +/- 0.22 mu mol/hr-cm(2)) fluxes
that coincide with therapeutic demand levels for nicotine cessation
treatment. These highly energy efficient programmable devices with
minimal skin irritation and no skin barrier disruption would open an
avenue for single application long-wear patches for therapies that
require variable or programmable delivery rates.
C1 [Paudel, Kalpana S.; Strasinger, Caroline; Hammell, Dana; Stinchcomb, Audra L.] Univ Kentucky, Coll Pharm, Lexington, KY 40536 USA.
[Wu, Ji; Hinds, Bruce J.] Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA.
RP Stinchcomb, AL, Univ Kentucky, Coll Pharm, Lexington, KY 40536 USA.
EM audra.stinchcomb@uky.edu
bjhinds@engr.uky.edu
CR *FOOD DRUG ADM, 2007, APPR DRUG PROD THER
ABRAMS LS, 2002, BRIT J CLIN PHARMACO, V53, P141
BAHR JL, 2001, J AM CHEM SOC, V123, P6536
BAUMGARTNER S, 2002, AAPS PHARMSCITECH, V3, P86
BRAND RM, 1995, J CONTROL RELEASE, V33, P285
CHEN YF, 2008, NANO LETT, V8, P42, DOI 10.1021/nI0718566
DAMOURS M, 2003, J PHYS CHEM B, V107, P4811, DOI 10.1021/jp027223r
FEYERABEND C, 1985, BRIT J CLIN PHARMACO, V19, P239
HINDS BJ, 2004, SCIENCE, V303, P62, DOI 10.1126/science.1092048
HO H, 1993, DRUG DEV IND PHARM, V19, P295
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298
KATZ E, 2003, ELECTROANAL, V15, P913
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AU Yu, HQ
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AU Lopez-Lorente, AI
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AF Lopez-Lorente, A. I.
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TI The Potential of Carbon Nanotube Membranes for Analytical Separations
SO ANALYTICAL CHEMISTRY
LA English
DT Article
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ISI Web of Knowledge Alert - Lichter S

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Cited Article: Lichter S. Mechanisms for liquid slip at solid surfaces
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Title:
Viscoelastie Modeling with Interfacial slip of a Protein Monolayer Electrode-Adsorbed on an Acoustic Wave Biosensor

Authors:
Ellis, JS; Thompson, M

Author Full Names:
Ellis, Jonathan S.; Thompson, Michael

Source:
LANGMUIR 26 (13): 11558-11567 JUL 6 2010

Language:
English

Document Type:
Article

KeyWords Plus:
QUARTZ-CRYSTAL MICROBALANCE; SURFACE-PLASMON RESONANCE; MOLECULAR-DYNAMICS SIMULATION; SOLID-LIQUID INTERFACE; BOUNDARY-CONDITION; NEWTONIAN LIQUIDS; KELVIN NANOPROBE; NETWORK ANALYSIS; THIN-FILMS; WALL SLIP

Abstract:
Transverse-shear mode acoustic wave devices have been used as real-time, label-free detectors of conformational shifts in biomolecules on surfaces. However, material changes in the biochemical monolayers and coupling between the substrate and the surrounding liquid make it difficult to isolate the desired signal, so an understanding of these phenomena is required. An important step in this understanding is knowledge of the material properties of the linker layer that attaches a biochemically selective molecule to the gold surface, in our case, neutravidin. With the goal of obtaining material properties for a neutravidin monolayer, for use in future studies, neutravidin adsorption to the gold surface of an acoustic wave biosensor is described as a viscoelastic monolayer using one-dimensional modeling. Neutravidin is described as forming hydrated, viscoelastie monolayers, and slip is allowed at all interfaces. An impedance model is numerically lit to experimental values using !
a two-parameter minimization algorithm and values for the shear modulus of the neutravidin monolayer, in agreement with literature values for similar proteins, are obtained. Slip is found on the electrode surface prior to neutravidin adsorption. These results will be used for future modeling studies involving this protein as a linker protein.

Reprint Address:
Thompson, M, Univ Toronto, Dept Chem, 80 St George St, Toronto, ON M5S 3H6, Canada.

Research Institution addresses:
[Ellis, Jonathan S.; Thompson, Michael] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada; [Ellis, Jonathan S.; Thompson, Michael] Univ Toronto, Inst Biomat & Biomed Engn, Toronto, ON M5S 3C9, Canada

E-mail Address:
mikethom@chem.utoronto.ca

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ZHU YX, 2002, PHYS REV LETT, V88, ARTN 106102.

Cited Reference Count:
118

Times Cited:
0

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

Subject Category:
Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary

ISSN:
0743-7463

DOI:
10.1021/la100798c

IDS Number:
616VX

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Friday, July 9, 2010

ISI Web of Knowledge Alert - Thompson, P

ISI Web of Knowledge Citation Alert

Cited Article: Thompson, P. A general boundary condition for liquid flow at solid surfaces
Alert Expires: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Boundary slip dependency on surface stiffness

Authors:
Asproulis, N; Drikakis, D

Author Full Names:
Asproulis, Nikolaos; Drikakis, Dimitris

Source:
PHYSICAL REVIEW E 81 (6): Art. No. 061503 Part 1 JUN 24 2010

Language:
English

Document Type:
Article

KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATION; FLUID-SOLID INTERFACE; SHEAR-FLOW; LIQUID; ROUGHNESS

Abstract:
The paper investigates the effects of surface stiffness on the slip process aiming to obtain a better insight of the momentum transfer at nanoscale. The surface stiffness is modeled through the stiffness, kappa, of spring potentials, which are employed to construct the thermal walls. It is shown that variations of stiffness, kappa, influence the slip mechanism either toward slip or stick conditions. Increasing the values of kappa alters the oscillation frequency and the mean displacement of the wall particles toward higher and lower values, respectively. Our results suggest that the amount of slip produced as a function of stiffness follows a common pattern that can be modeled through a fifth-order polynomial function.

Reprint Address:
Asproulis, N, Cranfield Univ, Dept Aerosp Sci, Fluid Mech & Computat Sci Grp, Cranfield MK43 0AL, Beds, England.

Research Institution addresses:
[Asproulis, Nikolaos; Drikakis, Dimitris] Cranfield Univ, Dept Aerosp Sci, Fluid Mech & Computat Sci Grp, Cranfield MK43 0AL, Beds, England

E-mail Address:
d.drikakis@cranfield.ac.uk

Cited References:
ALLEN MP, 1987, COMPUTER SIMULATION.
BARRAT JL, 1999, PHYS REV LETT, V82, P4671.
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BINDER K, 2004, J PHYS-CONDENS MAT, V16, S429.
BONACCURSO E, 2003, PHYS REV LETT, V90, ARTN 144501.
BRANAM RD, 2009, NANOSC MICROSC THERM, V13, P1, DOI 10.1080/15567260802625866.
CHOI CH, 2003, PHYS FLUIDS, V15, P2897, DOI 10.1063/1.1605425.
CIEPLAK M, 2001, PHYS REV LETT, V86, P803.
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GREST GS, 1986, PHYS REV A, V33, P3628.
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KIM BH, 2008, MICROFLUID NANOFLUID, V5, P551, DOI 10.1007/s10404-008-0267-7.
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PETERSEN KE, 1978, IEEE T ELECTRON DEV, V25, P1241.
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PRIEZJEV NV, 2007, J CHEM PHYS, V127, P44708, ARTN 144708.
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ZHU YX, 2001, PHYS REV LETT, V87, ARTN 096105.
ZHU YX, 2002, PHYS REV LETT, V88, ARTN 106102.

Cited Reference Count:
27

Times Cited:
0

Publisher:
AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA

Subject Category:
Physics, Fluids & Plasmas; Physics, Mathematical

ISSN:
1539-3755

DOI:
10.1103/PhysRevE.81.061503

IDS Number:
615WT

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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: 09 NOV 2010
Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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*Record 1 of 3.
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Title:
Interaction of Water Molecules with Graphene: A Density Functional Theory and Molecular Dynamics Study

Authors:
Abe, S; Nagoya, Y; Watari, F; Tachikawa, H

Author Full Names:
Abe, Shigeaki; Nagoya, Yoshinori; Watari, Fumio; Tachikawa, Hiroto

Source:
JAPANESE JOURNAL OF APPLIED PHYSICS 49 (1): Art. No. 01AH07 Sp. Iss. SI 2010

Language:
English

Document Type:
Article

KeyWords Plus:
CARBON NANOTUBES; DIFFUSION DYNAMICS; AMORPHOUS-CARBON; THYMINE DIMER; SURFACE; ION

Abstract:
The evaporation processes of water from the edge region of graphene sheets was investigated by means of the direct molecular orbital-molecular dynamics (MO-MD) method at the AM1 level. Five graphenes with n = 1, 7, 19, 37, and 61 (where n is the number of benzene rings in the graphene) were examined as models of graphene sheets. The edge carbons of each graphene were terminated by hydrogen atoms. In the H2O-graphene interaction system, the oxygen atom of the water molecule binds to one or two C-H hydrogen atoms of the edge carbons. The binding energy of H2O increased gradually as a function of n and was saturated around n = 61. At low temperature (10-100 K), the water molecule was still connected to the graphene sheet, whereas the evaporation of H2O was found above 300 K. The mechanism of water evaporation is discussed on the basis of theoretical results. (C) 2010 The Japan Society of Applied Physics

Reprint Address:
Abe, S, Hokkaido Univ, Grad Sch Dent Med, Dept Biomed Dent Med & Engn, Sapporo, Hokkaido 0608586, Japan.

Research Institution addresses:
[Abe, Shigeaki; Watari, Fumio] Hokkaido Univ, Grad Sch Dent Med, Dept Biomed Dent Med & Engn, Sapporo, Hokkaido 0608586, Japan; [Nagoya, Yoshinori; Tachikawa, Hiroto] Hokkaido Univ, Grad Sch Engn, Div Mat Chem, Sapporo, Hokkaido 0608628, Japan

E-mail Address:
sabe@den.hokudai.ac.jp

Cited References:
*GAUSS INC, 2003, GAUSS 03 REV B 04.
HUMMER G, 2001, NATURE, V414, P188.
NGUYEN CV, 2002, NANO LETT, V2, P1079, DOI 10.1021/nl025689f.
NOON WH, 2002, CHEM PHYS LETT, V355, P445.
RANA M, 2007, J CHEM SCI, V119, P367.
TACHIKAWA H, 2005, J PHYS CHEM B, V109, P13255, DOI 10.1021/jp051418s.
TACHIKAWA H, 2006, J CHEM PHYS, V125, ARTN 133119.
TACHIKAWA H, 2006, J CHEM PHYS, V125, ARTN 144307.
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TACHIKAWA H, 2006, J PHYS CHEM B, V110, P20445, DOI 10.1021/jp0616031.
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TACHIKAWA H, 2008, J PHYS CHEM B, V112, P7315, DOI 10.1021/jp801564t.
TACHIKAWA H, 2008, J PHYS CHEM C, V112, P10193, DOI 10.1021/jp800398y.
WERDER T, 2001, NANO LETT, V1, P697, DOI 10.1021/nl015640u.
WERDER T, 2003, J PHYS CHEM B, V107, P1345, DOI 10.1021/jp0268112.

Cited Reference Count:
16

Times Cited:
0

Publisher:
JAPAN SOC APPLIED PHYSICS; KUDAN-KITA BUILDING 5TH FLOOR, 1-12-3 KUDAN-KITA, CHIYODA-KU, TOKYO, 102-0073, JAPAN

Subject Category:
Physics, Applied

ISSN:
0021-4922

DOI:
10.1143/JJAP.49.01AH07

IDS Number:
617NY

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Title:
Structures and Electronic States of Water Molecules on Graphene Surface: A Density Functional Theory Study

Authors:
Abe, S; Nagoya, Y; Watari, F; Tachikawa, H

Author Full Names:
Abe, Shigeaki; Nagoya, Yoshinori; Watari, Fumio; Tachikawa, Hiroto

Source:
JAPANESE JOURNAL OF APPLIED PHYSICS 49 (6): Art. No. 06GJ13 Part 2 Sp. Iss. SI 2010

Language:
English

Document Type:
Article

KeyWords Plus:
CARBON NANOTUBES; DIFFUSION DYNAMICS; AMORPHOUS-CARBON; THYMINE DIMER; SIMULATION; ION; MD

Abstract:
Effects of water molecules on the electronic states of graphene have been investigated by means of density functional theory (DFT) and time-dependent DFT methods at the PW91PW91 and B3LYP/6-31G(d) levels of theory. Solvation caused by one to four water molecules (n = 1-4) was examined in the present study. A graphene composed of 14 benzene rings was used as a model of finite-sized graphene (C42H16). The water molecules interact with the graphene surface via hydrogen bonding. The band gap of graphene was slightly red-shifted by the solvation. This shift was caused by the formation of hydrogen bonds between H2O and the graphene surface. The electronic states of the graphene-water system were discussed on the basis of theoretical results. (C) 2010 The Japan Society of Applied Physics

Reprint Address:
Abe, S, Hokkaido Univ, Grad Sch Dent Med, Dept Biomed Dent Med & Engn, Sapporo, Hokkaido 0608586, Japan.

E-mail Address:
sabe@den.hokudai.ac.jp

Cited References:
*GAUSS INC, 2003, AB IN MO CALC PROGR.
HUMMER G, 2001, NATURE, V414, P188.
NGUYEN CV, 2002, NANO LETT, V2, P1079, DOI 10.1021/nl025689f.
NOON WH, 2002, CHEM PHYS LETT, V355, P445.
RANA M, 2007, J CHEM SCI, V119, P367.
TACHIKAWA H, 2005, J PHYS CHEM B, V109, P13255, DOI 10.1021/jp051418s.
TACHIKAWA H, 2006, J CHEM PHYS, V125, ARTN 133119.
TACHIKAWA H, 2006, J CHEM PHYS, V125, ARTN 144307.
TACHIKAWA H, 2006, J PHYS CHEM A, V110, P153, DOI 10.1021/jp0550659.
TACHIKAWA H, 2006, J PHYS CHEM B, V110, P20445, DOI 10.1021/jp0616031.
TACHIKAWA H, 2007, J CHEM PHYS, V126, ARTN 194310.
TACHIKAWA H, 2008, CHEM PHYS LETT, V462, P321, DOI 10.1016/j.cplett.2008.07.107.
TACHIKAWA H, 2008, J PHYS CHEM B, V112, P7315, DOI 10.1021/jp801564t.
TACHIKAWA H, 2008, J PHYS CHEM C, V112, P10193, DOI 10.1021/jp800398y.
TACHIKAWA H, 2009, THIN SOLID FILMS, V518, P877, DOI 10.1016/j.tsf.2009.07.108.
WERDER T, 2001, NANO LETT, V1, P697, DOI 10.1021/nl015640u.
WERDER T, 2003, J PHYS CHEM B, V107, P1345, DOI 10.1021/jp0268112.

Cited Reference Count:
17

Times Cited:
0

Publisher:
JAPAN SOC APPLIED PHYSICS; KUDAN-KITA BUILDING 5TH FLOOR, 1-12-3 KUDAN-KITA, CHIYODA-KU, TOKYO, 102-0073, JAPAN

Subject Category:
Physics, Applied

ISSN:
0021-4922

DOI:
10.1143/JJAP.49.06GJ13

IDS Number:
613GB

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Title:
INOR 65-AgI@SWCNT: Low dimensional nanoaggregates and energy storage

Authors:
Leoni, S; Mercuri, F; Baldoni, M; Sgamellotti, A; Seifert, G

Author Full Names:
Leoni, Stefano; Mercuri, Francesco; Baldoni, Matteo; Sgamellotti, Antonio; Seifert, Gotthard, Sr.

Source:
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235: - 65-INOR APR 6 2008

Language:
English

Document Type:
Meeting Abstract

KeyWords Plus:
CARBON NANOTUBES

Research Institution addresses:
[Leoni, Stefano] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany; [Baldoni, Matteo] Univ Perugia, Dept Chem, I-06123 Perugia, Italy; [Mercuri, Francesco] ISTM CNR, Dept Chem, I-06123 Perugia, Italy; [Sgamellotti, Antonio] Italian Natl Res Council CNR, Ist Mol Sci & Technol ISTM, Dept Chem, I-06123 Perugia, Italy; [Seifert, Gotthard, Sr.] Tech Univ Dresden, D-01062 Dresden, Germany

E-mail Address:
leoni@cpfs.mpg.de; merc@thch.unipg.it; Gotthard.Seifert@chemie.tu-dresden.de

Cited References:
AJAYAN PM, 1993, NATURE, V361, P333.
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KOGA K, 2001, NATURE, V412, P802.
MEYER RR, 2000, SCIENCE, V289, P1324.
XIA YN, 2003, ADV MATER, V15, P353.

Cited Reference Count:
8

Times Cited:
0

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

Subject Category:
Chemistry, Multidisciplinary

ISSN:
0065-7727

IDS Number:
519OA

Please enter your account number here:

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: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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FN ISI Export Format
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PT J
*Record 1 of 1.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000279063600001>
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AU Kim, J
Van der Bruggen, B
AF Kim, Jeonghwan
Van der Bruggen, Bart
TI The use of nanoparticles in polymeric and ceramic membrane structures:
Review of manufacturing procedures and performance improvement for
water treatment
SO ENVIRONMENTAL POLLUTION
LA English
DT Review
DE Membrane separation; Nanoparticles; Nanotubes; Fouling mitigation
ID COMPOSITE TFC MEMBRANE; NANO-SIZED ALUMINA; CMP WASTE-WATER;
ULTRAFILTRATION MEMBRANES; CARBON NANOTUBES; TIO2 NANOPARTICLES;
PHOTOCATALYTIC DEGRADATION; MICROFILTRATION MEMBRANES; NANOCOMPOSITE
MEMBRANES; SILVER NANOPARTICLES
AB Membrane separations are powerful tools for various applications,
including wastewater treatment and the removal of contaminants from
drinking water. The performance of membranes is mainly limited by
material properties. Recently, successful attempts have been made to
add nanoparticles or nanotubes to polymers in membrane synthesis, with
particle sizes ranging from 4 nm up to 100 nm. Ceramic membranes have
been fabricated with catalytic nanoparticles for synergistic effects on
the membrane performance. Breakthrough effects that have been reported
in the field of water and wastewater treatment include fouling
mitigation, improvement of permeate quality and flux enhancement.
Nanomaterials that have been used include titania, alumina, silica,
silver and many others. This paper reviews the role of engineered
nanomaterials in (pressure driven) membrane technology for water
treatment, to be applied in drinking water production and wastewater
recycling. Benefits and drawbacks are described, which should be taken
into account in further studies on potential risks related to release
of nanoparticles into the environment. (C) 2010 Elsevier Ltd. All
rights reserved.
C1 [Van der Bruggen, Bart] Katholieke Univ Leuven, Dept Chem Engn, Lab Appl Phys Chem & Environm Technol, B-3001 Heverlee, Belgium.
[Kim, Jeonghwan] Inha Univ, Dept Environm Engn, Inchon 402751, South Korea.
RP Van der Bruggen, B, Katholieke Univ Leuven, Dept Chem Engn, Lab Appl
Phys Chem & Environm Technol, W de Croylaan 46, B-3001 Heverlee,
Belgium.
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ISI Web of Knowledge Alert - Lichter S

ISI Web of Knowledge Citation Alert

Title:
Effects of Channel Scale on Slip Length of Flow in Micro/Nanochannels

Authors:
Yang, XF; Zheng, ZQC

Author Full Names:
Yang, Xiaofan; Zheng, Zhongquan C.

Source:
JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME 132 (6): Art. No. 061201 JUN 2010

Language:
English

Document Type:
Article

Author Keywords:
microchannel flow; molecular dynamics method; nanofluidics; slip flow

KeyWords Plus:
MOLECULAR-DYNAMICS; BOUNDARY-CONDITIONS; MICRO-FLUIDICS; HYBRID METHOD; CONTINUUM; SIMULATION; PARTICLE; COMPUTATIONS; MODEL

Abstract:
The concept of slip length, related to surface velocity and shear rate, is often used to analyze the slip surface property for flow in micro- or nanochannels. In this study, a hybrid scheme that couples molecular dynamics simulation (used near the solid boundary to include the surface effect) and a continuum solution (to study the fluid mechanics) is validated and used for the study of slip length behavior in the Couette flow problem. By varying the height of the channel across multiple length scales, we investigate the effect of channel scale on surface slip length. In addition, by changing the velocity of the moving-solid wall, the influence of shear rate on the slip length is studied. The results show that within a certain range of the channel heights, the slip length is size dependent. This upper bound of the channel height can vary with the shear rate. Under different magnitudes of moving velocities and channel heights, a relative slip length can be introduced, which ch!
anges with channel height following a logarithmic function, with the coefficients of the function being the properties of the fluid and wall materials. [DOI: 10.1115/1.4001619]

Reprint Address:
Yang, XF, Kansas State Univ, Dept Mech & Nucl Engn, Manhattan, KS 66506 USA.

Research Institution addresses:
[Yang, Xiaofan; Zheng, Zhongquan C.] Kansas State Univ, Dept Mech & Nucl Engn, Manhattan, KS 66506 USA

E-mail Address:
xiaofan@ksu.edu; zzheng@ksu.edu

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Cited Reference Count:
27

Times Cited:
0

Publisher:
ASME-AMER SOC MECHANICAL ENG; THREE PARK AVE, NEW YORK, NY 10016-5990 USA

Subject Category:
Engineering, Mechanical

ISSN:
0098-2202

DOI:
10.1115/1.4001619

IDS Number:
615EW

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