Citation Alerts

Friday, May 15, 2009

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: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Molecular dynamics simulations on the ionic current through charged nanopores

Authors:
Xue, JM; Zou, XQ; Xie, YB; Wang, YG

Author Full Names:
Xue, J. M.; Zou, X. Q.; Xie, Y. B.; Wang, Y. G.

Source:
JOURNAL OF PHYSICS D-APPLIED PHYSICS 42 (10): Art. No. 105308 MAY 21 2009

Language:
English

Document Type:
Article

KeyWords Plus:
PRIMITIVE MODEL ELECTROLYTE; CONTINUUM-THEORIES; BROWNIAN DYNAMICS; CARBON NANOTUBE; SURFACE-CHARGE; TRANSPORT; CONDUCTIVITY; DIFFUSIVITY; CONDUCTANCE; CHANNELS

Abstract:
Molecular dynamics (MD) simulation was performed to investigate the ionic current through charged nanopores, and the results were compared with the calculation of Poisson-Nernst-Planck (PNP) equations based on the continuum theory. Results show that the current obtained by MD simulation is lower than the current calculated by PNP equations, and the discrepancy depends on the surface charge density of the nanopores. Also, MD simulation shows that the contribution of the electro-osmotic flow effect on ionic current could be 10% higher than the results obtained by solving PNP equations. Since the PNP equations do not take the effect of the pore wall into consideration, we suggest that adjusting the diffusion coefficient in the PNP equations can obtain more accurate results when calculating the ionic current through charged nanopores.

Reprint Address:
Xue, JM, Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China.

Research Institution addresses:
[Xue, J. M.; Zou, X. Q.; Xie, Y. B.; Wang, Y. G.] Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China; [Xue, J. M.] Peking Univ, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China

E-mail Address:
jmxue@pku.edu.cn

Cited References:
NAMD USERS GUIDE SEC.
ALEXANDRA H, 2007, J SEP SCI, V30, P1389.
ALLEN MP, 1991, COMPUTER SIMULATION.
BEREZKIN VV, 2003, ADV COLLOID INTERFAC, V104, P325, DOI 10.1016/S0001-8686(03)00054-X.
CERVERA J, 2006, J CHEM PHYS, V124, ARTN 104706.
CHENG J, 2007, NANO LETT, V7, P3165.
CORRY B, 2000, BIOPHYS J, V78, P2364.
CORRY B, 2000, CHEM PHYS LETT, V320, P35.
COZMUTA I, 2005, MOL SIMULAT, V31, P79, DOI 10.1080/08927020412331308467.
CUI ST, 2005, J CHEM PHYS, V123, ARTN 054706.
DAIGUJI H, 2005, NANO LETT, V5, P2274, DOI 10.1021/nl051646y.
DELUCA G, 2007, BBA-BIOMEMBRANES, V1768, P264, DOI 10.1016/j.bbamem.2006.08.015.
DUAN C, 1997, BIOPHYS J, V72, P97.
HARRISON DE, 1969, J MATH PHYS, V10, P1179.
HEYDEN FHJ, 2005, PHYS REV LETT, V95, UNSP 116104.
HUMMER G, 2001, NATURE, V414, P188.
HWANG H, 2007, J CHEM PHYS, V127, ARTN 024706.
HWANG H, 2007, J PHYS CHEM A, V111, P12506, DOI 10.1021/jp075838o.
IM W, 2002, J MOL BIOL, V322, P851, DOI 10.1016/S0022-2836(02)00778-7.
KARNIK R, 2005, NANO LETT, V5, P1638, DOI 10.1021/nl050966e.
LI JL, 2003, NAT MATER, V2, P611, DOI 10.1038/nmat965.
LIU Q, 2007, PHYS REV E 1, V75, ARTN 051201.
LO WY, 1998, J ELECTROANAL CHEM, V450, P265.
QIAO R, 2003, NANO LETT, V3, P1013, DOI 10.1021/nl034236n.
QIAO R, 2005, APPL PHYS LETT, V86, ARTN 143105.
SCHOCHA BR, 2005, APPL PHYS LETT, V86, UNSP 253111.
SIWY ZS, 2006, NANO LETT, V6, P1729, DOI 10.1021/nl061114x.
STEIN D, 2004, PHYS REV LETT, V93, ARTN 035901.
TANG YW, 2001, J PHYS CHEM A, V105, P9616.
TANG YW, 2001, MOL PHYS, V99, P309.
TANG YW, 2004, J PHYS CHEM B, V108, P18204, DOI 10.1021/jp0465985.
WANG XW, 2007, J PHYS D APPL PHYS, V40, P7077, DOI 10.1088/0022-3727/40/22/032.
WOLF A, 1995, NUCL INSTRUM METH B, V105, P291.

Cited Reference Count:
33

Times Cited:
0

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

Subject Category:
Physics, Applied

ISSN:
0022-3727

DOI:
10.1088/0022-3727/42/10/105308

IDS Number:
440CW

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Title:
An exploration of electronic structure and nuclear dynamics in tropolone: II. The A B-1(2) (pi(*)pi) excited state

Authors:
Burns, LA; Murdock, D; Vaccaro, PH

Author Full Names:
Burns, Lori A.; Murdock, Daniel; Vaccaro, Patrick H.

Source:
JOURNAL OF CHEMICAL PHYSICS 130 (14): Art. No. 144304 APR 14 2009

Language:
English

Document Type:
Article

Author Keywords:
bond lengths; chemical exchanges; configuration interactions; coupled cluster calculations; density functional theory; excited states; HF calculations; hydrogen bonds; molecular force constants; organic compounds; perturbation theory; potential energy surfaces; rotational states; vibrational states

KeyWords Plus:
DENSITY-FUNCTIONAL THEORY; COUPLED-CLUSTER METHOD; POTENTIAL-ENERGY SURFACES; PROTON-TRANSFER REACTIONS; JET-COOLED TROPOLONE; GAUSSIAN-BASIS SETS; EXCITATION-ENERGIES; CONFIGURATION-INTERACTION; VIBRATIONAL-EXCITATION; TUNNELING SPLITTINGS

Abstract:
The first excited singlet state of tropolone (A B-1(2)) and the attendant pi(*)<-pi electronic transition have been examined computationally by applying several quantum chemical treatments built upon the aug-cc-pVDZ basis set, including time-dependent density functional theory (TDDFT/B3LYP), configuration interaction singles with perturbative corrections [CIS and CIS(D)], and equation-of-motion coupled-cluster schemes [EOM-CCSD and CR-EOMCCSD(T)]. As in the case of the X (1)A(1) ground state [L. A. Burns, D. Murdock, and P. H. Vaccaro, J. Chem. Phys. 124, 204307 (2006)], geometry optimization procedures and harmonic force-field calculations predict the electronically excited potential surface to support a global minimum-energy configuration of rigorously planar (C-s) symmetry. Minimal Hartree-Fock (HF/CIS) and density-functional (DFT/TDDFT) approaches yield inconsistent results for the X (1)A(1) and A B-1(2) manifolds; however, coupled-cluster (CCSD/EOM-CCSD) methods give fu!
lly relaxed proton-transfer barrier heights of Delta E-pt(X)=3296.1 cm(-1) and Delta E-pt(A)=1270.6 cm(-1) that are in accordance with the experimentally observed increase in vibrationless tunneling splitting upon electronic excitation. Detailed analyses show that this reduction in Delta E-pt stems from a variety of complementary factors, most notably an overall contraction of the proton-transfer reaction site (whereby the equilibrium O center dot O donor-acceptor distance decreases from 2.53 to 2.46 A) and a concomitant shortening of the intramolecular hydrogen bond. Further refinement of A B-1(2) energies through single-point perturbative triples corrections [CR-EOMCCSD(T)] leads to 1316.1 cm(-1) as the best current estimate for Delta E-pt(A). Direct comparison of the lowest-lying out-of-plane torsional mode [nu(39)(a(2))] for X (1)A(1) and A B-1(2) tropolone reveals that its disparate nature (cf. nu(X)(39)=101.2 cm(-1) and nu(A)(39)=42.0 cm(-1)) mediates vibrational-aver!
aging effects which can account for inertial defects extracted!
by rota
tionally resolved spectroscopic measurements.

Reprint Address:
Burns, LA, Yale Univ, Dept Chem, POB 208107, New Haven, CT 06520 USA.

Research Institution addresses:
[Burns, Lori A.; Murdock, Daniel; Vaccaro, Patrick H.] Yale Univ, Dept Chem, New Haven, CT 06520 USA

E-mail Address:
patrick.vaccaro@yale.edu

Cited References:
*EPAPS, EJCPSA6130001911 EPA.
ALVES ACP, 1972, MOL PHYS, V23, P927.
ALVES ACP, 1973, MOL PHYS, V25, P1305.
ARNAUT LG, 1993, J PHOTOCH PHOTOBIO A, V75, P1.
BARTLETT RJ, 1995, MODERN ELECT STRUC 1, P1047.
BAUERNSCHMITT R, 1996, CHEM PHYS LETT, V256, P454.
BECKE AD, 1993, J CHEM PHYS, V98, P5648.
BRACAMONTE AE, 2004, J CHEM PHYS, V120, P4638, DOI 10.1063/1.1645774.
BUNKER PR, 1998, MOL SYMMETRY SPECTRO.
BURNS LA, 2006, J CHEM PHYS, V124, ARTN 204307.
CASADESUS R, 2005, CHEM PHYS LETT, V405, P187, DOI 10.1016/j.cplett.2005.02.025.
CLARK T, 1983, J COMPUT CHEM, V4, P294.
DELBENE JE, 1997, J CHEM PHYS, V106, P6051.
DENNINGTON R, 2003, GAUSSVIEW VERSION 3.
DUNNING TH, 1989, J CHEM PHYS, V90, P1007.
FLUKIGER P, 2000, CHIMIA, V54, P766.
FORESMAN JB, 1992, J PHYS CHEM-US, V96, P135.
FORMOSINHO SJ, 1993, J PHOTOCH PHOTOBIO A, V75, P21.
FRISCH MJ, 2004, GAUSSIAN03 REVISION.
FROST RK, 1996, J CHEM PHYS, V105, P2595.
FURCHE F, 2002, J CHEM PHYS, V117, P7433, DOI 10.1063/1.1508368.
GIESE K, 2005, J CHEM PHYS, V123, ARTN 054315.
GORDY W, 1984, MICROWAVE MOL SPECTR.
GUO Y, 1998, J PHYS CHEM A, V102, P5040.
GUTMAN M, 1990, BIOCHIM BIOPHYS ACTA, V1015, P391.
GWALTNEY SR, 1999, J CHEM PHYS, V110, P62.
HEADGORDON M, 1994, CHEM PHYS LETT, V219, P21.
HERSCHBACH DR, 1964, J CHEM PHYS, V40, P3142.
HIBBERT F, 1990, ADV PHYS ORG CHEM, V26, P255.
HUMMER G, 2001, NATURE, V414, P188.
HYNES JT, 2007, HYDROGEN TRANSFER RE.
ISHIKAWA N, 1995, INT J QUANTUM CH S29, P421.
KENDALL RA, 1992, J CHEM PHYS, V96, P6796.
KESKE JC, 2006, J CHEM PHYS, V124, ARTN 074309.
KOWALSKI K, 2004, J CHEM PHYS, V120, P1715, DOI 10.1063/1.1632474.
KRISHNAN R, 1980, J CHEM PHYS, V72, P650.
LEE C, 1988, PHYS REV B, V37, P785.
MACKENZIE VJ, 1999, CHEM PHYS LETT, V302, P1, DOI 10.1016/S0009-2614(99)00349-8.
MARTIN JML, 2001, COMPUT PHYS COMMUN, V133, P189.
MORAN D, 2006, J AM CHEM SOC, V128, P9342, DOI 10.1021/ja0630285.
MURDOCK D, UNPUB.
MURDOCK D, 2007, J CHEM PHYS, V127, ARTN 081101.
OKA T, 1961, J MOL SPECTROSC, V6, P472.
OKA T, 1995, J MOL STRUCT, V352, P225.
OZEKI H, 1993, J CHEM PHYS, V99, P56.
PAZ JJ, 1995, J CHEM PHYS, V103, P353.
PETTERSEN EF, 2004, J COMPUT CHEM, V25, P1605, DOI 10.1002/jcc.20084.
PIECUCH P, 2002, COMPUT PHYS COMMUN, V149, P71.
REDINGTON RL, 1988, J CHEM PHYS, V88, P627.
REDINGTON RL, 1990, J CHEM PHYS, V92, P6447.
REDINGTON RL, 1990, J CHEM PHYS, V92, P6456.
REDINGTON RL, 2000, J CHEM PHYS, V113, P2304.
REDINGTON RL, 2000, J CHEM PHYS, V113, P2319.
REDINGTON RL, 2002, J PHYS CHEM A, V106, P7494, DOI 10.1021/jp0122631.
REDINGTON RL, 2005, J CHEM PHYS, V122, ARTN 124304.
REDINGTON RL, 2006, J PHYS CHEM A, V110, P9633, DOI 10.1021/jp062068s.
REDINGTON RL, 2007, HYDROGEN TRANSFER RE, V1, P3.
REDINGTON RL, 2008, J PHYS CHEM A, V112, P1480, DOI 10.1021/jp0757255.
RUNGE E, 1984, PHYS REV LETT, V52, P997.
SCHMIDT MW, 1993, J COMPUT CHEM, V14, P1347.
SEKIYA H, 1990, J CHEM PHYS, V92, P5761.
SEKIYA H, 1991, J PHYS CHEM-US, V95, P10311.
SMEDARCHINA Z, 1996, J CHEM PHYS, V104, P1203.
STANTON JF, 1993, J CHEM PHYS, V98, P7029.
STANTON JF, 1993, J CHEM PHYS, V99, P8840.
STANTON JF, 1994, J CHEM PHYS, V100, P4695.
STANTON JF, 1995, J CHEM PHYS, V103, P4160.
STANTON JF, 2005, ACES 2 IS PROGRAM PR.
STOCKTON WB, 1997, MACROMOLECULES, V30, P2717.
STRATMANN RE, 1998, J CHEM PHYS, V109, P8218.
TAKADA S, 1995, J CHEM PHYS, V102, P3977.
TANAKA K, 1999, J CHEM PHYS, V110, P1969.
TAYLOR MS, 2006, ANGEW CHEM INT EDIT, V45, P1520, DOI 10.1002/anie.200503132.
TOMIOKA Y, 1983, J PHYS CHEM-US, V87, P4401.
VENER MV, 1994, J CHEM PHYS, V101, P9755.
WANG YG, UNPUB.
WATSON JKG, 1993, J CHEM PHYS, V98, P5302.
WIBERG KB, 1992, J PHYS CHEM-US, V96, P10756.
WIBERG KB, 2005, J PHYS CHEM A, V109, P466, DOI 10.1021/jp040558j.
WLOCH M, 2005, J CHEM PHYS, V122, ARTN 214107.
WOJCIK MJ, 2000, J CHEM PHYS, V112, P6322.

Cited Reference Count:
81

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:
10.1063/1.3089722

IDS Number:
439HC

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Title:
A one-dimensional dipole lattice model for water in narrow nanopores

Authors:
Kofinger, J; Hummer, G; Dellago, C

Author Full Names:
Koefinger, Juergen; Hummer, Gerhard; Dellago, Christoph

Source:
JOURNAL OF CHEMICAL PHYSICS 130 (15): Art. No. 154110 APR 21 2009

Language:
English

Document Type:
Article

Author Keywords:
chemical potential; lattice theory; liquid structure; Monte Carlo methods; nanoporous materials; water

KeyWords Plus:
CARBON NANOTUBE MEMBRANES; PROTON CONDUCTION; MASS-TRANSPORT; ION-TRANSPORT; SIMULATIONS; PROTEINS; CHANNELS; BEHAVIOR

Abstract:
We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equivalent representations of the Hamiltonian that together yield a transparent physical picture of the energetics of the water chain and permit efficient computer simulations. In the charge representation, the Hamiltonian consists of nearest-neighbor interactions and Coulomb-like interactions of effective charges at the ends of dipole ordered segments. Approximations based on the charge picture shed light on the influence of the Coulomb-like interactions on the structure of nanopore water. We use Monte Carlo simulations to study the system behavior of the full Hamiltonian and its approximations as a function of chemical potential and system size and investigate the bimodal character of the density distribution occurring at small system sizes.

Reprint Address:
Kofinger, J, Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna, Austria.

Research Institution addresses:
[Koefinger, Juergen; Dellago, Christoph] Univ Vienna, Fac Phys, A-1090 Vienna, Austria; [Hummer, Gerhard] NIDDKD, Phys Chem Lab, NIH, Bethesda, MD 20892 USA

E-mail Address:
christoph.dellago@univie.ac.at

Cited References:
ABRAMOWITZ M, 1965, HDB MATH FUNCTIONS.
ANTAL T, 2004, J PHYS A-MATH GEN, V37, P1465.
BUTTER K, 2003, NAT MATER, V2, P88.
CHOU T, 2002, J PHYS A-MATH GEN, V35, P4515.
CHOU T, 2004, BIOPHYS J, V86, P2827.
CORRY B, 2008, J PHYS CHEM B, V112, P1427, DOI 10.1021/jp709845u.
DELLAGO C, 2003, PHYS REV LETT, V90, ARTN 105902.
DELLAGO C, 2006, PHYS REV LETT, V97, ARTN 245901.
ERNE BH, 2007, J MAGN MAGN MATER, V311, P145, DOI 10.1016/j.jmmm.2006.11.169.
FORNASIERO F, 2008, P NATL ACAD SCI USA, V105, P17250, DOI 10.1073/pnas.0710437105.
FRENKEL D, 2002, UNDERSTANDING MOL SI.
HILLE B, 2001, ION CHANNELS EXCITAB.
HOLT JK, 2004, NANO LETT, V4, P2245, DOI 10.1021/nl048876h.
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298.
HUMMER G, 2001, NATURE, V414, P188.
HUMMER G, 2007, MOL PHYS, V105, P201, DOI 10.1080/00268970601140784.
JORGENSEN WL, 1983, J CHEM PHYS, V79, P926.
KALRA A, 2003, P NATL ACAD SCI USA, V100, P10175.
KOFINGER J, 2008, P NATL ACAD SCI USA, V105, P13218, DOI 10.1073/pnas.0801448105.
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, ARTN 035503.
KREUER KD, 2004, CHEM REV, V104, P4637, DOI 10.1021/cr020715f.
LIU X, 2006, J PHYS CHEM B, V110, P20102, DOI 10.1021/jp0647378.
LUIJTEN E, 1997, PHYS REV B, V56, P8945.
MAIBAUM L, 2003, J PHYS CHEM B, V107, P1189, DOI 10.1021/jp0267196.
NAGUIB N, 2004, NANO LETT, V4, P2237, DOI 10.1021/nl0484907.
PETER C, 2005, BIOPHYS J, V89, P2222, DOI 10.1529/biophysj.105.065946.
PUNTES VF, 2001, APPL PHYS LETT, V78, P2187.
RASAIAH JC, 2008, ANNU REV PHYS CHEM, V59, P713.
RUELLE D, 1968, COMMUN MATH PHYS, V9, P267.
SHEVCHENKO EV, 2006, NATURE, V439, P55, DOI 10.1038/nature04414.
WANG FG, 2001, PHYS REV E 2, V64, ARTN 056101.
ZHU FQ, 2003, BIOPHYS J, V85, P236.

Cited Reference Count:
32

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:
10.1063/1.3106223

IDS Number:
437KL

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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: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Using stochastic models calibrated from nanosecond nonequilibrium simulations to approximate mesoscale information

Authors:
Calderon, CP; Janosi, L; Kosztin, I

Author Full Names:
Calderon, Christopher P.; Janosi, Lorant; Kosztin, Ioan

Source:
JOURNAL OF CHEMICAL PHYSICS 130 (14): Art. No. 144908 APR 14 2009

Language:
English

Document Type:
Article

Author Keywords:
cellular transport; differential equations; maximum likelihood estimation; molecular biophysics; molecular dynamics method; nonlinear dynamical systems; positive ions; potassium; reaction kinetics theory; reaction-diffusion systems; stochastic processes; time series

KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; FREE-ENERGY DIFFERENCES; GRAMICIDIN-A; LIKELIHOOD-ESTIMATION; DIFFUSION-MODELS; ION CHANNELS; TIME-SERIES; MEAN FORCE; SYSTEMS; EQUILIBRIUM

Abstract:
We demonstrate how the surrogate process approximation (SPA) method can be used to compute both the potential of mean force along a reaction coordinate and the associated diffusion coefficient using a relatively small number (10-20) of bidirectional nonequilibrium trajectories coming from a complex system. Our method provides confidence bands which take the variability of the initial configuration of the high-dimensional system, continuous nature of the work paths, and thermal fluctuations into account. Maximum-likelihood-type methods are used to estimate a stochastic differential equation (SDE) approximating the dynamics. For each observed time series, we estimate a new SDE resulting in a collection of SPA models. The physical significance of the collection of SPA models is discussed and methods for exploiting information in the population of estimated SPA models are demonstrated and suggested. Molecular dynamics simulations of potassium ion dynamics inside a gramicidin A c!
hannel are used to demonstrate the methodology, although SPA-type modeling has also proven useful in analyzing single-molecule experimental time series [J. Phys. Chem. B 113, 118 (2009)].

Reprint Address:
Calderon, CP, Rice Univ, Dept Computat & Appl Math, Houston, TX 77005 USA.

Research Institution addresses:
[Calderon, Christopher P.] Rice Univ, Dept Computat & Appl Math, Houston, TX 77005 USA; [Janosi, Lorant; Kosztin, Ioan] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA

E-mail Address:
calderon@rice.edu

Cited References:
*EPAPS, E4CPSA6130007014 EPA.
AITSAHALIA Y, 2002, 0286 NBER.
AITSAHALIA Y, 2002, ECONOMETRICA, V70, P223.
AITSAHALIA Y, 2008, ANN STAT, V36, P906, DOI 10.1214/009053607000000622.
ALLEN TW, 2003, P NATL ACAD SCI USA, V101, P117.
BALSERA M, 1997, BIOPHYS J, V73, P1281.
BASTUG T, 2006, CHEM PHYS LETT, V425, P320, DOI 10.1016/j.cplett.2006.05.036.
BASTUG T, 2006, CHEM PHYS LIPIDS, V141, P197, DOI 10.1016/j.chemphyslip.2006.02.012.
BASTUG T, 2007, CHEM PHYS LETT, V436, P383, DOI 10.1016/j.cplett.2007.01.078.
BASTUG T, 2007, J CHEM PHYS, V126, ARTN 105103.
BASTUG T, 2008, J CHEM PHYS, V128, ARTN 155104.
BASTUG T, 2008, J CHEM PHYS, V128, ARTN 227102.
BRANDT MW, 2002, J FINANC ECON, V63, P161.
BUSTAMANTE C, 2003, NATURE, V421, P423, DOI 10.1038/nature01405.
BUSTAMANTE C, 2005, PHYS TODAY, V58, P43.
CALDERON CP, 2007, J CHEM PHYS, V126, ARTN 084106.
CALDERON CP, 2007, MULTISCALE MODEL SIM, V6, P656, DOI 10.1137/050643647.
CALDERON CP, 2008, J CHEM PHYS, V128, ARTN 145103.
CALDERON CP, 2009, J CHEM THEORY COMPUT, V5, P47, DOI 10.1021/ct800282a.
CALDERON CP, 2009, J PHYS CHEM B, V113, P138, DOI 10.1021/jp807908c.
CALDERON CP, 2009, J PHYS-CONDENS MAT, V21, ARTN 034114.
CARRIONVAZQUEZ M, 2000, PROG BIOPHYS MOL BIO, V74, P63.
CHELLI R, 2008, PHYS REV E 1, V77, ARTN 031104.
CHEN S, J ECONOMETR IN PRESS.
CHORIN AJ, 1998, P NATL ACAD SCI USA, V95, P4094.
COLLIN D, 2005, NATURE, V437, P231, DOI 10.1038/nature04061.
CROOKS GE, 1998, J STAT PHYS, V90, P1481.
CROOKS GE, 2000, PHYS REV E, V61, P2361.
CROUZY S, 1994, BIOPHYS J, V67, P1370.
DARDEN T, 1993, J CHEM PHYS, V98, P10089.
DIXIT S, 2005, PHYS REV LETT, V94, ARTN 118101.
EVENSEN, 2000, MON WEATHER REV, V1282, P1852, DOI 10.1175/1520-0493(2000)128<LESS.
FELLER SE, 1995, J CHEM PHYS, V103, P4613.
FELLER SE, 1996, J PHYS CHEM-US, V100, P17011.
FORNEY MW, 2008, PHYS REV E 1, V78, ARTN 051913.
FRENKEL D, 2002, UNDERSTANDING MOL SI.
GORE J, 2003, P NATL ACAD SCI USA, V100, P12564, DOI 10.1073/pnas.1635159100.
GULLINGSRUD JR, 1999, J COMPUT PHYS, V151, P190.
HARRIS NC, 2007, PHYS REV LETT, V99, ARTN 068101.
HONG YM, 2005, REV FINANC STUD, V18, P37, DOI 10.1093/rfs/hhh006.
HUMMER G, 2001, P NATL ACAD SCI USA, V98, P3658.
HUMMER G, 2005, NEW J PHYS, V7, ARTN 34.
HUMPHREY W, 1996, J MOL GRAPHICS, V14, P33.
JARZYNSKI C, 1997, PHYS REV E A, V56, P5018.
JARZYNSKI C, 2006, PHYS REV E 2, V73, ARTN 046105.
JIMENEZ JC, 2006, J TIME SER ANAL, V27, P77.
KE C, 2007, PHYS REV LETT, V99, ARTN 018302.
KLOEDEN P, 1992, NUMERICAL SOLUTION S.
KOPELEVICH DI, 2005, J CHEM PHYS, V122, ARTN 044908.
KOSZTIN I, 2006, J CHEM PHYS, V124, ARTN 064106.
KOU SC, 2004, PHYS REV LETT, V93, ARTN 180603.
KUPFERMAN R, 2004, PHYSICA D, V199, P279, DOI 10.1016/j.physd.2004.04.011.
LI PC, 2003, J CHEM PHYS, V119, P9260, DOI 10.1063/1.1615233.
LIU SX, 2007, P NATL ACAD SCI USA, V104, P12634, DOI 10.1073/pnas.0610597104.
MA A, 2006, J CHEM PHYS, V124, ARTN 144911.
MACKERELL AD, 1992, FASEB J, V6, A143.
MACKERELL AD, 1998, J PHYS CHEM B, V102, P3586.
MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
MAKAROV DE, 2001, J CHEM PHYS, V114, P9663.
MAMONOV AB, 2006, BIOPHYS CHEM, V124, P268, DOI 10.1016/j.bpc.2006.03.019.
MINH DDL, 2008, PHYS REV LETT, V100, ARTN 180602.
PARAMORE S, 2007, J CHEM PHYS, V126, ARTN 051102.
PARAMORE S, 2007, J CHEM PHYS, V14, UNSP 105105.
PARK S, 2004, J CHEM PHYS, V120, P5946, DOI 10.1063/1.1651473.
PHILLIPS JC, 2005, J COMPUT CHEM, V26, P1781.
PROCACCI P, 2006, J CHEM PHYS, V125, ARTN 164101.
RAMSAY J, 2005, FUNCTIONAL DATA ANAL.
RIEF M, 1999, NAT STRUCT BIOL, V6, P346.
ROUX B, 1991, J PHYS CHEM-US, V95, P4856.
ROUX B, 2004, Q REV BIOPHYS, V37, P15, DOI 10.1017/S00335835040039668.
ROUX B, 2008, J CHEM PHYS, V128, ARTN 227101.
RUPPERT D, 2003, SEMIPARAMETRIC REGRE.
SCOTT D, 1992, MULTIVARIATE DENSITY.
SHIRTS MR, 2003, PHYS REV LETT, V91, ARTN 140601.
SIGG D, 1999, BIOPHYS J, V76, P782.
SIMMEL FC, 2007, NANOMEDICINE-UK, V2, P817, DOI 10.2217/17435889.2.6.817.
SOCCI ND, 1996, J CHEM PHYS, V104, P5860.
SOTOMAYOR M, 2007, SCIENCE, V316, P1144, DOI 10.1126/science.1137591.
TOWNSLEY LE, 2001, BIOCHEMISTRY-US, V40, P11676.
VENDRUSCOLO M, 2006, SCIENCE, V313, P1586, DOI 10.1126/science.1132851.
ZWANZIG R, 2001, NONEQUILIBRIUM STAT.

Cited Reference Count:
81

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:
10.1063/1.3106225

IDS Number:
439HC

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Title:
Recycling Ultrathin Catalyst Layers for Multiple Single-Walled Carbon Nanotube Array Regrowth Cycles and Selectivity in Catalyst Activation

Authors:
Pint, CL; Nicholas, N; Duque, JG; Parra-Vasquez, ANG; Pasquali, M; Hauge, R

Author Full Names:
Pint, Cary L.; Nicholas, Nolan; Duque, Juan G.; Parra-Vasquez, A. Nicholas G.; Pasquali, Matteo; Hauge, Robert

Source:
CHEMISTRY OF MATERIALS 21 (8): 1550-1556 APR 28 2009

Language:
English

Document Type:
Article

KeyWords Plus:
GROWTH; WATER; CARPETS; FILMS; ADHESIVES

Abstract:
We utilize chemical vapor deposition to demonstrate the reactivation of catalyst for multiple regrowths of vertically aligned carbon nanotube arrays (carpets) in the context of water-assisted supergrowth. The carpets are transferred from the growth substrate, and the catalyst and substrate are reactivated by annealing in air. Annealing parameters control the length and diameter distribution of nanotubes in the regrown carpets due to active catalyst termination followed by a size-dependent process of iron carbide particle reoxidation. The lack of achieving indefinite regrowth from a 0.5 nm thick Fe layer can be attributed to factors such as catalyst dynamics taking place during the growth and regrowth processes.

Reprint Address:
Hauge, R, Rice Univ, Dept Chem, Houston, TX 77005 USA.

Research Institution addresses:
[Pint, Cary L.; Pasquali, Matteo; Hauge, Robert] Rice Univ, Dept Chem, Houston, TX 77005 USA; [Pint, Cary L.; Nicholas, Nolan] Rice Univ, Dept Phys, Houston, TX 77005 USA; [Duque, Juan G.; Parra-Vasquez, A. Nicholas G.; Pasquali, Matteo] Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA; [Pint, Cary L.; Nicholas, Nolan; Duque, Juan G.; Parra-Vasquez, A. Nicholas G.; Pasquali, Matteo; Hauge, Robert] Rice Univ, Richard E Smalley Inst Nanoscale Sci & Technol, Houston, TX 77005 USA

E-mail Address:
Hauge@rice.edu

Cited References:
*ASM INT, 2008, BIN ALL PHAS DIAGR.
AMAMA PB, 2009, NANO LETT, V9, P44, DOI 10.1021/nl801876h.
BACHILO SM, 2002, SCIENCE, V298, P2361, DOI 10.1126/science.1078727.
BETHUNE DS, 1993, NATURE, V363, P605.
CHE JW, 2000, NANOTECHNOLOGY, V11, P65.
CHIU CC, 2008, JPN J APPL PHYS 1, V47, P1952.
CORRY B, 2008, J PHYS CHEM B, V112, P1427, DOI 10.1021/jp709845u.
EBBESEN TW, 1992, NATURE, V358, P220.
FAN SS, 1999, SCIENCE, V283, P512.
FUTABA DN, 2005, PHYS REV LETT, V95, ARTN 056104.
FUTABA DN, 2006, J PHYS CHEM B, V110, P8035, DOI 10.1021/jp060080e.
FUTABA DN, 2006, NAT MATER, V5, P987, DOI 10.1038/nmat1782.
GE L, 2007, P NATL ACAD SCI USA, V104, P10792.
HATA K, 2004, SCIENCE, V306, P1362.
HUANG SM, 2003, J AM CHEM SOC, V125, P5636, DOI 10.1021/ja034475c.
IWASAKI T, 2008, NANO LETT, V8, P886, DOI 10.1021/nl073119f.
LI X, 2005, NANO LETT, V2, P1997.
MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
MILNE WI, 2006, J VAC SCI TECHNOL B, V24, P345, DOI 10.1116/1.2161223.
MOULDER JF, 1995, HDB XRAY PHOTOELECTR.
MURAKAMI Y, 2004, CHEM PHYS LETT, V385, P298, DOI 10.1016/j.cplett.2003.12.095.
OLEFJORD I, 1990, SURF INTERFACE ANAL, V15, P681.
PINT CL, 2008, ACS NANO, V2, P1871, DOI 10.1021/nn8003718.
PINT CL, 2008, J PHYS CHEM C, V112, P14041, DOI 10.1021/jpS025539.
PINT CL, 2008, NANO LETT, V8, P1879, DOI 10.1021/nl0804295.
QU L, 2007, ADV MATER, V19, P3844, DOI 10.1002/adma.200700023.
REN ZF, 1998, SCIENCE, V282, P1105.
SETHI S, 2008, NANO LETT, V8, P822, DOI 10.1021/nl0727765.
SHABANOVA IN, 1975, J ELECTRON SPECTROSC, V6, P297.
TANS SJ, 1997, NATURE, V386, P474.
XU YQ, 2005, NANO LETT, V5, P163.
XU YQ, 2006, APPL PHYS LETT, V89, ARTN 123116.
YU MF, 2000, PHYS REV LETT, V84, P5552.

Cited Reference Count:
33

Times Cited:
0

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

Subject Category:
Chemistry, Physical; Materials Science, Multidisciplinary

ISSN:
0897-4756

DOI:
10.1021/cm8031626

IDS Number:
436KG

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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: 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=000265486300013>
*Order Full Text [ ]
AU Kofinger, J
Hummer, G
Dellago, C
AF Koefinger, Juergen
Hummer, Gerhard
Dellago, Christoph
TI A one-dimensional dipole lattice model for water in narrow nanopores
SO JOURNAL OF CHEMICAL PHYSICS
LA English
DT Article
DE chemical potential; lattice theory; liquid structure; Monte Carlo
methods; nanoporous materials; water
ID CARBON NANOTUBE MEMBRANES; PROTON CONDUCTION; MASS-TRANSPORT;
ION-TRANSPORT; SIMULATIONS; PROTEINS; CHANNELS; BEHAVIOR
AB We present a recently developed one-dimensional dipole lattice model
that accurately captures the key properties of water in narrow
nanopores. For this model, we derive three equivalent representations
of the Hamiltonian that together yield a transparent physical picture
of the energetics of the water chain and permit efficient computer
simulations. In the charge representation, the Hamiltonian consists of
nearest-neighbor interactions and Coulomb-like interactions of
effective charges at the ends of dipole ordered segments.
Approximations based on the charge picture shed light on the influence
of the Coulomb-like interactions on the structure of nanopore water. We
use Monte Carlo simulations to study the system behavior of the full
Hamiltonian and its approximations as a function of chemical potential
and system size and investigate the bimodal character of the density
distribution occurring at small system sizes.
C1 [Koefinger, Juergen; Dellago, Christoph] Univ Vienna, Fac Phys, A-1090 Vienna, Austria.
[Hummer, Gerhard] NIDDKD, Phys Chem Lab, NIH, Bethesda, MD 20892 USA.
RP Kofinger, J, Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna,
Austria.
EM christoph.dellago@univie.ac.at
CR ABRAMOWITZ M, 1965, HDB MATH FUNCTIONS
ANTAL T, 2004, J PHYS A-MATH GEN, V37, P1465
BUTTER K, 2003, NAT MATER, V2, P88
CHOU T, 2002, J PHYS A-MATH GEN, V35, P4515
CHOU T, 2004, BIOPHYS J, V86, P2827
CORRY B, 2008, J PHYS CHEM B, V112, P1427, DOI 10.1021/jp709845u
DELLAGO C, 2003, PHYS REV LETT, V90, ARTN 105902
DELLAGO C, 2006, PHYS REV LETT, V97, ARTN 245901
ERNE BH, 2007, J MAGN MAGN MATER, V311, P145, DOI
10.1016/j.jmmm.2006.11.169
FORNASIERO F, 2008, P NATL ACAD SCI USA, V105, P17250, DOI
10.1073/pnas.0710437105
FRENKEL D, 2002, UNDERSTANDING MOL SI
HILLE B, 2001, ION CHANNELS EXCITAB
HOLT JK, 2004, NANO LETT, V4, P2245, DOI 10.1021/nl048876h
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298
HUMMER G, 2001, NATURE, V414, P188
HUMMER G, 2007, MOL PHYS, V105, P201, DOI 10.1080/00268970601140784
JORGENSEN WL, 1983, J CHEM PHYS, V79, P926
KALRA A, 2003, P NATL ACAD SCI USA, V100, P10175
KOFINGER J, 2008, P NATL ACAD SCI USA, V105, P13218, DOI
10.1073/pnas.0801448105
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, ARTN 035503
KREUER KD, 2004, CHEM REV, V104, P4637, DOI 10.1021/cr020715f
LIU X, 2006, J PHYS CHEM B, V110, P20102, DOI 10.1021/jp0647378
LUIJTEN E, 1997, PHYS REV B, V56, P8945
MAIBAUM L, 2003, J PHYS CHEM B, V107, P1189, DOI 10.1021/jp0267196
NAGUIB N, 2004, NANO LETT, V4, P2237, DOI 10.1021/nl0484907
PETER C, 2005, BIOPHYS J, V89, P2222, DOI 10.1529/biophysj.105.065946
PUNTES VF, 2001, APPL PHYS LETT, V78, P2187
RASAIAH JC, 2008, ANNU REV PHYS CHEM, V59, P713
RUELLE D, 1968, COMMUN MATH PHYS, V9, P267
SHEVCHENKO EV, 2006, NATURE, V439, P55, DOI 10.1038/nature04414
WANG FG, 2001, PHYS REV E 2, V64, ARTN 056101
ZHU FQ, 2003, BIOPHYS J, V85, P236
NR 32
TC 0
PU AMER INST PHYSICS; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON
QUADRANGLE, STE 1 N O 1,
MELVILLE, NY 11747-4501 USA
SN 0021-9606
DI 10.1063/1.3106223
PD APR 21
VL 130
IS 15
AR 154110
SC Physics, Atomic, Molecular & Chemical
GA 437KL
UT ISI:000265486300013
ER

PT J
*Record 2 of 2.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000265529700028>
*Order Full Text [ ]
AU Luo, G
Zheng, JX
Lu, J
Mei, WN
Wang, L
Lai, L
Zhou, J
Qin, R
Li, H
Gao, ZX
AF Luo, Guangfu
Zheng, Jiaxin
Lu, Jing
Mei, Wai-Ning
Wang, Lu
Lai, Lin
Zhou, Jing
Qin, Rui
Li, Hong
Gao, Zhengxiang
TI Optical Absorption Spectra of Charge-Doped Single-Walled Carbon
Nanotubes from First-Principles Calculations
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID CONDUCTIVITY ENHANCEMENT; ELECTRONIC-STRUCTURE; 1ST PRINCIPLES;
SPECTROSCOPY; TRANSITIONS; COMPOSITES; TRANSPORT; STORAGE;
NANOSTRUCTURES; TEMPERATURE
AB We calculated the optical absorption spectrum response of single-walled
carbon nanotubes under charge doping by using density functional
theory. We find that the spectrum responses can be generally divided
into two categories: one is similar to those obtained from the graphene
zone-folding and rigid-band model, while the other deviates from the
expectation and shows several special features. Our analysis reveals
that the doping type and curvature effects play the primary role.
Finally, we argue that the present results will probably prevail in
more blaborate methods and other similar nanotubes.
C1 [Luo, Guangfu; Zheng, Jiaxin; Lu, Jing; Wang, Lu; Lai, Lin; Zhou, Jing; Qin, Rui; Li, Hong; Gao, Zhengxiang] Peking Univ, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China.
[Luo, Guangfu; Zheng, Jiaxin; Lu, Jing; Wang, Lu; Lai, Lin; Zhou, Jing; Qin, Rui; Li, Hong; Gao, Zhengxiang] Peking Univ, Dept Phys, Beijing 100871, Peoples R China.
[Luo, Guangfu; Lu, Jing; Mei, Wai-Ning] Univ Nebraska, Dept Phys, Omaha, NE 68182 USA.
RP Lu, J, Peking Univ, State Key Lab Mesoscop Phys, Beijing 100871,
Peoples R China.
EM jinglu@pku.edu.cn
zxgao@pku.edu.cn
CR AN KH, 2001, ADV MATER, V13, P497
ANDERSON N, 2005, J AM CHEM SOC, V127, P2533, DOI 10.1021/ja045190i
AVOURIS P, 2008, NAT PHOTONICS, V2, P341, DOI 10.1038/nphoton.2008.94
BARONE V, 2005, NANO LETT, V5, P1621, DOI 10.1021/nl0506352
BARONE V, 2005, NANO LETT, V5, P1830, DOI 10.1021/nl0509733
BAUGHMAN RH, 1999, SCIENCE, V284, P1340
BAUGHMAN RH, 2002, SCIENCE, V297, P787
BERCIAUD S, 2007, NANO LETT, V7, P1203, DOI 10.1021/nl062933k
BIERCUK MJ, 2002, APPL PHYS LETT, V80, P2767
BLASE X, 1994, PHYS REV LETT, V72, P1878
BLASE X, 1995, PHYS REV B, V51, P6868
BURGHARD M, 2005, SURF SCI REP, V58, P1, DOI
10.1016/j.surfrep.2005.07.001
CAO Q, 2008, NATURE, V454, P495, DOI 10.1038/nature07110
CHEN J, 1998, SCIENCE, V282, P95
CHEN ZH, 2003, NANO LETT, V3, P1245, DOI 10.1021/nl0344763
CHEN ZH, 2006, SCIENCE, V311, P1735, DOI 10.1126/science.1122797
CHOI SUS, 2001, APPL PHYS LETT, V79, P2252
CRONIN SB, 2004, APPL PHYS LETT, V84, P2052, DOI 10.1063/1.1666997
DESLIPPE J, 2007, NANO LETT, V7, P1626, DOI 10.1021/nl070577f
DILLON AC, 1997, NATURE, V386, P377
DUCLAUX L, 2002, CARBON, V40, P1751
FRACKOWIAK E, 2002, CARBON, V40, P1775
FUHRER MS, 2002, NANO LETTERS, V2, P755
GHOSH S, 2003, SCIENCE, V299, P1042, DOI 10.1126/science.1079080
GULDI DM, 2005, ANGEW CHEM INT EDIT, V44, P2015, DOI
10.1002/anie.200462416
HARTSCHUH A, 2003, SCIENCE, V301, P1354
HATA K, 2004, SCIENCE, V306, P1362
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298
HUANG Y, 2001, SCIENCE, V291, P630
ISLAM M, 2004, PHYS REV LETT, P92
ISLAM MF, 2004, PHYS REV LETT, V93, ARTN 037404
JACQUEMIN R, 2000, SYNTHETIC MET, V115, P283
KAMARAS K, 2003, SCIENCE, V301, P1501
KAZAOUI S, 1999, PHYS REV B, V60, P13339
KRAMERS HA, 1926, NATURE, V117, P775
LEE J, 2002, NATURE, V415, P1005
LEE RS, 1997, NATURE, V388, P255
LI J, 2003, NANO LETT, V3, P929, DOI 10.1021/nl034220x
LIU C, 1999, SCIENCE, V286, P1127
MACHON M, 2002, PHYS REV B, V66, ARTN 155410
MALIC E, 2006, PHYS REV B, V74, ARTN 195431
MAMEDOV AA, 2002, NAT MATER, V1, P190, DOI 10.1038/nmat747
MARGINE ER, 2006, PHYS REV LETT, V96, ARTN 196803
MARINOPOULOS AG, 2003, PHYS REV LETT, V91, ARTN 046402
MAULTZSCH J, 2004, PHYS REV LETT, V93, UNSP 177401
MEYER JC, 2005, PHYS REV LETT, V95, ARTN 217401
MIYAMOTO Y, 1995, PHYS REV LETT, V74, P2993
NEATON JB, 2005, COMPUT PHYS COMMUN, V169, P1, DOI
10.1016/j.cpc.2005.03.003
NIU CM, 1997, APPL PHYS LETT, V70, P1480
OCONNELL MJ, 2005, NAT MATER, V4, P412, DOI 10.1038/nmat1367
OKADA S, 2000, PHYS REV B, V62, P7634
PERDEW JP, 1996, PHYS REV LETT, V77, P3865
PERDEW JP, 1997, PHYS REV LETT, V78, P1396
PETIT P, 1999, CHEM PHYS LETT, V305, P370
RAO SG, 2003, NATURE, V425, P36, DOI 10.1038/425036a
REICH S, 2002, PHYS REV B, V65, ARTN 155411
REN ZF, 2007, NAT NANOTECHNOL, V2, P17, DOI 10.1038/nnano.2006.192
RINZLER AG, 2006, NAT NANOTECHNOL, V1, P17, DOI 10.1038/nnano.2006.76
ROSENBLATT S, 2002, NANO LETTERS, V2, P869, DOI 10.1021/nl025639a
SAZONOVA V, 2004, NATURE, V431, P284, DOI 10.1038/nature02905
SEGALL MD, 2002, J PHYS-CONDENS MAT, V14, P2717
SFEIR MY, 2004, SCIENCE, V306, P1540, DOI 10.1126/science.1103294
SIDDONS GP, 2004, NANO LETT, V4, P927, DOI 10.1021/nl049612y
SPATARU CD, 2004, APPL PHYS A-MATER, V78, P1129, DOI
10.1007/s00339-003-2464-2
SPATARU CD, 2004, PHYS REV LETT, V92, ARTN 077402
STAR A, 2004, NANO LETT, V4, P1587, DOI 10.1021/nl0493371
STRANO MS, 2003, SCIENCE, V301, P1519
TASIS D, 2006, CHEM REV, V106, P1105, DOI 10.1021/cr050569o
TITANTAH JT, 2004, PHYS REV B, V69, ARTN 125406
USREY ML, 2005, J AM CHEM SOC, V127, P16129, DOI 10.1021/ja0537530
VEEDU VP, 2006, NAT MATER, V5, P457, DOI 10.1038/nmat1650
WANG L, 2007, J PHYS CHEM C, V111, P18864, DOI 10.1021/jp074484y
WHITE CT, 1998, NATURE, V393, P240
YAO YG, 2007, NAT MATER, V6, P283, DOI 10.1038/nmat1865
YU PY, 2001, FUNDAMENTALS SEMICON
ZHOU W, 2005, PHYS REV B, V71, ARTN 205423
NR 76
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
DI 10.1021/jp811392z
PD APR 30
VL 113
IS 17
BP 7058
EP 7064
SC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
GA 438BA
UT ISI:000265529700028
ER

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Friday, May 8, 2009

ISI Web of Knowledge Alert - Maibaum, L

ISI Web of Knowledge Citation Alert

Cited Article: Maibaum, L. A coarse-grained model of water confined in a hydrophobic tube
Alert Expires: 22 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Molecular simulation of the nanoscale water confined between an atomic force microscope tip and a surface

Authors:
Choi, HJ; Kim, JY; Hong, SD; Ha, MY; Jang, J

Author Full Names:
Choi, H. J.; Kim, J. Y.; Hong, S. D.; Ha, M. Y.; Jang, J.

Source:
MOLECULAR SIMULATION 35 (6): 466-472 2009

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
water meniscus; capillary force; AFM; molecular dynamics simulation

KeyWords Plus:
CAPILLARY FORCE; ADHESION FORCES; HUMID AIR; SYSTEMS; HYSTERESIS; ROUGHNESS; DYNAMICS; FIELD

Abstract:
Under ambient humidity, water condenses as a nanometre meniscus between an atomic force microscope (AFM) tip and a surface, giving rise to a strong capillary force on the tip. To examine the molecular features of the meniscus, we performed an all-atom molecular dynamics simulation. By varying the tip-surface distance, we have simulated the formation, thinning and snap-off of the water meniscus. The meniscus is several nanometres wide and substantially fluctuates in its periphery when its neck is narrow. The density profile of the meniscus shows that its periphery is not sharp but has a fuzzy boundary whose thickness ranges from 0.4 to 0.9 nm. We obtained the neck radius of the meniscus and the radius of curvature of its periphery. Due to the sharp asperity of the AFM tip, these two structural parameters are comparable in size, in contrast to the case of a macroscopic tip, where the neck radius is much greater. We found that the meniscus periphery is often far from a circle i!
n shape. With the structural parameters of the meniscus, we calculated the capillary force by using the Laplace-Kelvin equation. Our calculation reproduces the typical behaviour of the force-distance curve in the AFM experiment.

Reprint Address:
Jang, J, Pusan Natl Univ, Dept Nanomat Engn, Miryang, South Korea.

Research Institution addresses:
[Jang, J.] Pusan Natl Univ, Dept Nanomat Engn, Miryang, South Korea; [Choi, H. J.; Kim, J. Y.; Hong, S. D.; Ha, M. Y.] Pusan Natl Univ, Sch Mech Engn, Pusan, South Korea

E-mail Address:
jkjang@pusan.ac.kr

Cited References:
ALLEN MP, 1987, COMPUTER SIMULATION.
CRAMER T, 2008, LANGMUIR, V24, P6116, DOI 10.1021/la800220r.
CRUZCHU ER, 2006, J PHYS CHEM B, V110, P21497, DOI 10.1021/jp063896o.
DARDEN T, 1993, J CHEM PHYS, V98, P10089.
DELAZZER A, 1999, LANGMUIR, V15, P4551.
GELB LD, 1999, REP PROG PHYS, V62, P1573.
ISRAELACHVILI JN, 1991, INTERMOLECULAR SURFA.
JANG J, 2007, J CHEM PHYS, V126, P74705.
JANG J, 2007, J PHYS CHEM C, V111, P4648, DOI 10.1021/jp066667a.
JANG JK, 2004, J CHEM PHYS, V120, P1157, DOI 10.1063/1.1640332.
JANG JY, 2004, PHYS REV LETT, V92, P5504.
JINESH KB, 2006, PHYS REV LETT, V96, P6103.
JONES R, 2002, LANGMUIR, V18, P8045, DOI 10.1021/la0259196.
JORGENSEN WL, 1983, J CHEM PHYS, V79, P926.
KIM DI, 2008, LANGMUIR, V24, P1873, DOI 10.1021/1a702412y.
KUBO R, 1985, STAT PHYS, V2.
MAIBAUM L, 2003, J PHYS CHEM B, V107, P1189, DOI 10.1021/jp0267196.
MIRKIN CA, 2007, ACS NANO, V1, P79, DOI 10.1021/nn700228m.
NEIMARK AV, 2000, PHYS REV E, V62, P1493.
PARAMONOV PB, 2005, J CHEM PHYS, V123, P84705.
PHILLIPS JC, 2005, J COMPUT CHEM, V26, P1781.
SARKISOV L, 2000, LANGMUIR, V16, P9857.
SEDIN DL, 2000, ANAL CHEM, V72, P2183.
SIRGHI L, 2000, LANGMUIR, V16, P7796.
STIFTER T, 2000, PHYS REV B, V62, P13667.
TOVBIN YK, 2005, APPL SURF SCI, V252, P591, DOI 10.1016/j.apsusc.2005.02.073.
WEEKS BL, 2005, LANGMUIR, V21, P8096, DOI 10.1021/la0512087.
XIAO XD, 2000, LANGMUIR, V16, P8153.
YANG SH, 2008, CHEM PHYS LETT, V451, P88, DOI 10.1016/j.cplett.2007.11.068.

Cited Reference Count:
29

Times Cited:
0

Publisher:
TAYLOR & FRANCIS LTD; 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND

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

ISSN:
0892-7022

DOI:
10.1080/08927020802635129

IDS Number:
435UL

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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:	21 OCT 2009
Number of Citing Articles:	1 new records this week (1 in this e-mail)
Organization ID:	3b97d1bbc1878baed0ab183d8b03130b

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Title: Plastic flow in very low temperature regime within annular micropores

Authors: Chu, ZKH

Author Full Names: Chu, Z. Kwang-Hua

Source: ZEITSCHRIFT FUR ANGEWANDTE MATHEMATIK UND PHYSIK 60 (3): 529-542 MAY 2009

Language: English

Document Type: Article

Author Keywords: Low-temperature plasticity; glass material; asymptotic analysis

KeyWords Plus: CRYSTAL PLASTICITY; STRAIN-RATE; DEFORMATION; STRESS; METALS; SHEAR; LOCALIZATION; STEEL; RATES

Abstract: The rate of deformation for glassy (amorphous) matter confined in microscopic domain at very low temperature regime was investigated using a rate-state-dependent model considering the shear thinning behavior which means, once material being subjected to high shear rates, the viscosity diminishes with increasing shear rate. The preliminary results show that there might be the enhanced rate of deformation and (shear) yield stress due to the almost vanishing viscosity in micropores subjected to some surface conditions: The relatively larger roughness (compared to the macroscopic domain) inside micropores and the slip. As the pore size decreases, the surface-to-volume ratio increases and therefore, surface roughness will greatly affect the (plastic) flow in micropores. By using the boundary perturbation method, we obtained a class of microscopic fields for the rate of deformation and yield stress at low temperature regime with the presumed small wavy roughness distributed along ! the walls of an annular micropore.

Reprint Address: Chu, ZKH, 24 Lane 260,Sect 1,Rd Muja, Taipei 11646, Taiwan.

Research Institution addresses: [Chu, Z. Kwang-Hua] Nankai Univ, Chern Shiing Shen Inst Math, Tianjin 300071, Peoples R China

Cited References: ARGON A, 1995, PHYS METALLURGY.
BALASUBRAMANIAN S, 2002, J MECH PHYS SOLIDS, V50, P101.
BALKE H, 1994, INT J PLASTICITY, V10, P133.
BARDENHAGEN SG, 1997, MECH MATER, V25, P235.
BASSANI JL, 1993, ADV APPL MECH, V30, P191.
BELL JF, 1985, INT J PLASTICITY, V1, P3.
BELL JF, 1988, INT J PLASTICITY, V4, P127.
BORG U, 2007, INT J PLASTICITY, V23, P1400, DOI 10.1016/j.ijplas.2007.01.003.
BOYCE MC, 1989, INT J PLASTICITY, V5, P593.
BURNS TJ, 1994, J MECH PHYS SOLIDS, V42, P797.
CAGLE FW, 1951, J APPL PHYS, V22, P771.
CHU WKH, 1996, Z ANGEW MATH PHYS, V47, P591.
CHU ZKH, 2007, ARXIV07072828.
EYRING H, 1936, J CHEM PHYS, V4, P283.
HAWARD RN, 1997, PHYS GLASSY POLYM.
HIRATANI M, 2003, INT J PLASTICITY, V19, P1271.
HOCKETT JE, 1975, J MECH PHYS SOLIDS, V23, P87.
ISHIKAWA K, 1992, INT J PLASTICITY, V8, P947.
JIANG WH, 2008, INT J PLASTICITY, V24, P1, DOI 10.1016/j.ijplas.2007.01.015.
JOHNSON KL, 1997, P R SOC A, V453, P163.
KACZMAREK J, 2003, INT J PLASTICITY, V19, P1585.
KRAUSZ A, 1975, DEFORMATION KINETICS.
LE KC, 1998, INT J PLASTICITY, V14, P1109.
LI JY, 2007, ACTA MAT, V55, P5708.
MAGNUSSON AW, 1957, J MECH PHYS SOLIDS, V5, P172.
MAYR SG, 2006, PHYS REV LETT, V97, ARTN 195501.
MORTON PH, 1954, J MECH PHYS SOLIDS, V2, P177.
NING J, 1995, INT J PLASTICITY, V11, P183.
OSTOJASTARZEWSKI M, 2005, INT J PLASTICITY, V21, P1119, DOI 10.1016/j.ijplas.2004.06.008.
PAINTER PC, 1997, FUNDAMENTALS POLYM S.
RIZZI E, 2004, INT J PLASTICITY, V20, P121, DOI 10.1016/S0749-6419(03)00035-4.
RUSINEK A, 2001, INT J PLASTICITY, V17, P87.
STICKFORTH J, 1986, INT J PLASTICITY, V2, P347.
TAYLOR GI, 1938, J I MET, V62, P307.
THOMPSON PA, 1997, NATURE, V389, P360.
XU N, 2005, PHYS REV LETT, V94, ARTN 055701.
ZAISER M, 1995, SCRIPTA METALL MATER, V32, P1261.
ZOHDI TI, 2002, INT J PLASTICITY, V18, P1649.

Cited Reference Count: 38

Times Cited: 0

Publisher: BIRKHAUSER VERLAG AG; VIADUKSTRASSE 40-44, PO BOX 133, CH-4010 BASEL, SWITZERLAND

Subject Category: Mathematics, Applied

ISSN: 0044-2275

DOI: 10.1007/s00033-008-7153-8

IDS Number: 434UF

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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: 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:
Interaction site preference between carbon nanotube and nifedipine: A combined density functional theory and classical molecular dynamics study

Authors:
Liu, HC; Bu, YX; Mi, YJ; Wang, YX

Author Full Names:
Liu, Huichun; Bu, Yuxiang; Mi, Yunjie; Wang, Yixuan

Source:
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 901 (1-3): 163-168 MAY 15 2009

Language:
English

Document Type:
Article

Author Keywords:
Density functional theory; Molecular dynamics simulatioon; SWCNT; Nifedipine; Encapsulation

KeyWords Plus:
NONCOVALENT INTERACTIONS; DNA; STACKING; TRANSPORTERS; MECHANISM; PEPTIDES; ENERGIES; CYTOSINE; DELIVERY; CHANNEL

Abstract:
A novel hybrid density functional theory, MPWB1K, was firstly employed to investigate static adsorptions of a nifedipine on a (10, 10) type of single-walled carbon nanotube (SWCNT), which was modeled by C200H40 and C-280, respectively, For both SWCNT models the internal adsorption is more stable than the external adsorption in a range of 5.3-7.8 kcal/mol, which indicates that a nifedipine has a preference to internally adsorb on the (10, 10) SWCNT. Molecular dynamic simulations were then used to predict the dynamic behaviors of a nifedipine and the (10, 10) SWCNT system in both gas phase and aqueous solution. The classical MID simulations show that for both cases a nifedipine could spontaneously encapsulate into the SWCNT and migrate in a Surprising oscillation behavior inside the SWCNT; however, both phenomena are significantly delayed in the presence of water molecules. The present study suggests that the nanotube network may be used as an efficient tool for transporting t!
his kind of calcium channel antagonists. (C) 2009 Elsevier B.V. All rights reserved.

Reprint Address:
Bu, YX, Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Peoples R China.

Research Institution addresses:
[Liu, Huichun; Bu, Yuxiang] Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Peoples R China; [Mi, Yunjie; Wang, Yixuan] Albany State Univ, Dept Nat Sci, Albany, GA 31705 USA

E-mail Address:
byx@sdu.edu.cn; yixuan.wang@asurams.edu

Cited References:
ALLEN MP, 1987, COMPUTER SIMULATION.
BECKSTEIN O, 2001, J PHYS CHEM B, V105, P12902, DOI 10.1021/jp012233y.
BERNHOLC J, 2002, ANN REV MATER RES, V32, P347, DOI 10.1146/annurev.matsci.32.112601.134925.
BIANCO A, 2005, CURR OPIN CHEM BIOL, V9, P674, DOI 10.1016/j.cbpa.2005.10.006.
BOYS SF, 1970, MOL PHYS, V19, P553.
CHEN J, 1998, SCIENCE, V282, P95.
DELLAGO C, 2003, PHYS REV LETT, V90, ARTN 105902.
FRISCH MJ, 2004, GAUSSIAN 03 REVISION.
GAO HJ, 2003, NANO LETT, V3, P471, DOI 10.1021/nl025967a.
GOGOTSI Y, 2001, APPL PHYS LETT, V79, P1021.
HARRELL CC, 2004, J AM CHEM SOC, V126, P15646, DOI 10.1021/ja044948v.
HEMMATEENEJAD B, 2003, J CHEM INF COMP SCI, V43, P1328, DOI 10.1021/ci025661p.
HUMMER G, 2001, NATURE, V414, P188.
JANIS RA, 1987, ADV DRUG RES, V16, P309.
JOSEPH S, 2003, NANO LETT, V3, P1399, DOI 10.1021/nl0346326.
KAM NWS, 2005, P NATL ACAD SCI USA, V102, P11600, DOI 10.1073/pnas.0502680102.
KAM NWS, 2006, ANGEW CHEM INT EDIT, V45, P577, DOI 10.1002/anie.200503389.
LIU YC, 2005, PHYS REV B, V72, ARTN 085420.
LU G, 2005, NANO LETT, V5, P897, DOI 10.1021/nl050354u.
NOSE S, 1984, J CHEM PHYS, V81, P511.
NOSE S, 1984, MOL PHYS, V52, P255.
PANTAROTTO D, 2003, J AM CHEM SOC, V125, P6160, DOI 10.1021/ja034342r.
PANTAROTTO D, 2004, ANGEW CHEM INT EDIT, V43, P5242, DOI 10.1002/anie.200460437.
PANTAROTTO D, 2004, CHEM COMMUN 0107, P16, DOI 10.1039/b311254c.
PTACEK LJ, 1994, CELL, V77, P863.
SLANINA Z, 2006, J CHEM THEORY COMPUT, V2, P782, DOI 10.1021/ct0503320.
STRIOLO A, 2005, J CHEM PHYS, V122, ARTN 234712.
STRIOLO A, 2006, NANO LETT, V6, P631.
SUN H, 1998, J PHYS CHEM B, V102, P7338.
TTRZASKOWSKI B, 2006, CHEM PHYS LETT, V430, P97.
WANG YX, 2007, J PHYS CHEM B, V111, P6520, DOI 10.1021/jp0700433.
WANG YX, 2008, J PHYS CHEM C, V112, P14297, DOI 10.1021/jp803917t.
XIE YH, 2005, MATER LETT, V59, P971, DOI 10.1016/j.matlet.2004.10.079.
XU X, 2004, P NATL ACAD SCI USA, V101, P2673, DOI 10.1073/pnas.0308730100.
XUE YQ, 2006, NANOTECHNOLOGY, V17, P5126.
ZHANG Q, 2002, PHYS REV LETT, V88, P45503.
ZHAO Y, 2005, PHYS CHEM CHEM PHYS, V7, P2701, DOI 10.1039/b507036h.
ZHAO Y, 2006, J CHEM THEORY COMPUT, V2, P1009, DOI 10.1021/ct060044j.

Cited Reference Count:
38

Times Cited:
0

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

Subject Category:
Chemistry, Physical

ISSN:
0166-1280

DOI:
10.1016/j.theochem.2009.01.021

IDS Number:
437DX

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

Title:
Chemistry in nanochannel confinement

Authors:
Gardeniers, HJGE

Author Full Names:
Gardeniers, Han J. G. E.

Source:
ANALYTICAL AND BIOANALYTICAL CHEMISTRY 394 (2): 385-397 MAY 2009

Language:
English

Document Type:
Review

Author Keywords:
Water; Spectroscopy; Instrumentation; NMR; ESR; Nanoparticles; Nanotechnology; Microfluidics; Microfabrication

KeyWords Plus:
METAL-ORGANIC FRAMEWORK; CAPILLARY CONDENSATION; POTASSIUM CHANNEL; SHAPE SELECTIVITY; PHASE-SEPARATION; KELVIN EQUATION; DNA-MOLECULES; HIGH-PRESSURE; VYCOR GLASS; WATER

Abstract:
This review addresses the questions of whether it makes sense to use lithographically defined nanochannels for chemistry in liquids, and what it is possible to learn from experiments on that topic. The behavior of liquids in different classes of pores (categorized according to their size) is reviewed, with a focus on chemical reactions and protein dynamics. A number of interesting phenomena are discussed for nanochannels with feature sizes that are manufacturable with modern photolithography-based fabrication technology. The use of spectroscopic methods to investigate chemistry in nanochannels, where both spectroscopic method and nanochannels are integrated into a single device, will be evaluated.

Reprint Address:
Gardeniers, HJGE, Univ Twente, MESA Inst Nanotechnol, POB 217, NL-7500 AE Enschede, Netherlands.

Research Institution addresses:
Univ Twente, MESA Inst Nanotechnol, NL-7500 AE Enschede, Netherlands

E-mail Address:
j.g.e.gardeniers@utwente.nl

Cited References:
ABGRALL P, 2008, ANAL CHEM, V80, P2326, DOI 10.1021/ac702296u.
AVNIR D, 1994, CHEM MATER, V6, P1605.
BABA M, 2003, APPL PHYS LETT, V83, P1468, DOI 10.1063/1.1602555.
BALDESSARI F, 2008, J COLLOID INTERF SCI, V325, P526, DOI 10.1016/j.jcis.2008.06.007.
BECK JS, 1992, J AM CHEM SOC, V114, P10843.
BENKOVIC SJ, 2003, SCIENCE, V301, P1196.
BOMCHIL G, 1983, J ELECTROCHEM SOC, V130, P1611.
BROERS AN, 1988, IBM J RES DEV, V32, P502.
CAI AL, 2002, NANOTECHNOLOGY, V13, P627.
CALLENDER CL, 2005, J MATER RES, V20, P759, DOI 10.1557/JMR.2005.0102.
CAO H, 2002, APPL PHYS LETT, V81, P3058, DOI 10.1063/1.1515115.
CHUNG SH, 1999, BIOPHYS J, V77, P2517.
CHURAEV NV, 1971, SPECIAL DISCUSSION T, P213.
DESIMONE JM, 2002, SCIENCE, V297, P799.
DOYLE DA, 1998, SCIENCE, V280, P69.
EGGERS DK, 2001, J MOL BIOL, V314, P911.
EIJKEL JCT, 2005, MICROFLUID NANOFLUID, V1, P249, DOI 10.1007/s10404-004-0012-9.
EVANS R, 1990, J PHYS-CONDENS MAT, V2, P8989.
FANG HP, 2008, J PHYS D APPL PHYS, V41, ARTN 103002.
FARRER RA, 2003, ACCOUNTS CHEM RES, V36, P605, DOI 10.1021/ar0200302.
FINSY V, 2008, J AM CHEM SOC, V130, P7110, DOI 10.1021/ja800686c.
FISHER LR, 1979, NATURE, V277, P548.
FISHER LR, 1981, NATURE, V290, P575.
FORSTER T, 1948, ANN PHYSIK, V2, P55.
GALLO P, 2002, J CHEM PHYS, V116, P342.
GELB LD, 1999, REP PROG PHYS, V62, P1573.
GUO LJ, 2004, J PHYS D APPL PHYS, V37, R123, DOI 10.1088/0022-3727/37/11/R01.
GUO LJ, 2004, NANO LETT, V4, P69, DOI 10.1021/nl034877i.
HAN J, 1999, PHYS REV LETT, V83, P1688.
HANEVELD J, 2003, J MICROMECH MICROENG, V13, S62.
HARANO Y, 2005, BIOPHYS J, V89, P2701, DOI 10.1529/biophysj.104.057604.
HIBARA A, 2002, ANAL CHEM, V74, P6170, DOI 10.1021/ac025808b.
HOLT JK, 2008, MICROFLUID NANOFLUID, V5, P425, DOI 10.1007/s10404-008-0301-9.
HUMMER G, 2001, NATURE, V414, P188.
IMAI T, 2007, J CHEM PHYS, V126, ARTN 225102.
JENNER G, 1995, NEW J CHEM, V19, P173.
JENNER G, 2002, TETRAHEDRON, V58, P5185.
KAJI N, 2006, ANAL BIOANAL CHEM, V386, P759, DOI 10.1007/s00216-006-0469-3.
KIEVSKY YY, 2008, J CHEM PHYS, V128, ARTN 151102.
KIM DH, 2001, APPL PHYS LETT, V79, P3812.
KITTAKA S, 2005, J PHYS CHEM B, V109, P23162, DOI 10.1021/jp052476g.
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, ARTN 035503.
KRISHNA R, 1997, CHEM ENG SCI, V52, P861.
KUKLA V, 1996, SCIENCE, V272, P702.
LEVITT DG, 1973, PHYS REV A, V8, P3050.
LI H, 1999, NATURE, V402, P276.
LIU SR, 2005, NANO LETT, V5, P1389, DOI 10.1021/nl050712t.
LUNDSTROM P, 2005, P NATL ACAD SCI USA, V102, P16984, DOI 10.1073/pnas.0504361102.
MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
MAO P, 2009, LAB CHIP, V9, P586, DOI 10.1039/b809370a.
MARTIN F, 2005, J CONTROL RELEASE, V102, P123, DOI 10.1016/j.jconrel.2004.09.024.
MARTIN F, 2005, J CONTROL RELEASE, V102, P183.
MCNAUGHT AD, 1997, IUPAC COMPENDIUM CHE.
MENAA B, 2008, BIOMATERIALS, V29, P2710, DOI 10.1016/j.biomaterials.2008.02.026.
MINTON AP, 2001, J BIOL CHEM, V276, P10577.
MOORTHY J, 2007, ANAL CHEM, V79, P5322, DOI 10.1021/ac070226l.
MORISHIGE K, 1997, LANGMUIR, V13, P3494.
MORISHIGE K, 1998, J CHEM PHYS, V108, P7821.
MURATA K, 2000, NATURE, V407, P599.
NICHOLS KP, 2008, LAB CHIP, V8, P173, DOI 10.1039/b715917j.
OH YJ, 2008, LAB CHIP, V8, P251, DOI 10.1039/b711682a.
PAN L, 2006, ANGEW CHEM INT EDIT, V45, P616, DOI 10.1002/anie.200503503.
PERRY JL, 2006, MICROFLUID NANOFLUID, V2, P185, DOI 10.1007/s10404-005-0068-1.
ROTHSCHILD LJ, 2001, NATURE, V409, P1092.
SCHENK M, 2002, ANGEW CHEM INT EDIT, V41, P2499.
SCHOCH RB, 2007, NANO LETT, V7, P3895, DOI 10.1021/nl0724788.
SCHOCH RB, 2008, REV MOD PHYS, V80, P839, DOI 10.1103/RevModPhys.80.839.
SMIT B, 2008, CHEM REV, V108, P4125, DOI 10.1021/cr8002642.
SMIT B, 2008, NATURE, V451, P671, DOI 10.1038/nature06552.
SORIN EJ, 2006, J AM CHEM SOC, V128, P6316, DOI 10.1021/ja060917j.
SPARREBOOM W, 2008, LAB CHIP, V8, P402, DOI 10.1039/b716382g.
STERN MB, 1997, J VAC SCI TECHNOL B, V15, P2887.
STRATHMANN H, 2004, MEMBRANE SCI TECHNOL, V9.
TAKAHARA S, 2008, J PHYS CHEM C, V112, P14385, DOI 10.1021/jp8015062.
TAS NR, 2002, NANO LETT, V2, P1031, DOI 10.1021/nl025693r.
TAS NR, 2004, APPL PHYS LETT, V85, P3274, DOI 10.1063/1.1804602.
TEGENFELDT JO, 2004, ANAL BIOANAL CHEM, V378, P1678, DOI 10.1007/s00216-004-2526-0.
TEGENFELDT JO, 2004, BIOPHYS J S 2, V86, A596.
TELL JL, 1983, PHYS REV B, V28, P5122.
TIGGELAAR RM, 2007, CHEM ENG J, V131, P163, DOI 10.1016/j.cej.2006.12.036.
TSUKAHARA T, 2007, ANGEW CHEM INT EDIT, V46, P1180, DOI 10.1002/anie.200604502.
TSUKAHARA T, 2008, ANAL BIOANAL CHEM, V391, P2745, DOI 10.1007/s00216-008-2198-2.
TURNER SWP, 2002, PHYS REV LETT, V88, ARTN 128103.
VANBENTUM PJM, 2007, J MAGN RESON, V189, P104, DOI 10.1016/jjmr.2007.08.019.
WANG XY, 2008, J CHROMATOGR A, V1200, P108, DOI 10.1016/j.chroma.2008.05.088.
WARNOCK J, 1986, PHYS REV LETT, V57, P1753.
WONG PK, 2003, J FLUID MECH, V497, P55.
YOO K, 2003, J PHYS CHEM B, V107, P13593, DOI 10.1021/jp0307708.
ZARRAGOICOECHEA GJ, 2004, FLUID PHASE EQUILIBR, V220, P7, DOI 10.1016/j.fluid.2004.02.014.

Cited Reference Count:
89

Times Cited:
0

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

Subject Category:
Biochemical Research Methods; Chemistry, Analytical

ISSN:
1618-2642

DOI:
10.1007/s00216-009-2672-5

IDS Number:
436BU

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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: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Chemistry in nanochannel confinement

Authors:
Gardeniers, HJGE

Author Full Names:
Gardeniers, Han J. G. E.

Source:
ANALYTICAL AND BIOANALYTICAL CHEMISTRY 394 (2): 385-397 MAY 2009

Language:
English

Document Type:
Review

Author Keywords:
Water; Spectroscopy; Instrumentation; NMR; ESR; Nanoparticles; Nanotechnology; Microfluidics; Microfabrication

KeyWords Plus:
METAL-ORGANIC FRAMEWORK; CAPILLARY CONDENSATION; POTASSIUM CHANNEL; SHAPE SELECTIVITY; PHASE-SEPARATION; KELVIN EQUATION; DNA-MOLECULES; HIGH-PRESSURE; VYCOR GLASS; WATER

Reprint Address:
Gardeniers, HJGE, Univ Twente, MESA Inst Nanotechnol, POB 217, NL-7500 AE Enschede, Netherlands.

Research Institution addresses:
Univ Twente, MESA Inst Nanotechnol, NL-7500 AE Enschede, Netherlands

E-mail Address:
j.g.e.gardeniers@utwente.nl

Cited Reference Count:
89

Times Cited:
0

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

Subject Category:
Biochemical Research Methods; Chemistry, Analytical

ISSN:
1618-2642

DOI:
10.1007/s00216-009-2672-5

IDS Number:
436BU

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