Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
A Linear Chain of Water Molecules Accommodated in a Macrocyclic Nanotube Channel
Authors:
Ono, K; Tsukamoto, K; Hosokawa, R; Kato, M; Suganuma, M; Tomura, M; Sako, K; Taga, K; Saito, K
Author Full Names:
Ono, Katsuhiko; Tsukamoto, Kenichi; Hosokawa, Ryohei; Kato, Masaki; Suganuma, Motohiro; Tomura, Masaaki; Sako, Katsuya; Taga, Keijiro; Saito, Katsuhiro
Source:
NANO LETTERS 9 (1): 122-125 JAN 2009
Language:
English
Document Type:
Article
KeyWords Plus:
SHAPE-PERSISTENT; PORPHYRIN; INCLUSION; TRANSISTORS; CONDUCTION; FULLERENE; ACETYLENE
Abstract:
A macrocyclic tetramer of 2-phenyl-1,3,4-oxadiazole was synthesized, and its self-assembly was investigated. The macrocycle was stacked to form a one-dimensional (1D) columnar structure containing water molecules. The nanotube self-assembled into a bundle, which grew into a molecular wire. The association of the water molecules in the tubular cavity resulted in shielding of the 1D chain of water molecules by the nanotube; these macrocyclic nanotube channels are promising candidates for nanotechnological applications.
Reprint Address:
Ono, K, Nagoya Inst Technol, Dept Mat Sci & Engn, Showa Ku, Nagoya, Aichi 4668555, Japan.
Research Institution addresses:
[Ono, Katsuhiko; Tsukamoto, Kenichi; Hosokawa, Ryohei; Sako, Katsuya; Taga, Keijiro; Saito, Katsuhiro] Nagoya Inst Technol, Dept Mat Sci & Engn, Showa Ku, Nagoya, Aichi 4668555, Japan; [Kato, Masaki; Suganuma, Motohiro] Aichi Ind Technol Inst, Kariya, Aichi 4480003, Japan; [Tomura, Masaaki] Inst Mol Sci, Okazaki, Aichi 4448585, Japan
E-mail Address:
ono.katsuhiko@nitech.ac.jp
Cited References:
ATWOOD JL, 1996, COMPREHENSIVE SUPRAM, V1.
BALAKRISHNAN K, 2006, J AM CHEM SOC, V128, P6576, DOI 10.1021/ja0618550.
BAO ZA, 1998, J AM CHEM SOC, V120, P207.
CHERUZEL LE, 2003, ANGEW CHEM INT EDIT, V42, P5452, DOI 10.1002/anie.200352157.
ENOZAWA H, 2006, ORG LETT, V8, P1917, DOI 10.1021/0605530.
FOIS E, 2001, J PHYS CHEM B, V105, P3012.
FRISCH MJ, 2004, GAUSSIAN 03 REVISION.
GRAVE C, 2002, EUR J ORG CHEM SEP, P3075.
HELSEL AJ, 2008, J AM CHEM SOC, V130, P15784.
HOGER S, 2002, J AM CHEM SOC, V124, P6734.
HUIJSER A, 2008, J AM CHEM SOC, V130, P2485, DOI 10.1021/ja075162a.
HUMMER G, 2001, NATURE, V414, P188.
IKEDA T, 2006, J AM CHEM SOC, V128, P16008, DOI 10.1021/ja067001x.
INOKUMA Y, 2007, J AM CHEM SOC, V129, P4747, DOI 10.1021/ja069324z.
IWANAGA T, 2006, ANGEW CHEM INT EDIT, V45, P3643, DOI 10.1002/anie.200504499.
JUNG SH, 2006, ANGEW CHEM INT EDIT, V45, P4685, DOI 10.1002/anie.200601131.
KAWASE T, 2003, ANGEW CHEM INT EDIT, V42, P1621, DOI 10.1002/anie.200250727.
KAWASE T, 2003, ANGEW CHEM INT EDIT, V42, P1624, DOI 10.1002/anie.200250728.
KROMER J, 2000, ANGEW CHEM INT EDIT, V39, P3481.
LEHN JM, 1995, SUPRAMOLECULAR CHEM.
LI YJ, 2008, ANGEW CHEM INT EDIT, V47, P2649, DOI 10.1002/anie.200704717.
MEIER H, 2002, SYNTHESIS-STUTTGART, P1213.
NAKAO K, 2006, J AM CHEM SOC, V128, P16740, DOI 10.1021/ja067077t.
ONO K, 2005, MACROMOL CHEM PHYSIC, V206, P1576, DOI 10.1002/macp.200500122.
PAN GB, 2006, J AM CHEM SOC, V128, P4218, DOI 10.1021/ja060469f.
SEO SH, 2006, J AM CHEM SOC, V128, P9264, DOI 10.1021/ja060354b.
SHIRAKAWA M, 2003, J AM CHEM SOC, V125, P9902, DOI 10.1021/ja035933k.
SONG YB, 2006, J AM CHEM SOC, V128, P15940, DOI 10.1021/ja064726s.
TAHARA K, 2008, J AM CHEM SOC, V130, P14339, DOI 10.1021/ja804604y.
TAHARA K, 2008, J AM CHEM SOC, V130, P6666, DOI 10.1021/ja711422h.
TAKULAPALLI BR, 2008, J AM CHEM SOC, V130, P2226, DOI 10.1021/ja076328a.
WILLIAMSHARRY M, 2008, J AM CHEM SOC, V130, P3252, DOI 10.1021/ja078246s.
WON CY, 2007, J AM CHEM SOC, V129, P2748, DOI 10.1021/ja0687318.
YANG J, 2008, J AM CHEM SOC, V130, P1879.
YANG J, 2008, J AM CHEM SOC, V130, P612, DOI 10.1021/ja076001+.
YOSHIMOTO S, 2008, J AM CHEM SOC, V130, P1085, DOI 10.1021/ja077407p.
ZHAO TY, 2006, J ORG CHEM, V71, P7422, DOI 10.1021/jo0611869.
ZIMMERLI U, 2005, NANO LETT, V5, P1017, DOI 10.1021/nl0503126.
Cited Reference Count:
38
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1530-6984
DOI:
10.1021/nl802672u
IDS Number:
395IZ
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Title:
Sodium Diffusion through Aluminum-Doped Zeolite BEA System: Effect of Water Solvation
Authors:
Kim, H; Deng, WQ; Goddard, WA; Jang, SS; Davis, ME; Yan, Y
Author Full Names:
Kim, Hyungjun; Deng, Wei-Qiao; Goddard, William A., III; Jang, Seung Soon; Davis, Mark E.; Yan, Yushan
Source:
JOURNAL OF PHYSICAL CHEMISTRY C 113 (3): 819-826 JAN 22 2009
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; POLYMER ELECTROLYTE MEMBRANES; FUEL-CELLS; NANOPHASE-SEGREGATION; BETA-ALUMINA; FORCE-FIELD; ADSORPTION; TRANSPORT; HYDRATION; NA+-ZEOLITE-4A
Abstract:
To investigate the effect of hydration on the diffusion of sodium ions through the aluminum-doped zeolite BEA system (Si/Al = 30), we used the grand canonical Monte Carlo (GCMC) method to predict the water absorption into aluminosilicate zeolite structure under various conditions of vapor pressure and temperature, followed by molecular dynamics (MD) simulations to investigate how the sodium diffusion depends on the concentration of water molecules. The predicted absorption isotherm shows first-order-like transition, which is commonly observed in hydrophobic porous systems. The MD trajectories indicate that the sodium ions diffuse through zeolite porous structures via hopping mechanism, as previously discussed for similar solid electrolyte systems. These results show that above 15 wt % hydration (good solvation regime) the formation of the solvation cage dramatically increases sodium diffusion by reducing the hopping energy barrier by 25% from the value of 3.8 kcal/mol observ!
ed in the poor solvation regime.
Reprint Address:
Goddard, WA, CALTECH, Mat & Proc Simulat Ctr, MC 139-74, Pasadena, CA 91125 USA.
Research Institution addresses:
[Kim, Hyungjun; Deng, Wei-Qiao; Goddard, William A., III] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA; [Jang, Seung Soon] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA; [Davis, Mark E.] CALTECH, Dept Chem Engn, Pasadena, CA 91125 USA; [Yan, Yushan] Univ Calif Riverside, Dept Environm Chem & Engn, Riverside, CA 92521 USA
E-mail Address:
wag@wag.caltech.edu; SeungSoon.Jang@mse.gatech.edu
Cited References:
ALLEN MP, 1987, COMPUTER SIMULATION.
BAERLOCHER C, DATABASE ZEOLITE STR.
BROVCHENKO I, 2004, J CHEM PHYS, V120, P1958, DOI 10.1063/1.1631919.
BURCHART ED, 1992, ZEOLITES, V12, P183.
CALERO S, 2004, J AM CHEM SOC, V126, P11377, DOI 10.1021/ja0476056.
CARRETTE L, 2000, CHEMPHYSCHEM, V1, P162.
DAVIS ME, 2002, NATURE, V417, P813.
DEMKOV AA, 1996, CHEM MATER, V8, P1793.
DESBIENS N, 2005, ANGEW CHEM INT EDIT, V44, P5310, DOI 10.1002/anie.200501250.
DESBIENS N, 2005, J PHYS CHEM B, V109, P24071, DOI 10.1021/jp054168o.
DILELLA A, 2006, PHYS CHEM CHEM PHYS, V8, P5396, DOI 10.1039/b610621h.
FAUX DA, 1997, J PHYS CHEM B, V101, P1762.
FAUX DA, 1998, J PHYS CHEM B, V102, P10658.
FAUX DA, 1999, J PHYS CHEM B, V103, P7803.
FRANKE ME, 2000, PHYS STATUS SOLIDI B, V218, P287.
FRENKEL D, 2002, UNDERSTANDING MOL SI.
GALLO P, 2002, J CHEM PHYS, V116, P342.
GIAYA A, 2002, J CHEM PHYS, V117, P3464.
GOODBODY SJ, 1991, J CHEM SOC FARADAY T, V87, P1951.
GORBACH A, 2004, ADSORPTION, V10, P29.
HICKNER MA, 2005, FUEL CELLS, V5, P213, DOI 10.1002/fuce.200400064.
HOCKNEY RW, 1981, COMPUTER SIMULATION.
HOLMBERG BA, 2005, MICROPOR MESOPOR MAT, V80, P347, DOI 10.1016/j.micromeso.2005.01.010.
HUMMER G, 2001, NATURE, V414, P188.
JANG SS, 2004, J PHYS CHEM B, V108, P3149, DOI 10.1021/jp036842c.
JANG SS, 2005, J PHYS CHEM B, V109, P10154, DOI 10.1021/jp050125w.
JANG SS, 2007, J PHYS CHEM C, V111, P2759, DOI 10.1021/jp066014u.
KEFFER D, 1996, MOL PHYS, V87, P367.
KIM KK, 1979, J PHYS CHEM SOLIDS, V40, P743.
KREUER KD, 2001, J MEMBRANE SCI, V185, P29.
LEE Y, 2002, NATURE, V420, P485, DOI 10.1038/nature01265.
LEVITT M, 1997, J PHYS CHEM B, V101, P5051.
LI QF, 2003, CHEM MATER, V15, P4896, DOI 10.1021/cm0310519.
MAURIN G, 2004, J PHYS CHEM B, V108, P3739, DOI 10.1021/jp034151a.
MAURIN G, 2005, J PHYS CHEM B, V109, P125, DOI 10.1021/jp0461753.
MAURITZ KA, 2004, CHEM REV, V104, P4535, DOI 10.1021/cr0207123.
PADDISON SJ, 2003, ANNU REV MATER RES, V33, P289, DOI 10.1146/annurev.matsei.33.022702.155102.
PLIMPTON S, 1995, J COMPUT PHYS, V117, P1.
RAPPE AK, 1991, J PHYS CHEM-US, V95, P3358.
RAZMUS DM, 1991, AICHE J, V37, P769.
SOPER AK, 1986, CHEM PHYS, V107, P47.
SWOPE WC, 1982, J CHEM PHYS, V76, P637.
TRUSKETT TM, 2001, J CHEM PHYS, V114, P2401.
VAUDRY F, 1997, ZEOLITES, V19, P253.
WHITTINGHAM MS, 1971, J CHEM PHYS, V54, P414.
ZONES SI, 1996, CURR OPIN SOLID ST M, V1, P107.
Cited Reference Count:
46
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1932-7447
DOI:
10.1021/jp804873s
IDS Number:
395KC
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Title:
Molecular Dynamics Study of Pore Inner Wall Modification Effect in Structure of Water Molecules Confined in Single-Walled Carbon Nanotubes
Authors:
Zhu, YD; Wei, MJ; Shao, Q; Lu, LH; Lu, XH; Shen, WF
Author Full Names:
Zhu, Yudan; Wei, Mingjie; Shao, Qing; Lu, Linghong; Lu, Xiaohua; Shen, Wenfeng
Source:
JOURNAL OF PHYSICAL CHEMISTRY C 113 (3): 882-889 JAN 22 2009
Language:
English
Document Type:
Article
KeyWords Plus:
STATIC PROPERTIES; ICE NANOTUBES; ADSORPTION; AQUAPORIN; NANOPORES; HYDRATION; CHANNEL; HYDROPHILICITY; HYDROPHOBICITY; SIMULATION
Abstract:
The behavior of water molecules under nanoscale confinement has received considerable attention, especially for the influence caused by the modified groups of pores. To better design bionic nanodevices for future research, we anchored carboxyl acid (-COOH) groups onto the inner wall of a single-walled armchair carbon nanotube's (CNT's) central region to model the pore shape of aquaporin-1 and investigated the effect of modified groups on the structure of water molecules. The orientations and density distributions of water molecules in the CNTs and near the tube mouths have been studied by molecular dynamics simulation. The results indicate that water molecules confined inside the two unmodified regions have opposite and steady preferential dipole orientations pointing toward the -COOH groups on the central region of the CNT. Meanwhile the orientations of water molecules near the tube mouths which are certain distances away from the -COOH groups are also affected. This phenom!
enon becomes stronger as the number of -COOH groups increases and the CNT diameter decreases. In addition, the results show that the -COOH groups on the inner wall of the central region have a slight effect on the axial density distribution of the water molecules near the tube mouths, but a strong impact on that of water molecules inside the CNTs. Different distances between the -COOH groups and tube mouths can create diverse axial density distributions of water molecules.
Reprint Address:
Lu, XH, Nanjing Univ Technol, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Peoples R China.
Research Institution addresses:
[Zhu, Yudan; Wei, Mingjie; Shao, Qing; Lu, Linghong; Lu, Xiaohua] Nanjing Univ Technol, State Key Lab Mat Oriented Chem Engn, Nanjing 210009, Peoples R China; [Shen, Wenfeng] Shanghai Univ, Sch Engn & Comp Sci, Shanghai 200070, Peoples R China
E-mail Address:
xhlu@njut.edu.cn
Cited References:
ADELMAN SA, 1976, J CHEM PHYS, V64, P2375.
BAGCHI B, 2005, CHEM REV, V105, P3197, DOI 10.1021/cr020661+.
BALL P, 2003, NATURE, V423, P25, DOI 10.1038/423025a.
BEAUVAIS C, 2004, CHEMPHYSCHEM, V5, P1791, DOI 10.1002/cphc.2004000195.
BERENDSEN HJC, 1984, J CHEM PHYS, V81, P3684.
BERENDSEN HJC, 1987, J PHYS CHEM-US, V91, P6269.
BORGNIA M, 1999, ANNU REV BIOCHEM, V68, P425.
BRENNAN JK, 2001, COLLOID SURF A, V539, P187.
BYL O, 2006, J AM CHEM SOC, V128, P12090, DOI 10.1021/ja057856u.
DARDEN T, 1993, J CHEM PHYS, V98, P10089.
DESBIENS N, 2005, ANGEW CHEM INT EDIT, V44, P5310, DOI 10.1002/anie.200501250.
FLOQUET N, 2005, ADSORPTION S1, V11, P139.
GALLO P, 2000, J CHEM PHYS, V113, P11324.
GELB LD, 1999, REP PROG PHYS, V62, P1573.
GIOVAMBATTISTA N, 2007, J PHYS CHEM C, V111, P1323.
HUANG LL, 2006, J PHYS CHEM B, V10, P25761.
HUANG LL, 2006, PHYS CHEM CHEM PHYS, V8, P3836, DOI 10.1039/b604585p.
HUMMER G, 2001, NATURE, V414, P188.
JORGENSEN WL, 1996, J AM CHEM SOC, V118, P11225.
KIMURA T, 2004, J PHYS CHEM B, V108, P14043, DOI 10.1021/jp048934n.
KOGA K, 2001, NATURE, V412, P802.
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, ARTN 035503.
LEFEVRE B, 2004, J CHEM PHYS, V120, P4927, DOI 10.1063/1.1643728.
MAMONTOV E, 2006, J CHEM PHYS, V124, ARTN 194703.
MARCHI M, 2002, J AM CHEM SOC, V124, P6787.
MASHL RJ, 2003, NANO LETT, V3, P589, DOI 10.1021/nl0340226.
MURATA K, 2000, NATURE, V407, P599.
NOON WH, 2002, CHEM PHYS LETT, V355, P445.
OHBA T, 2004, J AM CHEM SOC, V126, P1560, DOI 10.1021/ja038842w.
OHBA T, 2005, NANO LETT, V5, P227, DOI 10.1021/nl048327b.
OUYANG M, 2002, ACCOUNTS CHEM RES, V35, P1018, DOI 10.1021/ar0101685.
PAL SK, 2002, J PHYS CHEM B, V106, P12376, DOI 10.1021/jp0213506.
PAN YS, 2004, J PHYS CHEM B, V108, P6458, DOI 10.1021/jp037219v.
PHILLIPS JC, 2005, J COMPUT CHEM, V26, P1781.
PRATT LR, 2002, CHEM REV, V102, P2671, DOI 10.1021/cr000692+.
RAGHUNATHAN AV, 2006, PHYS REV LETT, V97, P4.
SHIOMI J, 2007, J PHYS CHEM C, V111, P12188, DOI 10.1021/jp071508s.
STRIOLO A, 2005, ADSORPTION S1, V11, P397.
STRIOLO A, 2007, NANOTECHNOLOGY, V18, ARTN 475704.
TAJKHORSHID E, 2002, SCIENCE, V296, P525.
TAKAIWA D, 2007, MOL SIMULAT, V33, P127, DOI 10.1080/08927020601059893.
TRZPIT M, 2007, LANGMUIR, V23, P10131, DOI 10.1021/la7011205.
WANG J, 2004, PHYS CHEM CHEM PHYS, V6, P829, DOI 10.1039/b313307a.
WANG Y, 2005, STRUCTURE, V13, P1107.
YU B, 1999, P NATL ACAD SCI USA, V96, P103.
ZANGI R, 2004, J PHYS CONDENS MATT, V16, P5371.
ZHENG J, 2005, J CHEM PHYS, V122, ARTN 214702.
ZHOU RH, 2004, SCIENCE, V305, P1605.
ZHU FQ, 2003, BIOPHYS J, V85, P236.
Cited Reference Count:
49
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1932-7447
DOI:
10.1021/jp8089006
IDS Number:
395KC
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