Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Title:
Bottom-up realization of a porous metal-organic nanotubular assembly
Authors:
Otsubo, K; Wakabayashi, Y; Ohara, J; Yamamoto, S; Matsuzaki, H; Okamoto, H; Nitta, K; Uruga, T; Kitagawa, H
Author Full Names:
Otsubo, Kazuya; Wakabayashi, Yusuke; Ohara, Jun; Yamamoto, Shoji; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Nitta, Kiyofumi; Uruga, Tomoya; Kitagawa, Hiroshi
Source:
NATURE MATERIALS 10 (4): 291-295 APR 2011
Language:
English
Document Type:
Article
KeyWords Plus:
CARBON NANOTUBES; LADDER COMPOUNDS; DENSITY-WAVE; VALENCE; COMPLEXES; STATE; PD
Abstract:
Nanotubes are generally prepared from their constituent elements at high temperatures, and thus it is difficult to control their size, shape and electronic states. One useful approach for synthesizing well-defined nanostructures involves the use of building blocks such as metal ions and organic molecules. Here, we show the successful creation of an assembly of infinite square prism-shaped metal-organic nanotubes obtained from the simple polymerization of a square-shaped metal-organic frame. The constituent nanotube has a one-dimensional (1D) channel with a window size of 5.9 x 5.9 angstrom(2), and can adsorb water (H2O) and alcohol vapours, whereas N-2 and CO2 do not adhere. It consists of four 1D covalent chains that constitute a unique electronic structure of 'charge-density wave (CDW) quartets' on crystallization. Moreover, exchanging structural components and guest molecules enables us to control its semiconductive bandgap. These findings demonstrate the possibility of bo
ttom-up construction of new porous nanotubes, where their degrees of freedom in both pore space and framework can be used.
Reprint Address:
Otsubo, K, Kyoto Univ, Grad Sch Sci, Div Chem, Sakyo Ku, Kitashirakawa Oiwake Cho, Kyoto 6068502, Japan.
Research Institution addresses:
[Otsubo, Kazuya; Kitagawa, Hiroshi] Kyoto Univ, Grad Sch Sci, Div Chem, Sakyo Ku, Kyoto 6068502, Japan; [Otsubo, Kazuya; Kitagawa, Hiroshi] Kyushu Univ, Fac Sci, Dept Chem, Higashi Ku, Fukuoka 8128581, Japan; [Otsubo, Kazuya; Okamoto, Hiroshi; Kitagawa, Hiroshi] Japan Sci & Technol Agcy JST, Core Res Evolut Sci & Technol CREST, Chiyoda Ku, Tokyo 1020075, Japan; [Wakabayashi, Yusuke] Osaka Univ, Grad Sch Engn Sci, Div Mat Phys, Toyonaka, Osaka 5608531, Japan; [Ohara, Jun; Yamamoto, Shoji] Hokkaido Univ, Fac Sci, Div Phys, Kita Ku, Sapporo, Hokkaido 0600810, Japan; [Matsuzaki, Hiroyuki; Okamoto, Hiroshi] Univ Tokyo, Grad Sch Frontier Sci, Dept Adv Mat Sci, Chiba 2778561, Japan; [Nitta, Kiyofumi; Uruga, Tomoya] Japan Synchrotron Radiat Res Inst JASRI, Sayo, Hyogo 6795198, Japan; [Kitagawa, Hiroshi] Kyoto Univ, Inst Integrated Cell Mat Sci iCeMS, Sakyo Ku, Kyoto 6068501, Japan; [Kitagawa, Hiroshi] Kyushu Univ, INAMORI Frontier Res Ctr, Nishi Ku, Fukuoka 8193095, Japan
E-mail Address:
kazuya@kuchem.kyoto-u.ac.jp; kitagawa@kuchem.kyoto-u.ac.jp
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Cited Reference Count:
30
Times Cited:
0
Publisher:
NATURE PUBLISHING GROUP; MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
Subject Category:
Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter
ISSN:
1476-1122
DOI:
10.1038/NMAT2963
IDS Number:
739UU
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Title:
Urea-Induced Drying of Hydrophobic Nanotubes: Comparison of Different Urea Models
Authors:
Xiu, P; Yang, ZX; Zhou, B; Das, P; Fang, HP; Zhou, RH
Author Full Names:
Xiu, Peng; Yang, Zaixing; Zhou, Bo; Das, Payel; Fang, Haiping; Zhou, Ruhong
Source:
JOURNAL OF PHYSICAL CHEMISTRY B 115 (12): 2988-2994 MAR 31 2011
Language:
English
Document Type:
Article
KeyWords Plus:
MOLECULAR-DYNAMICS; PROTEIN DENATURATION; CHEMICAL DENATURATION; COMPUTER-SIMULATION; POTENTIAL FUNCTIONS; CARBON NANOTUBES; WATER MIXTURES; DIPOLE-MOMENT; FORCE-FIELD; GUANIDINIUM
Abstract:
In a previous study, we performed the molecular dynamics (MD) simulations of various carbon nanotubes solvated in 8 M urea and observed a striking phenomenon of urea-induced drying of hydrophobic nanotubes, which resulted from the stronger dispersion interaction of urea than water with nanotube (Das, P.; Zhou, R. H. J. Phys. Chem. B 2010, 114, 5427-5430). In this paper, we have compared five different urea models to investigate if the above phenomenon is sensitive to the urea models used. We demonstrate through MD simulations that the drying phenomenon and its physical mechanism are qualitatively independent of the urea models. Consistent with our previous study, our current analyses with both interaction potential energy and association free energy indicate that there is a "dry state" inside the carbon nanotubes, which is caused by the urea's preferential binding to nanotubes through stronger dispersion interactions. These results also have implications for understanding the
urea-induced protein denaturation by providing further evidence of the potential existence of a "dry globule"-like transient state during protein unfolding and the "direct interaction mechanism" (whereby urea attacks protein directly, rather than disrupts water structure as a "water breaker"). In addition, our study highlights the crucial role of dispersion interaction in the selective absorption of molecules in hydrophobic nanopores and may have significance for nanoscience and nanotechnology.
Reprint Address:
Zhou, RH, IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, 1101 Kitchawan Rd, Yorktown Hts, NY 10598 USA.
Research Institution addresses:
[Das, Payel; Zhou, Ruhong] IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, Yorktown Hts, NY 10598 USA; [Xiu, Peng; Yang, Zaixing] Zhejiang Univ, Dept Phys, Bio X Lab, Hangzhou 310027, Zhejiang, Peoples R China; [Zhou, Bo; Fang, Haiping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; [Zhou, Bo] Chinese Acad Sci, Grad Sch, Beijing 100080, Peoples R China
E-mail Address:
ruhongz@us.ibm.com
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Cited Reference Count:
56
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/jp108303q
IDS Number:
738MU
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