Friday, March 11, 2011

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 22 AUG 2011
Number of Citing Articles: 11 new records this week (11 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Carbon nanotubes in benzene: internal and external solvation

Authors:
Shim, Y; Jung, Y; Kim, HJ

Author Full Names:
Shim, Youngseon; Jung, YounJoon; Kim, Hyung J.

Source:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 (9): 3969-3978 2011

Language:
English

Document Type:
Article

KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATION; IONIC LIQUID; ROTATIONAL DIFFUSION; COMPUTER-SIMULATION; WATER; RELAXATION; TRANSITION; TRANSPORT; PRESSURE

Abstract:
The structure and dynamics of benzene inside and outside of single-walled carbon nanotubes (SWNTs) in the (n,n) armchair configuration are studied via molecular dynamics computer simulations. Irrespective of the nanotube diameter, benzene molecules form cylindrical solvation shell structures on the outside of the nanotubes. Their molecular planes near the SWNTs in the first external solvation shell are oriented parallel to the nanotube surface, forming a pi-stacked structure between the two. By contrast, the benzene distributions in the interior of the SWNTs are found to vary markedly with the nanotube diameter. In the case of the (7,7) and (8,8) nanotubes, internal benzene forms a single-file distribution, either in a vertex-to-vertex (n = 7) or face-to-face (n = 8) orientation between two neighboring molecules. Inside a slightly wider (9,9) nanotube channel, however, a cylindrical single-shell distribution of benzene arises. A secondary solvation structure, which begins to
appear inside (10,10), develops into a full structure separate from the first internal solvation shell in (12,12). The ring orientation of internal benzene is generally parallel to the nanotube wall for n = 9-12, while it becomes either slanted with respect to (n = 7), or perpendicular to (n = 8), the nanotube axis. The confinement inside the small nanotube pores exerts a strong influence on the dynamics of benzene. Both translational and rotational dynamics inside SWNTs are slower and more anisotropic than in liquid benzene. It is also found that reorientational dynamics of internal benzene deviate dramatically from the rotational diffusion regime and change substantially with the nanotube diameter.

Reprint Address:
Jung, Y, Seoul Natl Univ, Dept Chem, Seoul 151747, South Korea.

Research Institution addresses:
[Shim, Youngseon; Jung, YounJoon] Seoul Natl Univ, Dept Chem, Seoul 151747, South Korea; [Shim, Youngseon; Kim, Hyung J.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA; [Kim, Hyung J.] Korea Inst Adv Study, Sch Computat Sci, Seoul 130722, South Korea

E-mail Address:
yjjung@snu.ac.kr; hjkim@cmu.edu

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Times Cited:
0

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

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

ISSN:
1463-9076

DOI:
10.1039/c0cp01845g

IDS Number:
722DP

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Title:
Vibration analysis of a single-walled carbon nanotube under action of a moving harmonic load based on nonlocal elasticity theory

Authors:
Simsek, M

Author Full Names:
Simsek, Mesut

Source:
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 43 (1): 182-191 NOV 2010

Language:
English

Document Type:
Article

Author Keywords:
Vibration; Nonlocal elasticity theory; Carbon nanotubes; Moving loads

KeyWords Plus:
FUNCTIONALLY GRADED BEAM; SHEAR DEFORMATION-THEORY; PRESTRESSED DAMPED BEAM; TIMOSHENKO-BEAM; DYNAMIC-ANALYSIS; CONTINUUM-MECHANICS; MODELS; FORCE; TUBES

Abstract:
In the present study, forced vibration of a simply supported single-walled carbon nanotube (SWCNT) subjected to a moving harmonic load is investigated by using nonlocal Euler-Bernoulli beam theory. The time-domain responses are obtained by using both the modal analysis method and the direct integration method. The effects of nonlocal parameter, aspect ratio, velocity and the excitation frequency of the moving load on the dynamic responses of SWCNT is discussed. For comparison purposes, free vibration frequencies and static deflections of the SWCNT subjected to a point load at the midpoint are obtained and compared with previously published studies. Good agreement is observed. The results show that dynamic deflections of the SWCNT increase with increase in the nonlocal parameter, which means that dynamic deflections based on the local beam theory are underestimated, and the effect of nonlocal parameter is dependent on the aspect ratio. Furthermore, load velocity and the excita
tion frequency play an important role on the dynamic behavior of the SWCNT. (C) 2010 Elsevier B.V. All rights reserved.

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

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

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

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Times Cited:
2

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

Subject Category:
Nanoscience & Nanotechnology; Physics, Condensed Matter

ISSN:
1386-9477

DOI:
10.1016/j.physe.2010.07.003

IDS Number:
697AS

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Title:
Emerging nanotechnology approaches in tissue engineering for peripheral nerve regeneration

Authors:
Cunha, C; Panseri, S; Antonini, S

Author Full Names:
Cunha, Carla; Panseri, Silvia; Antonini, Stefania

Source:
NANOMEDICINE-NANOTECHNOLOGY BIOLOGY AND MEDICINE 7 (1): 50-59 FEB 2011

Language:
English

Document Type:
Review

Author Keywords:
Nervous regeneration; Nanobiomaterials; Nanofibers; Neural stem cells; Drug delivery

KeyWords Plus:
ELECTROSPUN NANOFIBROUS SCAFFOLDS; BOMBYX-MORI SILK; EXTRACELLULAR-MATRIX; CARBON NANOTUBE; BIOMEDICAL APPLICATIONS; MECHANICAL-PROPERTIES; POLY(ETHYLENE OXIDE); CONTROLLED-RELEASE; AXONAL GROWTH; SPINAL-CORD

Abstract:
Effective nerve regeneration and functional recovery subsequent to peripheral nerve injury is still a clinical challenge. Autologous nerve graft transplantation is a feasible treatment in several clinical cases, but it is limited by donor site morbidity and insufficient donor tissue, impairing complete functional recovery. Tissue engineering has introduced innovative approaches to promote and guide peripheral nerve regeneration by using biomimetic conduits creating favorable microenvironments for nervous ingrowth, but despite the development of a plethora of nerve prostheses, few approaches have as yet entered the clinic. Promising strategies using nanotechnology have recently been proposed, such as the use of scaffolds with functionalized cell-binding domains, the use of guidance channels with cell-scale internally oriented fibers, and the possibility of sustained release of neurotrophic factors. This review addresses the fabrication, advantages, drawbacks, and results achie
ved by the most recent nanotechnology approaches in view of future solutions for peripheral nerve repair.
From the Clinical Editor: Peripheral nerve repair strategies are very limited despite numerous advances on the field of neurosciences and regenerative medicine. This review discusses nanotechnology based strategies including scaffolds with functionalized cell binding domains, the use of guidance channels, and the potential use of sustained release neurotropic factors. (C) 2011 Elsevier Inc. All rights reserved.

Reprint Address:
Panseri, S, Univ Bologna, Biomech Lab, Rizzoli Orthopaed Inst, Dept Human Anat & Physiopathol Locomotor Apparat, Via Barbiano 1-10, I-40136 Bologna, Italy.

Research Institution addresses:
[Cunha, Carla] Univ Milano Bicocca, Dept Biotechnol & Biosci, Milan, Italy; [Panseri, Silvia] Rizzoli Orthopaed Inst, Lab Biomech & Technol Innovat, Bologna, Italy; [Panseri, Silvia] Univ Bologna, Biomech Lab, Rizzoli Orthopaed Inst, Dept Human Anat & Physiopathol Locomotor Apparat, I-40136 Bologna, Italy; [Antonini, Stefania] Ist Sci San Raffaele, Div Regenerat Med, I-20132 Milan, Italy

E-mail Address:
panseri@biomec.ior.it

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87

Times Cited:
0

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

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

ISSN:
1549-9634

DOI:
10.1016/j.nano.2010.07.004

IDS Number:
709SJ

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

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Title:
Water clusters on Cu(110): Chain versus cyclic structures

Authors:
Kumagai, T; Okuyama, H; Hatta, S; Aruga, T; Hamada, I

Author Full Names:
Kumagai, T.; Okuyama, H.; Hatta, S.; Aruga, T.; Hamada, I.

Source:
JOURNAL OF CHEMICAL PHYSICS 134 (2): Art. No. 024703 JAN 14 2011

Language:
English

Document Type:
Article

KeyWords Plus:
SCANNING TUNNELING MICROSCOPE; METAL-SURFACES; ADSORPTION; PSEUDOPOTENTIALS; FLAT

Abstract:
Water clusters are assembled and imaged on Cu(110) by using a scanning tunneling microscope. Water molecules are arranged along the Cu row to form "ferroelectric" zigzag chains of trimer to hexamer. The trimer prefers the chain form to a cyclic one in spite of the reduced number of hydrogen bonds, highlighting the crucial role of the water-substrate interaction in the clustering of adsorbed water molecules. On the other hand, the cyclic form with maximal hydrogen bonds becomes more favorable for the tetramer, indicating the crossover from chain to cyclic configurations as the constituent number increases. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3525645]

Reprint Address:
Okuyama, H, Kyoto Univ, Grad Sch Sci, Dept Chem, Kyoto 6068502, Japan.

Research Institution addresses:
[Kumagai, T.; Okuyama, H.; Hatta, S.; Aruga, T.] Kyoto Univ, Grad Sch Sci, Dept Chem, Kyoto 6068502, Japan; [Hatta, S.; Aruga, T.] JST CREST, Kawaguchi, Saitama 3320012, Japan; [Hamada, I.] Tohoku Univ, WPI Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan

E-mail Address:
hokuyama@kuchem.kyoto-u.ac.jp

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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:
10.1063/1.3525645

IDS Number:
709WK

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

*Record 5 of 11.
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Title:
Multicomponent ballistic transport in narrow single wall carbon nanotubes: Analytic model and molecular dynamics simulations

Authors:
Mutat, T; Adler, J; Sheintuch, M

Author Full Names:
Mutat, T.; Adler, J.; Sheintuch, M.

Source:
JOURNAL OF CHEMICAL PHYSICS 134 (4): Art. No. 044908 JAN 28 2011

Language:
English

Document Type:
Article

KeyWords Plus:
DIFFUSION; ADSORPTION; MEMBRANES; ZEOLITES; FLUIDS

Abstract:
The transport of gas mixtures through molecular-sieve membranes such as narrow nanotubes has many potential applications, but there remain open questions and a paucity of quantitative predictions. Our model, based on extensive molecular dynamics simulations, proposes that ballistic motion, hindered by counter diffusion, is the dominant mechanism. Our simulations of transport of mixtures of molecules between control volumes at both ends of nanotubes give quantitative support to the model's predictions. The combination of simulation and model enable extrapolation to longer tubes and pore networks. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3532083]

Reprint Address:
Mutat, T, Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel.

Research Institution addresses:
[Mutat, T.; Adler, J.] Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel; [Sheintuch, M.] Technion Israel Inst Technol, Dept Chem Engn, IL-32000 Haifa, Israel

E-mail Address:
phr76ja@tx.technion.ac.il

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26

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:
10.1063/1.3532083

IDS Number:
715PY

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

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Title:
Hydrogen bond and halogen bond inside the carbon nanotube

Authors:
Wang, WZ; Wang, DL; Zhang, Y; Ji, BM; Tian, AM

Author Full Names:
Wang, Weizhou; Wang, Donglai; Zhang, Yu; Ji, Baoming; Tian, Anmin

Source:
JOURNAL OF CHEMICAL PHYSICS 134 (5): Art. No. 054317 FEB 7 2011

Language:
English

Document Type:
Article

KeyWords Plus:
DENSITY FUNCTIONALS; S(N)2 REACTION; LENGTH CHANGE; WATER CHAINS; CHEMISTRY; COMPLEXES; TRANSPORT; CHANNEL; CL

Abstract:
The hydrogen bond and halogen bond inside the open-ended single-walled carbon nanotubes have been investigated theoretically employing the newly developed density functional M06 with the suitable basis set and the natural bond orbital analysis. Comparing with the hydrogen or halogen bond in the gas phase, we find that the strength of the hydrogen or halogen bond inside the carbon nanotube will become weaker if there is a larger intramolecular electron-density transfer from the electronrich region of the hydrogen or halogen atom donor to the antibonding orbital of the X-H or X-Hal bond involved in the formation of the hydrogen or halogen bond and will become stronger if there is a larger intermolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom acceptor to the antibonding orbital of the X-H or X-Hal bond. According to the analysis of the molecular electrostatic potential of the carbon nanotube, the driving force for the electron-den
sity transfer is found to be the negative electric field formed in the carbon nanotube inner phase. Our results also show that the X-H bond involved in the formation of the hydrogen bond and the X-Hal bond involved in the formation of the halogen bond are all elongated when encapsulating the hydrogen bond and halogen bond within the carbon nanotube, so the carbon nanotube confinement may change the blue-shifting hydrogen bond and the blue-shifting halogen bond into the red-shifting hydrogen bond and the red-shifting halogen bond. The possibility to replace the all electron nanotube-confined calculation by the simple polarizable continuum model is also evaluated. (C) 2011 American Institute of Physics. [doi:10.1063/1.3549572]

Reprint Address:
Wang, WZ, Luoyang Normal Univ, Coll Chem & Chem Engn, Luoyang 471022, Peoples R China.

Research Institution addresses:
[Wang, Weizhou; Zhang, Yu; Ji, Baoming] Luoyang Normal Univ, Coll Chem & Chem Engn, Luoyang 471022, Peoples R China; [Wang, Donglai] Anshan Normal Univ, Dept Chem, Anshan 114005, Peoples R China; [Tian, Anmin] Sichuan Univ, Fac Chem, Chengdu 610014, Peoples R China

E-mail Address:
wzwanglab@yahoo.com

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42

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:
10.1063/1.3549572

IDS Number:
718BT

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

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Title:
Structural studies of water in hydrophilic and hydrophobic mesoporous silicas: An x-ray and neutron diffraction study at 297 K

Authors:
Jelassi, J; Grosz, T; Bako, I; Bellissent-Funel, MC; Dore, JC; Castricum, HL; Sridi-Dorbez, R

Author Full Names:
Jelassi, J.; Grosz, T.; Bako, I.; Bellissent-Funel, M. -C.; Dore, J. C.; Castricum, H. L.; Sridi-Dorbez, R.

Source:
JOURNAL OF CHEMICAL PHYSICS 134 (6): Art. No. 064509 FEB 14 2011

Language:
English

Document Type:
Article

KeyWords Plus:
SUPERCOOLED CONFINED WATER; LIQUID WATER; VYCOR GLASS; CYLINDRICAL PORES; CARBON NANOTUBES; POROUS-GLASS; SCATTERING; DYNAMICS; MOLECULES; MCM-41

Abstract:
Water confined in a sol-gel network has been characterized by x-ray and neutron diffraction for two samples of mesoporous silica: one with a hydrophilic character (a nonmodified one) and another with a hydrophobic character (a modified one with a methylated internal pore surface). The pore size has been previously characterized [J. Jelassi et al., Phys. Chem. Chem. Phys. 134, 1039 (2010)] to have a mean pore diameter of approximately 55 angstrom. The diffraction measurements presented in this paper have been made at room temperature [293 K] for a filling factor of 0.45, giving a mean thickness of 8-9 angstrom for the water layer. The results show that the local order of the confined water molecules in the intermediate region of 3-6 angstrom is significantly different from that of the bulk water and also for the two different environments. For the hydrophilic sample, the siloxyl groups at the surface modify the water structure through the effects of interfacial hydrogen-bondin
g, which influences the orientational configuration of local water molecules and creates a modified spatial arrangement in the pore. In the case of the hydrophobic sample, there is no specific interaction with the pore wall, which is primarily van der Waals type, and the water molecules at the interface are differently oriented to create a hydrogen-bonded network linked more directly to the rest of the water volume. In the present circumstances, the thickness of the water layer has a relatively small dimension so that the interpretation of the measured diffraction pattern is not as straightforward as for the bulk liquids, and it is necessary to consider the effects of diffraction-broadening from a distributed sample volume and also the contribution from cross-terms that remain after conducting a "wet-minus-dry" analysis procedure. These analytic difficulties are discussed in the context of the present measurements and compared with the work of other groups engaged in the stu
dy of water confined in different environments. The present !
results,
again, emphasize the complexity influencing the properties of water in a confined geometry and the strong influence of surface interactions on its behavior. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3530584]

Reprint Address:
Bellissent-Funel, MC, CEA Saclay, Lab Leon Brillouin, CEA, CNRS, F-91191 Gif Sur Yvette, France.

Research Institution addresses:
[Jelassi, J.; Bellissent-Funel, M. -C.] CEA Saclay, Lab Leon Brillouin, CEA, CNRS, F-91191 Gif Sur Yvette, France; [Jelassi, J.; Sridi-Dorbez, R.] Univ Monastir, Dept Phys, Tunis, Tunisia; [Grosz, T.; Bako, I.] Hungarian Acad Sci, Chem Res Ctr, H-1051 Budapest, Hungary; [Dore, J. C.] Univ Kent, Sch Phys Sci, Canterbury CT2 7NH, Kent, England; [Castricum, H. L.] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1012 WX Amsterdam, Netherlands

E-mail Address:
marie-claire.bellissent-funel@cea.fr

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Cited Reference Count:
52

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:
10.1063/1.3530584

IDS Number:
721BW

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

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Title:
Syntheses, structures and properties of two unusual silver-organic coordination networks: 1D -> 1D tubular intertwinement and existence of an infinite winding water chain

Authors:
Li, B; Zang, SQ; Ji, C; Du, CX; Hou, HW; Mak, TCW

Author Full Names:
Li, Bo; Zang, Shuang-Quan; Ji, Can; Du, Chen-Xia; Hou, Hong-Wei; Mak, Thomas C. W.

Source:
DALTON TRANSACTIONS 40 (4): 788-792 2011

Language:
English

Document Type:
Article

KeyWords Plus:
CRYSTAL-STRUCTURES; MOLECULAR LADDERS; HYDROTHERMAL SYNTHESIS; 3-DIMENSIONAL NETWORK; BLUE FLUORESCENCE; METAL; POLYMERS; FRAMEWORKS; ARCHITECTURES; LIGANDS

Abstract:
Two unusual metal-organic frameworks {[Ag-2(Hbtc)(bpy)(2)]center dot(H2O)(2)}(n) (1), {[Ag-3(btc)(bpy)(3)(H2O)]center dot(H2O)(7)}(n) (2) (H(3)btc = 1,2,3-benzenetricarboxylic acid, bpy = 4,4'-bipyridine) have been synthesized and characterized by single crystal X-ray diffraction. Complex 1 features an infinite 1D -> 1D tubular intertwinement network, while complex 2 exhibits a double ladder structure which contains rare winding water chains. Both infinite 1D -> 1D tubular chains in complex 1 and double ladder in 2 are mutually interconnected by hydrogen bonding and pi ... pi stacking interactions into three-dimensional (3D) supramolecular networks. In addition, thermogravimetric analysis, powder X-ray diffraction (XRD), and photoluminescent behavior of the complexes have also been investigated.

Reprint Address:
Zang, SQ, Zhengzhou Univ, Dept Chem, Zhengzhou 450001, Peoples R China.

Research Institution addresses:
[Li, Bo; Zang, Shuang-Quan; Ji, Can; Du, Chen-Xia; Hou, Hong-Wei; Mak, Thomas C. W.] Zhengzhou Univ, Dept Chem, Zhengzhou 450001, Peoples R China; [Mak, Thomas C. W.] Chinese Univ Hong Kong, Dept Chem, Shatin, Hong Kong, Peoples R China

E-mail Address:
zangsqzg@zzu.edu.cn

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Times Cited:
0

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

Subject Category:
Chemistry, Inorganic & Nuclear

ISSN:
1477-9226

DOI:
10.1039/c0dt00949k

IDS Number:
705EI

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

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Title:
Emerging Applications of Carbon Nanotubes

Authors:
Schnorr, JM; Swager, TM

Author Full Names:
Schnorr, Jan M.; Swager, Timothy M.

Source:
CHEMISTRY OF MATERIALS 23 (3): 646-657 FEB 8 2011

Language:
English

Document Type:
Review

KeyWords Plus:
MEMBRANE FUEL-CELLS; FIELD-EFFECT TRANSISTORS; DOUBLE-LAYER CAPACITORS; LITHIUM-ION BATTERY; MODIFIED ELECTRODES; HIGH-PERFORMANCE; ELECTROCHEMICAL CHARACTERIZATION; SELECTIVE HYDROGENATION; COMPOSITE ELECTRODES; MOLECULAR SWITCH

Abstract:
On the basis of their unique electrical and mechanical properties, carbon nanotubes (CNTs) have attracted great attention in recent years. A diverse array of methods has been developed to modify CNTs and to assemble them into devices. On the basis of these innovations, many applications that include the use of CNTs have been demonstrated. Transparent electrodes for organic light-emitting diodes (OLEDs), lithium-ion batteries, supercapacitors, and CNT-based electronic components such as field-effect transistors (FETs) have been demonstrated. Furthermore, CNTs have been employed in catalysis and sensing as well as filters and mechanical and biomedical applications. This review highlights illustrative examples from these areas to give an overview of applications of CNTs.

Reprint Address:
Swager, TM, MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA.

Research Institution addresses:
[Swager, Timothy M.] MIT, Dept Chem, Cambridge, MA 02139 USA; MIT, Inst Soldier Nanotechnol, Cambridge, MA 02139 USA

E-mail Address:
tswager@mit.edu

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Cited Reference Count:
164

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/cm102406h

IDS Number:
712UG

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

*Record 10 of 11.
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Title:
Variational Principle of Carbon Nanotubes with Temperature Changes

Authors:
Fan, T

Author Full Names:
Fan, Tao

Source:
FOURTH INTERNATIONAL CONFERENCE ON EXPERIMENTAL MECHANICS 7522: Art. No. 752236 2010

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
carbon nanotubes; temperature changes; variational principle; stationary value conditions; vibration characteristics; Galerkin method

Abstract:
In this paper, the CNS are considered as the Euler-Bernoulli beams which have been used in many references about the CNS. Taken the thermal-mechanical coupling into account, the variational principle for the CNS is presented by the variational integral method. With the derivation of the varitional principle, the stationary value conditions are obtained. At last, the vibration governing equation is illustrated, which will be benefit for the numerical simulation with finite element method in further investigations. From the stationary value conditions deduced by the variational principle, it can be observed that the vibration characteristics of the CNS can be influenced by the temperature changes. It is expected to be useful for the design and application of the nano scale devices.

Reprint Address:
Fan, T, Harbin Engn Univ, Coll Aerosp & Civil Engn, Harbin 150001, Peoples R China.

Research Institution addresses:
Harbin Engn Univ, Coll Aerosp & Civil Engn, Harbin 150001, Peoples R China

E-mail Address:
fantaoheu@gmail.com

Cited References:
HUMMER G, 2001, NATURE, V414, P188.
LU P, 2006, J APPL PHYS, V99, ARTN 073510.
LZHANG YQ, 2004, PHYS REV B, V70, UNSP 205430.
SHEN HS, 2006, PHYS REV B, V74, ARTN 035410.
WANG Q, 2005, J APPL PHYS, V98, ARTN 124301.
ZHANG YQ, 2008, PHYS LETT A, V372, P1676, DOI 10.1016/j.physleta.2007.10.033.

Cited Reference Count:
6

Times Cited:
0

Publisher:
SPIE-INT SOC OPTICAL ENGINEERING; 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA

Subject Category:
Optics

ISSN:
0277-786X

DOI:
10.1117/12.851464

IDS Number:
BSR97

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

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Title:
Variational Principle of Carbon Nanotubes with Temperature Changes Based on Nonlocal Euler-Bernoulli Beam Model

Authors:
Fan, T

Author Full Names:
Fan, Tao

Source:
ADVANCES IN FRACTURE AND DAMAGE MECHANICS IX 452-453: 785-788 2011

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
carbon nanotubes; temperature changes; variational principle; nonlocal Euler-Bernoulli Beam Model; critical buckling load

Abstract:
In this paper, the CNTS are considered as the Euler-Bernoulli beams which have been used in many references about the CNTS. Taken the thermal-mechanical coupling and small scale effect into account, the variational principle for the CNTS is presented by the variational integral method. With the derivation of the varitional principle, the vibration governing equation is illustrated, which will be benefit for the numerical simulation with finite element method in further investigations. From the stationary value conditions deduced by the variational principle, the influences of the temperature changes and the thermal expansion coefficients based on nonlocal Euler-Bernoulli beam model are presented.

Reprint Address:
Fan, T, Harbin Engn Univ, Coll Aerosp & Civil Engn, Harbin 150001, Peoples R China.

Research Institution addresses:
Harbin Engn Univ, Coll Aerosp & Civil Engn, Harbin 150001, Peoples R China

E-mail Address:
fantao19812005@yahoo.com.cn

Cited References:
HUMMER G, 2001, NATURE, V414, P188.
LU P, 2006, J APPL PHYS, V99, ARTN 073510.
SHEN HS, 2006, PHYS REV B, V74, ARTN 035410.
WANG Q, 2005, J APPL PHYS, V98, ARTN 124301.
ZHANG YQ, 2004, PHYS REV B, V70, ARTN 205430.
ZHANG YQ, 2008, PHYS LETT A, V372, P1676, DOI 10.1016/j.physleta.2007.10.033.

Cited Reference Count:
6

Times Cited:
0

Publisher:
TRANS TECH PUBLICATIONS LTD; LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND

ISSN:
1013-9826

DOI:
10.4028/www.scientific.net/KEM.452-453.785

IDS Number:
BTN77

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Friday, March 4, 2011

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 22 AUG 2011
Number of Citing Articles: 5 new records this week (5 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Water in the Polar and Nonpolar Cavities of the Protein Interleukin-1 beta

Authors:
Yin, H; Feng, GG; Clore, GM; Hummer, G; Rasaiah, JC

Author Full Names:
Yin, Hao; Feng, Guogang; Clore, G. Marius; Hummer, Gerhard; Rasaiah, Jayendran C.

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (49): 16290-16297 DEC 16 2010

Language:
English

Document Type:
Article

KeyWords Plus:
HIGH-PRESSURE CRYSTALLOGRAPHY; MOLECULAR-DYNAMICS; BOUND WATER; 3-DIMENSIONAL STRUCTURE; HYDROPHOBIC CAVITY; CRYSTAL-STRUCTURE; DISORDERED WATER; NMR-SPECTROSCOPY; AQUEOUS-SOLUTION; FREE-ENERGIES

Abstract:
Water in the protein interior serves important structural and functional roles and is also increasingly recognized as a relevant factor in drug binding. The nonpolar cavity in the protein interleulcin-l beta has been reported to be filled by water on the basis of some experiments and simulations and to be empty on the basis of others. Here we study the thermodynamics of filling the central nonpolar cavity and the four polar cavities of interleukin-1 beta by molecular dynamics simulation. We use different water models (TIP3P and SPC/E) and protein force fields (amber94 and amber03) to calculate the semigrand partition functions term by term that quantify the hydration equilibria. We consistently find that water in the central nonpolar cavity is thermodynamically unstable, independent of force field and water model. The apparent reason is the relatively small size of the cavity, with a volume less than 80 similar to angstrom(3). Our results are consistent with the most recent X
-ray crystallographic and simulation studies but disagree with an earlier interpretation of nuclear magnetic resonance (NMR) experiments probing protein water interactions. We show that, at least semiquantitatively, the measured nuclear Overhauser effects indicating the proximity of water to the methyl groups lining the nonpolar cavity can, in all likelihood, be attributed to interactions with buried and surface water molecules near the cavity. The same methods applied to determine the occupancy of the polar cavities show that they are filled by the same number of water molecules observed in crystallography, thereby validating the theoretical and simulation methods used to study the water occupancy in the nonpolar protein cavity.

Reprint Address:
Hummer, G, NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA.

Research Institution addresses:
[Clore, G. Marius; Hummer, Gerhard] NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA; [Yin, Hao; Feng, Guogang; Rasaiah, Jayendran C.] Univ Maine, Dept Chem, Orono, ME 04469 USA

E-mail Address:
Gerhard.Hummer@nih.gov; rasaiah@maine.edu

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48

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/jp108731r

IDS Number:
690GO

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

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Title:
Molecular Dynamics Study of the Structures and Dynamics of the Iodine Molecules Confined in AlPO4-11 Crystals

Authors:
Hu, JM; Zhai, JP; Wu, FM; Tang, ZK

Author Full Names:
Hu, J. M.; Zhai, J. P.; Wu, F. M.; Tang, Z. K.

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (49): 16481-16486 DEC 16 2010

Language:
English

Document Type:
Article

KeyWords Plus:
ABSOLUTE FREQUENCY-MEASUREMENT; WALLED CARBON NANOTUBES; ABSORPTION-SPECTRUM; FORCE-FIELD; MECHANICS; SIMULATIONS; ATOMS; LASER; WATER; NM

Abstract:
Structural and dynamical properties of iodine molecules incorporated in one-dimensional elliptic channels of AlPO4-11 (AEL) crystals were studied by means of molecular dynamics (MD) simulations. It was found that the iodine molecules in the AEL channels are restricted in the (101) planes with only two favorite orientations: lying along the channels and standing along the major axes of the ellipses, which are well consistent with the experimental observations. In addition, the iodine structures are largely dependent on the loading level: with the increase of loading, the iodine specimens change their structures accordingly from isolated molecules as in the gas phase to single molecular chains and molecular ribbon sheets. The molecular ribbon sheets are composed of equally distributed and parallel molecules as in the iodine crystals. The simulation results show that the standing iodine molecules in the AEL channels are well restricted due to both the appropriate size of ellipse
s and their alternation throughout the channels. They can diffuse along the channels only after overcoming the rotational barriers to become lying molecules, which indicate that the iodine molecules in the ribbon sheets can keep the configurations without rotational and translational motion. The confined iodine molecules with such structures and properties may be used to improve the accuracy of the frequency standards.

Reprint Address:
Tang, ZK, Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China.

Research Institution addresses:
[Hu, J. M.; Tang, Z. K.] Hong Kong Univ Sci & Technol, Dept Phys, Kowloon, Hong Kong, Peoples R China; [Hu, J. M.; Tang, Z. K.] Hong Kong Univ Sci & Technol, Inst Nano Sci & Technol, Kowloon, Hong Kong, Peoples R China; [Zhai, J. P.] Shenzhen Univ, Coll Elect Sci & Technol, Shenzhen 518060, Peoples R China; [Wu, F. M.] Zhejiang Normal Univ, Inst Condensed Matter Phys, Jinhua 321004, Zhejiang, Peoples R China

E-mail Address:
phzktang@ust.hk

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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/jp1076615

IDS Number:
690GO

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

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Title:
Kinetics and Solvent-Dependent Thermodynamics of Water Capture by a Fullerene-Based Hydrophobic Nanocavity

Authors:
Frunzi, M; Baldwin, AM; Shibata, N; Iwamatsu, SI; Lawler, RG; Turro, NJ

Author Full Names:
Frunzi, Michael; Baldwin, Anne M.; Shibata, Nobuyuki; Iwamatsu, Sho-Ichi; Lawler, Ronald G.; Turro, Nicholas J.

Source:
JOURNAL OF PHYSICAL CHEMISTRY A 115 (5): 735-740 FEB 10 2011

Language:
English

Document Type:
Article

KeyWords Plus:
OPEN-CAGE FULLERENE; CARBON NANOTUBES; MOLECULES; ENCAPSULATION; NMR; COMPLEXES; CHEMISTRY; PROTEINS; CLUSTERS; CAVITIES

Abstract:
Kinetic and thermodynamic properties of water encapsulation from organic solution by an open-cage [60]fullerene derivative have been investigated. 2D exchange NMR spectroscopy (EXSY) measurements were employed to determine the association and dissociation constants at 300 330 K (k(a) = 4.3 M-1 x s(-1) and k(d) = 0.42 s(-1) at 300 K) in 1,1,2,2-tetrachloroethane-d(2) as well as the activation energies (E-a,E-ass = 27 kJ mol(-1) E-a,E-diss 50 kJ mol(-1)). The equilibrium constants and thermodynamic parameters in various solvents (benzene-d(6), 1,2-dichlorobenzene-d(4), and dimethylsulfwdde-d(6)) were estimated using 1D-H-1 NMR spectroscopy. The parameters were dependent on the polarity of the solvent; Delta H depended linearly on the solvent polarity, becoming increasingly unfavorable as polarity increased. Mixtures of polar dimethylsulfoxide-do in less polar 1,1,2,2-tetrachloroethane-d(2) showed a similar trend.

Reprint Address:
Turro, NJ, Columbia Univ, Dept Chem, New York, NY 10027 USA.

Research Institution addresses:
[Frunzi, Michael; Baldwin, Anne M.; Turro, Nicholas J.] Columbia Univ, Dept Chem, New York, NY 10027 USA; [Shibata, Nobuyuki; Iwamatsu, Sho-Ichi] Nagoya Univ, Grad Sch Environm Studies, Chikusa Ku, Nagoya, Aichi 4648601, Japan; [Lawler, Ronald G.] Brown Univ, Dept Chem, Providence, RI 02912 USA

E-mail Address:
njt3@columbia.edu

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Cited Reference Count:
40

Times Cited:
0

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

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

ISSN:
1089-5639

DOI:
10.1021/jp110832m

IDS Number:
714HH

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

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Title:
The coupled vibration of fluid-filled multiwalled carbon nanotubes with intertube deformation

Authors:
Wang, XY; Chen, W

Author Full Names:
Wang, X. Y.; Chen, W.

Source:
JOURNAL OF APPLIED PHYSICS 108 (11): Art. No. 114307 DEC 1 2010

Language:
English

Document Type:
Article

KeyWords Plus:
WAVE-PROPAGATION ANALYSIS; CONVEYING FLUID; ELASTIC MEDIUM; INSTABILITY; MODULUS; MODEL; WATER; FLOW

Abstract:
Carbon nanotubes hold substantial and exciting promise as nanocontainers filled with fluid or nanopipes conveying fluid in their hollow cavity in nanotechnology. This paper studies the coupled vibration of embedded fluid-filled multiwalled carbon nanotubes (MWNTs) subject to axial load using the multiple-Euler beam model and considering the distinctive intertube deformation of carbon MWNTs. Through the numerical examples, the effective scope of the single-beam model is examined, and the effect of the internal fluid on the coupled vibration for various geometric dimensions, mass densities of the fluid, Winkler constants, axial loads, and mode numbers, is investigated. It is found that the influence of fluid coupling effect on the natural vibrating frequencies of fluid-filled MWNTs increases as the density of the fluid increases, or as the diameter of the innermost tube increases, or as the mode number studied decreases, and, the higher mode number n or density of the fluid rho
(f) is, the more intense the vibration of inner tubes are than that of outer tubes, and the more the vibration tends towards noncoaxial. (c) 2010 American Institute of Physics. [doi:10.1063/1.3480987]

Reprint Address:
Wang, XY, Hohai Univ, Coll Mech & Mat, Dept Engn Mech, Nanjing 210098, Jiangsu Prov, Peoples R China.

Research Institution addresses:
[Wang, X. Y.; Chen, W.] Hohai Univ, Coll Mech & Mat, Dept Engn Mech, Nanjing 210098, Jiangsu Prov, Peoples R China

E-mail Address:
xywang223@sina.com

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Cited Reference Count:
55

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, Applied

ISSN:
0021-8979

DOI:
10.1063/1.3480987

IDS Number:
696XG

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

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Title:
Effect of Surface Morphology on the Ordered Water Layer at Room Temperature

Authors:
Wang, CL; Zhou, B; Xiu, P; Fang, HP

Author Full Names:
Wang, Chunlei; Zhou, Bo; Xiu, Peng; Fang, Haiping

Source:
JOURNAL OF PHYSICAL CHEMISTRY C 115 (7): 3018-3024 FEB 24 2011

Language:
English

Document Type:
Article

KeyWords Plus:
HYDROPHOBIC NANOPORES; PROTEIN SURFACES; CONTACT-ANGLE; DYNAMICS; NANOTUBES; HYDRATION; DEFECTS; INTERFACES; POLARITY; CHANNEL

Abstract:
The behavior of water, particularly the first water layer residing on solid surfaces with various unit cell sizes and charge defects, is studied by molecular dynamics simulations at room temperature. We found that both the unit cell size and presence of defects greatly affected the configurations of the first water layer, specifically the structure and stability of the two-dimensional hydrogen.-bond network within this layer. Consequently, the wetting behavior of water on the solid surface is significantly influenced. On certain wetted solid surfaces with water droplets distributed over the first water layer, the presence of defects at low ratios leads to partial disruption of the structure of the two-dimensional hydrogen-bond network within the first water layer and the existence of the irregular droplet profiles different from the conventional circular shapes. Due to the adsorption of the surface, the dwell time of the first water layer is extremely large and is about 1 ord
er of magnitude larger than the rest of the water layers.

Reprint Address:
Fang, HP, Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China.

Research Institution addresses:
[Wang, Chunlei; Zhou, Bo; Fang, Haiping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; [Wang, Chunlei; Zhou, Bo] Chinese Acad Sci, Grad Sch, Beijing 100080, Peoples R China; [Xiu, Peng] Zhejiang Univ, Dept Phys, Bio X Lab, Hangzhou 310027, Peoples R China; [Fang, Haiping] Chinese Acad Sci, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China

E-mail Address:
fanghaiping@sinap.ac.cn

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Cited Reference Count:
60

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/jp108595d

IDS Number:
721FD

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Saturday, February 26, 2011

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 22 AUG 2011
Number of Citing Articles: 6 new records this week (6 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Ferroelectric mobile water

Authors:
Nakamura, Y; Ohno, T

Author Full Names:
Nakamura, Yoshimichi; Ohno, Takahisa

Source:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 (3): 1064-1069 2011

Language:
English

Document Type:
Article

KeyWords Plus:
PHASE-TRANSITION; CARBON NANOTUBES; ICE NANOTUBES; HEXAGONAL ICE; EWALD SUMS; IH

Abstract:
In molecular dynamics simulations single-domain ferroelectric water is produced under ordinary ambient conditions utilizing carbon nanotubes open to a water reservoir. This ferroelectric water diffuses while keeping its proton-ordered network intact. The mobile/immobile water transitions and the step-wise changes in net polarization of water are observed to occur spontaneously. The immobile water becomes mobile by transforming into the single-domain ferroelectric water. Our general notion of relating a more highly ordered structure with a lower temperature has so far restricted researchers' attention to very low temperatures when experimenting on proton-ordered phases of water. The present study improves our general understanding of water, considering that the term 'ferroelectric water' has so far practically stood for 'ferroelectric ice,' and that single-domain ferroelectric water has not been reported even for the ice nanotubes.

Reprint Address:
Nakamura, Y, Natl Inst Mat Sci, Computat Mat Sci Ctr, 1-2-1 Sengen, Tsukuba, Ibaraki 3050047, Japan.

Research Institution addresses:
[Nakamura, Yoshimichi; Ohno, Takahisa] Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050047, Japan; [Nakamura, Yoshimichi; Ohno, Takahisa] JST, CREST, Chiyoda Ku, Tokyo 1020075, Japan

E-mail Address:
NAKAMURA.Yoshimichi@nims.go.jp

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Cited Reference Count:
32

Times Cited:
0

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

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

ISSN:
1463-9076

DOI:
10.1039/c0cp01428a

IDS Number:
700NJ

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

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Title:
Prediction of the viscosity of water confined in carbon nanotubes

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

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

Source:
MICROFLUIDICS AND NANOFLUIDICS 10 (2): 403-414 FEB 2011

Language:
English

Document Type:
Article

Author Keywords:
Viscosity; Carbon nanotube; Confined water; Eyring theory; Molecular dynamics

KeyWords Plus:
ABSOLUTE REACTION-RATES; MOLECULAR-DYNAMICS; VISCOUS-FLOW; ICE NANOTUBES; TRANSPORT; DIFFUSION; LIQUID; NANOSCALE; MODEL; HYDRODYNAMICS

Abstract:
In this paper, the viscosity of water confined in single-walled carbon nanotubes (SWCNTs) with the diameter ranging from 8 to 54 is evaluated, which is crucial for the research on the nanoflow but difficult to be obtained. An "Eyring-MD" (molecular dynamics) method combining the Eyring theory of viscosity with the MD simulations is proposed to tackle the particular problems. For the critical energy which is a parameter in the "Eyring-MD" method, the numerical experiment is adopted to explore its dependence on the temperature and the potential energy. To demonstrate the feasibility of the proposed method, the viscosity of water at high pressure is computed and the results are in reasonable agreement with the experimental results. The computational results indicate that the viscosity of water inside SWCNTs increases nonlinearly with enlarging diameter of SWCNTs, which can reflect the size effect on the transports capability of the SWCNTs. The trend of the viscosity is well expl
ained by the variation of the hydrogen bond of the water inside SWCNTs. A fitting equation of the viscosity of the confined water is given, which should be significant for recognizing and studying the transport behavior of fluid through the nanochannels.

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

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

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

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Times Cited:
0

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

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

ISSN:
1613-4982

DOI:
10.1007/s10404-010-0678-0

IDS Number:
711TZ

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

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Title:
Potential of nanoparticles in sample preparation

Authors:
Lucena, R; Simonet, BM; Cardenas, S; Valcarcel, M

Author Full Names:
Lucena, R.; Simonet, B. M.; Cardenas, S.; Valcarcel, M.

Source:
JOURNAL OF CHROMATOGRAPHY A 1218 (4): 620-637 Sp. Iss. SI JAN 28 2011

Language:
English

Document Type:
Review

Author Keywords:
Sample treatment; Nanoparticles; Solid phase extraction; Liquid-liquid extraction

KeyWords Plus:
SOLID-PHASE EXTRACTION; MULTIWALLED CARBON NANOTUBES; ATOMIC-ABSORPTION-SPECTROMETRY; MOLECULARLY IMPRINTED POLYMER; ENVIRONMENTAL WATER SAMPLES; PERFORMANCE LIQUID-CHROMATOGRAPHY; MODIFIED TIO2 NANOPARTICLES; PLASMA-MASS SPECTROMETRY; SIZE TITANIUM-DIOXIDE; RARE-EARTH-ELEMENTS

Abstract:
The paper presents a general overview of the use of nanoparticles to perform sample preparation. In this way the main uses of nanoparticles to carry out solid phase extraction, solid phase microextraction, liquid-liquid extraction and filtration techniques are described for a wide range of nanoparticles including carbon nanoparticles, metallic, silica and molecular imprinted polymer nanoparticles. (C) 2010 Elsevier B.V. All rights reserved.

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

Research Institution addresses:
[Lucena, R.; Simonet, B. M.; Cardenas, S.; Valcarcel, M.] Univ Cordoba, Dept Analyt Chem, E-14071 Cordoba, Spain

E-mail Address:
qa1meobj@uco.es

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Cited Reference Count:
162

Times Cited:
0

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

Subject Category:
Biochemical Research Methods; Chemistry, Analytical

ISSN:
0021-9673

DOI:
10.1016/j.chroma.2010.10.069

IDS Number:
712XZ

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

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Title:
DYNAMICAL BEHAVIORS OF FLUID-FILLED MULTI-WALLED CARBON NANOTUBES

Authors:
Yan, Y; Wang, WQ; Zhang, LX

Author Full Names:
Yan, Y.; Wang, W. Q.; Zhang, L. X.

Source:
INTERNATIONAL JOURNAL OF MODERN PHYSICS B 24 (24): 4727-4739 SEP 30 2010

Language:
English

Document Type:
Article

Author Keywords:
Fluid-filled multi-walled carbon nanotubes; natural resonant frequency; intertube resonant frequency; amplitude ratio; noncoaxial vibration

KeyWords Plus:
CYLINDRICAL-SHELLS; VIBRATION; FLOW; INSTABILITY; PREDICTION

Abstract:
This paper is concerned with the free vibration of the fluid-filled multi-walled carbon nanotubes (MWCNTs) with simply supported ends. Based on Donnell's cylindrical shell model and potential flow theory, the effects of internal fluid and the different radii on the coupling vibration of the MWCNT-fluid system are discussed in detail. The results show that the fluid has only a little influence on the natural resonant frequency (frequency of the innermost tube) and the associated amplitude ratio in MWCNTs, while it plays a significant role in the intertube resonant frequency and the associated amplitude ratio. For the natural resonant frequency, the vibrational mode is almost coaxial, i.e., the MWCNTs vibrate like a single-layer shell, however, for the intertube resonant frequency, the system shows complex noncoaxial vibration, which plays a critical role in electronic and transport properties of carbon nanotubes (CNTs). Simultaneously, the effect of the innermost radius on the
frequencies of MWCNTs is also examined and the conclusions accord well with those of another paper.

Reprint Address:
Yan, Y, Kunming Univ Sci & Technol, Dept Engn Mech, Kunming 650051, Yunnan, Peoples R China.

Research Institution addresses:
[Yan, Y.; Wang, W. Q.; Zhang, L. X.] Kunming Univ Sci & Technol, Dept Engn Mech, Kunming 650051, Yunnan, Peoples R China

E-mail Address:
wwqquan@126.com

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Cited Reference Count:
36

Times Cited:
0

Publisher:
WORLD SCIENTIFIC PUBL CO PTE LTD; 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE

Subject Category:
Physics, Applied; Physics, Condensed Matter; Physics, Mathematical

ISSN:
0217-9792

DOI:
10.1142/S0217979210054701

IDS Number:
705NW

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

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Title:
A theoretical study on the catalytic effect of nanoparticle confined in carbon nanotube

Authors:
Qin, W; Li, X

Author Full Names:
Qin, Wu; Li, Xin

Source:
CHEMICAL PHYSICS LETTERS 502 (1-3): 96-100 JAN 18 2011

Language:
English

Document Type:
Article

KeyWords Plus:
TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; OZONE DECOMPOSITION; WATER; IRON; PARTICLES; OZONATION; DYNAMICS; SYSTEMS; METALS

Abstract:
We investigated the catalytic effect of CuO nanoparticles confined in carbon nanotubes using molecular dynamics simulations and density functional theory calculations. Ozone decomposition and hydroxyl radical generation were used as the probe reactions to investigate the catalytic behavior of catalyst. The effects of the confined environment of carbon nanotubes induced more reactants into the channel. Interface interactions between reactants and CuO nanoparticles in the channel and charge transfer accelerated the decomposition of ozone into oxygen molecule and atomic oxygen species. The atomic oxygen species then interacted to water molecule to generate hydroxyl radicals, which were truly identified by electron paramagnetic resonance (EPR) technique. (C) 2010 Elsevier B.V. All rights reserved.

Reprint Address:
Li, X, Harbin Inst Technol, Dept Chem, Harbin 150090, Peoples R China.

Research Institution addresses:
[Qin, Wu; Li, Xin] Harbin Inst Technol, Dept Chem, Harbin 150090, Peoples R China

E-mail Address:
lixin@hit.edu.cn

Cited References:
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Cited Reference Count:
42

Times Cited:
0

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

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

ISSN:
0009-2614

DOI:
10.1016/j.cplett.2010.12.030

IDS Number:
703PY

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

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Title:
Dynamic behavior of double-walled carbon nanotubes conveying viscous fluid based on nonlocal elastic theory

Authors:
Zhen, YX; Fang, B; Wang, LG

Author Full Names:
Zhen, Yaxin; Fang, Bo; Wang, Liguo

Source:
NANOSENSORS, BIOSENSORS, AND INFO-TECH SENSORS AND SYSTEMS 2010 7646: Art. No. 76461R 2010

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
carbon nanotubes; viscous fluid; nonlocal effect; critical flow velocity; instability

KeyWords Plus:
INSTABILITY; VIBRATION; SCALE; FLOW

Abstract:
In this paper, the dynamic behavior of a fixed-fixed double-walled carbon nanotube (DWCNT) conveying fluid is studied based on Euler-Bernoulli beam theory. The viscosity of the fluid and the nonlocal effect are incorporated in the formulation, and the Galerkin discretization method is used to solve the coupled equations of motions. The critical flow velocity of the fluid is obtained. Numerical simulations show that the van der Waals (vdW) interactions and the internal moving fluid play significant roles in the natural frequencies and the instability of DWCNTs. Also, the influences of the viscosity, nonlocal effect, aspect ratio and the surrounding elastic medium on the dynamic behavior of the double-walled carbon nanotube is studied in detail. It is found that a higher viscous-fluid-conveying DWCNT embedded in a stiff matrix with a larger aspect ratio make the induced instability vibration occur until a higher flow velocity.

Reprint Address:
Zhen, YX, Harbin Inst Technol, Sch Astronaut, Harbin 150001, Peoples R China.

Research Institution addresses:
[Zhen, Yaxin; Fang, Bo] Harbin Inst Technol, Sch Astronaut, Harbin 150001, Peoples R China

E-mail Address:
bfang@hit.edu.cn

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Cited Reference Count:
24

Times Cited:
0

Publisher:
SPIE-INT SOC OPTICAL ENGINEERING; 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA

Subject Category:
Optics

ISSN:
0277-786X

DOI:
10.1117/12.847488

IDS Number:
BSQ85

========================================================================
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Friday, February 18, 2011

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 22 AUG 2011
Number of Citing Articles: 4 new records this week (4 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Dry amyloid fibril assembly in a yeast prion peptide is mediated by long-lived structures containing water wires

Authors:
Reddy, G; Straub, JE; Thirumalai, D

Author Full Names:
Reddy, Govardhan; Straub, John E.; Thirumalai, D.

Source:
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 107 (50): 21459-21464 DEC 14 2010

Language:
English

Document Type:
Article

Author Keywords:
amyloid fibrils; dewetting transition; electrostatic interactions; prion diseases

KeyWords Plus:
CROSS-BETA-SPINE; HYDROPHOBIC HYDRATION; PROTEIN AGGREGATION; NANOTUBES; DYNAMICS; KINETICS; COLLAPSE; MODELS; FORCES

Abstract:
Amyloid-like fibrils from a number of small peptides that are unrelated by sequence adopt a cross-beta-spine in which the two sheets fully interdigitate to create a dry interface. Formation of such a dry interface is usually associated with self-assembly of extended hydrophobic surfaces. Here we investigate how a dry interface is created in the process of protofilament formation in vastly different sequences using two amyloidogenic peptides, one a polar sequence from the N terminus of the yeast prion Sup35 and the other a predominantly hydrophobic sequence from the C terminus of A beta-peptide. Using molecular dynamics simulations with three force fields we show that spontaneous formation of two ordered one-dimensional water wires in the pore between the two sheets of the Sup35 protofilaments results in long-lived structures, which are stabilized by a network of hydrogen bonds between the water molecules in the wires and the polar side chains in the beta-sheet. Upon decreasin
g the stability of the metastable structures, water molecules are expelled resulting in a helically twisted protofilament in which side chains from a pair of beta-strands in each sheet pack perfectly resulting in a dry interface. Although drying in hydrophobically dominated interfaces is abrupt, resembling a liquid to vapor transition, we find that discrete transitions between the liquid to one-dimensional ordered water in the nanopore enclosed by the two beta-sheets to dry interface formation characterizes protofilament assembly in the yeast prions. Indeed, as the two sheets of the hydrophobic A beta-sequence approach each other, fibril formation and expulsion of water molecules occur rapidly and nearly simultaneously.

Reprint Address:
Thirumalai, D, Univ Maryland, Biophys Program, Inst Phys Sci & Technol, College Pk, MD 20742 USA.

Research Institution addresses:
[Reddy, Govardhan; Thirumalai, D.] Univ Maryland, Biophys Program, Inst Phys Sci & Technol, College Pk, MD 20742 USA; [Thirumalai, D.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA; [Straub, John E.] Boston Univ, Dept Chem, Boston, MA 02215 USA

E-mail Address:
thirum@umd.edu

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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.1008616107

IDS Number:
697NY

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

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Title:
Self-assembly of carbon nanotubes and boron nitride nanotubes into coaxial structures

Authors:
Kuang, YD; Shi, SQ; Chan, PKL; Chen, CY

Author Full Names:
Kuang, Y. D.; Shi, S. Q.; Chan, P. K. L.; Chen, C. Y.

Source:
COMPUTATIONAL MATERIALS SCIENCE 50 (2): 645-650 DEC 2010

Language:
English

Document Type:
Article

Author Keywords:
Carbon nanotubes and boron nitride nanotubes; Self-assembly; Molecular dynamics simulations; Polarization; Nanodevices

KeyWords Plus:
MOLECULAR-DYNAMICS; ELASTIC-MODULUS; WATER; DEFORMATION; SIMULATIONS; BEHAVIOR; SYSTEMS; LAYERS

Abstract:
Coaxial carbon nanotube/boron nitride nanotube (CNT/BNNT) multi-walled structures are ideal components in nanoelectronic systems. Our molecular dynamics simulations show that separate CNTs and BNNTs can self-assemble into stable coaxial structures in water under appropriate conditions. In case study three types of representative coaxial structures: (5, 5) CNT/(10, 10) BNNT, (5,5) BNNT/(10, 10) CNT and (5, 5) BNNT/(10, 10) BNNT are obtained. Simulation results also reveal that the self-assembly time between two separate BNNTs is increased remarkably due to the polarization of BNNTs in water. The mechanism of self-assembly among these tubes is demonstrated in detail. Further, coaxial (10, 10) BNNT/(10, 10) CNT/(15, 15) BNNT nanoheterojunctions are achieved for potential application in nanoelectronic systems. The present work shows the feasibility to fabricate the coaxial nanodevices such as insulating high-strength cables, high frequency oscillators and nanojunctions using self
-assembly approach. (C) 2010 Elsevier B.V. All rights reserved.

Reprint Address:
Shi, SQ, Hong Kong Polytech Univ, Dept Mech Engn, Kowloon, Hong Kong, Peoples R China.

Research Institution addresses:
[Kuang, Y. D.; Shi, S. Q.; Chan, P. K. L.] Hong Kong Polytech Univ, Dept Mech Engn, Kowloon, Hong Kong, Peoples R China; [Kuang, Y. D.; Chen, C. Y.] Huazhong Univ Sci & Technol, Sch Civil Engn & Mech, Wuhan 430074, Hubei, Peoples R China

E-mail Address:
mmsqshi@polyu.edu.hk

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Cited Reference Count:
30

Times Cited:
0

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

Subject Category:
Materials Science, Multidisciplinary

ISSN:
0927-0256

DOI:
10.1016/j.commatsci.2010.09.029

IDS Number:
699IR

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

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Title:
Time-resolved red luminescence from europium-catalyzed single walled carbon nanotubes

Authors:
Sitharaman, B; Rajamani, S; Avti, PK

Author Full Names:
Sitharaman, Balaji; Rajamani, Saathyaki; Avti, Pramod K.

Source:
CHEMICAL COMMUNICATIONS 47 (5): 1607-1609 2011

Language:
English

Document Type:
Article

KeyWords Plus:
LANTHANIDE COMPLEXES; ABSORPTION; PROTEINS; LIGANDS; PROBES; WATER; IONS; DNA

Abstract:
The photo-physical properties of Eu-SWCNTs indicate that intrinsic excitonic properties of SWCNTs sensitize the lanthanoid element europium (Eu) to emit time-resolved red luminescence.

Reprint Address:
Sitharaman, B, SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA.

Research Institution addresses:
[Sitharaman, Balaji; Rajamani, Saathyaki; Avti, Pramod K.] SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA

E-mail Address:
Balaji.Sitharaman@stonybrook.edu

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Cited Reference Count:
24

Times Cited:
0

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

Subject Category:
Chemistry, Multidisciplinary

ISSN:
1359-7345

DOI:
10.1039/c0cc03014g

IDS Number:
708UJ

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Title:
Application of nonlocal beam models to double-walled carbon nanotubes under a moving nanoparticle. Part I: theoretical formulations

Authors:
Kiani, K

Author Full Names:
Kiani, Keivan

Source:
ACTA MECHANICA 216 (1-4): 165-195 2011

Language:
English

Document Type:
Article

KeyWords Plus:
DER-WAALS FORCES; CONTINUUM-MECHANICS; FLUID-FLOW; MASS; INSTABILITY; COMPOSITES; ELASTICITY; VIBRATIONS; TRACKS; WATER

Abstract:
The current work suggests mathematical models for the vibration of double-walled carbon nanotubes (DWCNTs) subjected to a moving nanoparticle by using nonlocal classical and shear deformable beam theories. The van der Waals interaction forces between atoms of the innermost and outermost tubes are modeled by an elastic layer. The equations of motion are derived for the nonlocal double body Euler-Bernoulli, Timoshenko and higher-order beams connected by a flexible layer under excitation of a moving nanoparticle. Analytical solutions of the problem are provided for the aforementioned nonlocal beam models with simply supported boundary conditions. The dynamical deflections and nonlocal bending moments of the innermost and outermost tubes are then obtained during the courses of excitation and free vibration. Finally, the critical velocities of the moving nanoparticle associated with the nonlocal beam theories are expressed in terms of small-scale effect parameter, geometry, and ma
terial properties of DWCNTs.

Reprint Address:
Kiani, K, Sharif Univ Technol, Dept Civil Engn, POB 11365-9313, Tehran, Iran.

Research Institution addresses:
Sharif Univ Technol, Dept Civil Engn, Tehran, Iran

E-mail Address:
k_kiani@civil.sharif.edu

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Cited Reference Count:
41

Times Cited:
3

Publisher:
SPRINGER WIEN; SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA

Subject Category:
Mechanics

ISSN:
0001-5970

DOI:
10.1007/s00707-010-0362-1

IDS Number:
708LC

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