Friday, July 31, 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:
Dewetting and Hydrophobic Interaction in Physical and Biological Systems

Authors:
Berne, BJ; Weeks, JD; Zhou, RH

Author Full Names:
Berne, Bruce J.; Weeks, John D.; Zhou, Ruhong

Source:
ANNUAL REVIEW OF PHYSICAL CHEMISTRY 60: 85-103 2009

Language:
English

Document Type:
Review

Author Keywords:
dewetting transition; effective length-scale-dependent interactions; protein folding; superhydrophobicity; nano hydrophobic plates; hydrophobic collapse of proteins; capillary drying; protein-ligand binding

KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; FLUCTUATING HYDRATION STRUCTURE; LIQUID-VAPOR INTERFACE; LENNARD-JONES FLUID; TIM BARREL PROTEIN; LIGAND-BINDING; FREE-ENERGIES; AQUEOUS UREA; FIELD THEORY; ATTRACTIVE INTERACTIONS

Abstract:
Hydrophobicity manifests itself differently oil large and small length scales. This review focuses oil large-length-scale hydrophobicity, particularly oil dewetting at single hydrophobic surfaces and drying in regions bounded oil two or more sides by hydrophobic surfaces. Bale review applicable theories, simulations, and experiments pertaining to large-scale hydrophobicity in Physical and biomolecular systems and clarify some of the critical issues pertaining to this subject. Given space constraints, we cannot review all the significant and interesting work in this active field.

Reprint Address:
Berne, BJ, Columbia Univ, Dept Chem, New York, NY 10027 USA.

Research Institution addresses:
[Berne, Bruce J.; Zhou, Ruhong] Columbia Univ, Dept Chem, New York, NY 10027 USA; [Berne, Bruce J.; Zhou, Ruhong] IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, Yorktown Hts, NY 10598 USA; [Weeks, John D.] Univ Maryland, Inst Phys Sci & Technol, College Pk, MD 20742 USA; [Weeks, John D.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA

E-mail Address:
bb8@columbia.edu

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Cited Reference Count:
145

Times Cited:
1

Publisher:
ANNUAL REVIEWS; 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA

Subject Category:
Chemistry, Physical

ISSN:
0066-426X

DOI:
10.1146/annurev.physchem.58.032806.104445

IDS Number:
471PT

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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: 5 new records this week (5 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Proton Affinities of Some Amino Acid Side Chains in a Restricted Environment

Authors:
Abi, TG; Anand, A; Taraphder, S

Author Full Names:
Abi, T. G.; Anand, Amit; Taraphder, Srabani

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 113 (28): 9570-9576 JUL 16 2009

Language:
English

Document Type:
Article

KeyWords Plus:
CARBONIC-ANHYDRASE-II; GAS-PHASE BASICITIES; TRANSFER PATHWAYS; WATER-MOLECULES; NANOTUBES; ION; SOLVATION; TRANSPORT; HYDRATION; ENERGY

Abstract:
We investigate the dependence of proton affinity values of the side chains of amino acids such as Asp, Glu, His, Ser, and Thr on confinement in a single-walled carbon nanotube. The proton affinity values, estimated using the density functional theories (PW91/dnp and BLYP/dnp), are found to be highly sensitive toward confinement. We find that for both Asp and Glu, the proton affinity, while suspended inside the carbon nanotube, becomes Much less in comparison to their respective gas phase values. In the case of His, Ser, and Thr side chains, on the other hand, the proton affinity inside the carbon nanotube becomes negative. Hydrogen bonding with neighboring polar groups is found to result in a marked increase in proton affinity inside the tube in all of the cases reported in this article. The increase is most remarkable in the case of His, Ser, and Thr side chains where the presence of polar neighboring groups within a hydrogen-bonding distance is found 10 augment the proton !
affinity value by more than 100 kcal mol(-1).

Reprint Address:
Taraphder, S, Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India.

Research Institution addresses:
[Abi, T. G.; Anand, Amit; Taraphder, Srabani] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India

E-mail Address:
srabani@chem.iitkgp.ernet.in

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Cited Reference Count:
55

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/jp808606b

IDS Number:
472NO

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Title:
Jump Reorientation of Water Molecules Confined in Narrow Carbon Nanotubes

Authors:
Mukherjee, B; Maiti, PK; Dasgupta, C; Sood, AK

Author Full Names:
Mukherjee, Biswaroop; Maiti, Prabal K.; Dasgupta, Chandan; Sood, A. K.

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 113 (30): 10322-10330 JUL 30 2009

Language:
English

Document Type:
Article

KeyWords Plus:
HYDROGEN-BOND DYNAMICS; LIQUID WATER; POTENTIAL FUNCTIONS; SPECTROSCOPY; HYDRATION; MODEL; RELAXATION; CONDUCTION; MECHANISM; GLASSES

Abstract:
We used molecular dynamics (MD) simulations to study the reorientational dynamics of water molecules confined inside narrow carbon nanotubes immersed in a bath of water. Our simulations show that the confined water molecules exhibit bistability in their reorientational relaxation, which proceeds by angular jumps between the two stable states. The angular jump of a water molecule in the bulk involves the breaking of a hydrogen bond with one of its neighbors and the formation of a hydrogen bond with a different neighbor. In contrast, the angular jump of a confined water molecule corresponds to an interchange of the two hydrogen atoms that can form a hydrogen bond with the same neighbor. The free energy barrier between these two states is a few k(B)T. The analytic solution of a simplified two-state jump model that qualitatively explains the reorientational behavior observed in simulations is also presented.

Reprint Address:
Mukherjee, B, Indian Inst Sci, Dept Phys, Ctr Condensed Matter Theory, Bangalore 560012, Karnataka, India.

Research Institution addresses:
[Mukherjee, Biswaroop; Maiti, Prabal K.; Dasgupta, Chandan] Indian Inst Sci, Dept Phys, Ctr Condensed Matter Theory, Bangalore 560012, Karnataka, India; [Sood, A. K.] Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India; [Mukherjee, Biswaroop; Dasgupta, Chandan] Jawaharlal Nehru Ctr Adv Sci Res, Condensed Matter Theory Unit, Bangalore 560064, Karnataka, India

E-mail Address:
biswa@physics.iisc.ernet.in; maiti@physics.iisc.ernet.in

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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/jp904099f

IDS Number:
473SY

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

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Title:
First-principles study on the tension-induced magnetic phase transition in Fe3C-single walled carbon nanotube compounds

Authors:
Yuan, SJ; Li, FS

Author Full Names:
Yuan, Shijun; Li, Fashen

Source:
JOURNAL OF APPLIED PHYSICS 106 (1): Art. No. 014307 JUL 1 2009

Language:
English

Document Type:
Article

Author Keywords:
ab initio calculations; band structure; carbon nanotubes; ferromagnetic materials; iron compounds; magnetic transitions; magnetomechanical effects; stress effects

KeyWords Plus:
PARTICLES

Abstract:
We report a first-principles investigation on the mechanical and magnetic properties of the compound of a single Fe3C cluster and single walled carbon nanotubes (SWNT) under uniaxial tensile stress. We find that the external tensile strain can induce a remarkably magnetic phase transition in the Fe3C-SWNT compounds. The results on geometrical and electronic structure suggest that the strong Fe-SWNT interaction plays an important role in determining the magnetic properties of the compounds.

Reprint Address:
Yuan, SJ, Southeast Univ, Dept Phys, Nanjing 211189, Peoples R China.

Research Institution addresses:
[Yuan, Shijun] Southeast Univ, Dept Phys, Nanjing 211189, Peoples R China; [Li, Fashen] Lanzhou Univ, Minist Educ, Key Lab Magnetism & Magnet Mat, Lanzhou 730000, Peoples R China

E-mail Address:
yuanshj@hust.edu.cn

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Cited Reference Count:
28

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:
10.1063/1.3159016

IDS Number:
471NK

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

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Title:
Dewetting and Hydrophobic Interaction in Physical and Biological Systems

Authors:
Berne, BJ; Weeks, JD; Zhou, RH

Author Full Names:
Berne, Bruce J.; Weeks, John D.; Zhou, Ruhong

Source:
ANNUAL REVIEW OF PHYSICAL CHEMISTRY 60: 85-103 2009

Language:
English

Document Type:
Review

Author Keywords:
dewetting transition; effective length-scale-dependent interactions; protein folding; superhydrophobicity; nano hydrophobic plates; hydrophobic collapse of proteins; capillary drying; protein-ligand binding

KeyWords Plus:
MOLECULAR-DYNAMICS SIMULATIONS; FLUCTUATING HYDRATION STRUCTURE; LIQUID-VAPOR INTERFACE; LENNARD-JONES FLUID; TIM BARREL PROTEIN; LIGAND-BINDING; FREE-ENERGIES; AQUEOUS UREA; FIELD THEORY; ATTRACTIVE INTERACTIONS

Abstract:
Hydrophobicity manifests itself differently oil large and small length scales. This review focuses oil large-length-scale hydrophobicity, particularly oil dewetting at single hydrophobic surfaces and drying in regions bounded oil two or more sides by hydrophobic surfaces. Bale review applicable theories, simulations, and experiments pertaining to large-scale hydrophobicity in Physical and biomolecular systems and clarify some of the critical issues pertaining to this subject. Given space constraints, we cannot review all the significant and interesting work in this active field.

Reprint Address:
Berne, BJ, Columbia Univ, Dept Chem, New York, NY 10027 USA.

Research Institution addresses:
[Berne, Bruce J.; Zhou, Ruhong] Columbia Univ, Dept Chem, New York, NY 10027 USA; [Berne, Bruce J.; Zhou, Ruhong] IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, Yorktown Hts, NY 10598 USA; [Weeks, John D.] Univ Maryland, Inst Phys Sci & Technol, College Pk, MD 20742 USA; [Weeks, John D.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA

E-mail Address:
bb8@columbia.edu

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145

Times Cited:
1

Publisher:
ANNUAL REVIEWS; 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA

Subject Category:
Chemistry, Physical

ISSN:
0066-426X

DOI:
10.1146/annurev.physchem.58.032806.104445

IDS Number:
471PT

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

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Title:
Equation-Free Multiscale Computation: Algorithms and Applications

Authors:
Kevrekidis, IG; Samaey, G

Author Full Names:
Kevrekidis, Ioannis G.; Samaey, Giovanni

Source:
ANNUAL REVIEW OF PHYSICAL CHEMISTRY 60: 321-344 2009

Language:
English

Document Type:
Review

Author Keywords:
complex systems; equation-free methods; simulation; bifurcation analysis; patch dynamics

KeyWords Plus:
BROWNIAN CONFIGURATION FIELDS; MONTE-CARLO SIMULATIONS; INDIVIDUAL-BASED MODELS; BIFURCATION-ANALYSIS; DIFFERENTIAL-EQUATIONS; MOLECULAR-DYNAMICS; OPTIMAL PREDICTION; DIMENSIONALITY REDUCTION; HOMOGENIZATION PROBLEMS; PROJECTIVE INTEGRATION

Abstract:
In traditional physicochemical modeling, one derives evolution equations at the (macroscopic, coarse) scale of interest; these are used to perform a variety of tasks (simulation, bifurcation analysis, Optimization) using an arsenal of analytical and numerical techniques. For many complex systems, however, although one observes evolution at a macroscopic scale of interest, accurate models ire only given at a more detailed (fine-scale, microscopic) level of description (e.g., lattice Boltzmann, kinetic Monte Carlo, molecular dynamics). Here, we review a framework for computer-aided multiscale analysis, which enables macroscopic computational tasks (over extended spatiotemporal scales) using only appropriately initialized microscopic simulation on short time and length scales. The methodology bypasses the derivation of macroscopic evolution equations when these equations conceptual), exist but are not available in closed form-hence the term equation-free. We selectively discuss!
basic algorithms and underlying principles and illustrate the approach through representative applications. We also discuss potential difficulties and outline areas for future research.

Reprint Address:
Kevrekidis, IG, Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA.

Research Institution addresses:
[Kevrekidis, Ioannis G.] Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA; [Kevrekidis, Ioannis G.] Princeton Univ, Program Appl & Computat Math, Princeton, NJ 08544 USA; [Samaey, Giovanni] Katholieke Univ Leuven, Dept Comp Sci, B-3001 Louvain, Belgium

E-mail Address:
yannis@princeton.edu; giovanni.samaey@cs.kuleuven.be

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Cited Reference Count:
150

Times Cited:
0

Publisher:
ANNUAL REVIEWS; 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0139 USA

Subject Category:
Chemistry, Physical

ISSN:
0066-426X

DOI:
10.1146/annurev.physchem.59.032607.093610

IDS Number:
471PT

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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
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Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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*Order Full Text [ ]
AU Wild, E
Jones, KC
AF Wild, Edward
Jones, Kevin C.
TI Novel Method for the Direct Visualization of in Vivo Nanomaterials and
Chemical Interactions in Plants
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID NEAR-INFRARED FLUORESCENCE; WALLED CARBON NANOTUBES; BEHAVIOR;
NANOPARTICLES; ENVIRONMENT; TRANSPORT; CELLS
AB The increasing use of nanomaterials in almost all sectors of society
(e.g., health or energy to agriculture and transport) has generated a
need for innovative detection methods for nanomaterials, to enable
their continued development, environmental and toxicological
monitoring, and risk assessment. In vivo nanoparticle visualization is
needed to support applications in drug delivery to plant biology where
real-time monitoring is essential. Techniques are sought that do not
require the addition of molecular tags or nanotags to enhance
detection, because these may modify the surface, properties or behavior
of the nanomaterials. Here two-photon excitation microscopy coupled
with plant, nanomaterial, or chemical autofluorescence is used to
detect and visualize multiwalled carbon nanotubes (MWCNTs), titanium
dioxide, and cerium dioxide in living wheat tissues. The potential of
the technique to track chemical-nanomaterial interactions in living
tissues is then demonstrated, using phenanthrene as a model compound.
MWCNTs were observed to pierce wheat root cell walls and enhance the
transport of phenanthrene into the living cells. The ability of this
technique to monitor real-time in vivo nanomaterial behavior and its
potential applications and limitations for use in various disciplines
is highlighted.
C1 [Wild, Edward; Jones, Kevin C.] Univ Lancaster, Lancaster Environm Ctr, Lancaster LA1 4YQ, England.
RP Wild, E, Univ Lancaster, Lancaster Environm Ctr, Lancaster LA1 4YQ,
England.
EM e.wild@lancaster.ac.uk
CR *INT COUNC NAN, 2008, 4 INT COUNC NAN
*ROYAL COMM ENV PO, 2008, 27 ROYAL COMM ENV PO
BAUGHMAN RH, 2006, NAT NANOTECHNOL, V1, P94, DOI 10.1038/nnano.2006.109
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SCHREINER KM, 2009, ENVIRON SCI TECHNOL, V43, P3162, DOI
10.1021/es801873q
SHI DL, 2007, ADV MATER, V19, P4033, DOI 10.1002/adma.200700035
STONE V, 2006, NAT NANOTECHNOL, V1, P23, DOI 10.1038/nnano.2006.69
WAISEL Y, 2002, PLANT ROOTS HIDDEN H
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WILD E, 2005, ENVIRON SCI TECHNOL, V39, P3695, DOI 10.1021/es048136a
WILD E, 2007, ENVIRON SCI TECHNOL, V41, P5935
YANG K, 2006, ENVIRON SCI TECHNOL, V40, P1855, DOI 10.1021/es052208w
NR 26
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0013-936X
DI 10.1021/es900065h
PD JUL 15
VL 43
IS 14
BP 5290
EP 5294
SC Engineering, Environmental; Environmental Sciences
GA 472NE
UT ISI:000268138000022
ER

EF

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Friday, July 24, 2009

ISI Web of Knowledge Alert - Ghosh, S

ISI Web of Knowledge Citation Alert

Cited Article: Ghosh, S. Carbon nanotube flow sensors
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:
THE STATE OF THE ART IN BIOMATERIALS AS NANOBIOPHARMACEUTICALS

Authors:
Veerapandian, M; Yun, K

Author Full Names:
Veerapandian, Murugan; Yun, Kyusik

Source:
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES 4 (2): 243-262 JUN 2009

Language:
English

Document Type:
Review

Author Keywords:
Biomaterials; Nanotechnology; Nanomedicine; Nanobiopharmaceutical

KeyWords Plus:
SOLID LIPID NANOPARTICLES; PROTEIN CAGE ARCHITECTURE; CONTROLLED DRUG-DELIVERY; GROWN CARBON NANOFIBERS; QUANTUM DOTS; CONTRAST AGENTS; IN-VIVO; CHITOSAN NANOPARTICLES; SILICA NANOPARTICLES; CLINICAL-APPLICATIONS

Abstract:
The development of wide spectrum of drug delivery systems is fundamental importance to change the establishment of disease diagnosis, treatment and prevention. The fusion technologies of material science and nanomedicine have emerged as a new alternative and efficient field for transporting and translocating the therapeutic molecules. Biologically active materials can be functionalized with peptides, proteins, nucleic acids and drugs, and also be used as the delivery system to cell and organs. Today nanoscience and pharmaceutical technology approaches to drug design and formulation to enhance the biological behavior and safety profile. Unique higher surface area, surface roughness, altered electron distribution, energetics and biological activity of standardized materials made a feasible role in therapeutics. Rationalized material, drug design and formulation will ensure the good clinical significance of the pharmaceutical product. This article will highlight the distinguish!
ed nanoscale biomaterials categorized by metal, non-metal, carbon, polymer, lipid, virus and miscellaneous nanostructures as nanobiopharmaceutical carrier systems and their medical/biological applications and toxicological issues in the field of biomedical nanotechnology.

Reprint Address:
Yun, K, Kyungwon Univ, Coll Bionanotechnol, San65, Songnam 461701, Gyeonggi Do, South Korea.

Research Institution addresses:
[Veerapandian, Murugan; Yun, Kyusik] Kyungwon Univ, Coll Bionanotechnol, Songnam 461701, Gyeonggi Do, South Korea

E-mail Address:
ykyusik@kyungwon.ac.kr

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Cited Reference Count:
145

Times Cited:
0

Publisher:
INST MATERIALS PHYSICS; NATL INST R&D MATERIALS PHYSICS, ATOMISTILOR STR, 105 BIS, BUCHAREST, 077125, ROMANIA

Subject Category:
Nanoscience & Nanotechnology; Materials Science, Multidisciplinary

ISSN:
1842-3582

IDS Number:
468OV

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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:
Molecular dynamics investigation of hydration of nanoscopic hydrophobic paraffin-like plates

Authors:
Choudhury, N

Author Full Names:
Choudhury, Niharendu

Source:
JOURNAL OF CHEMICAL PHYSICS 131 (1): Art. No. 014507 JUL 7 2009

Language:
English

Document Type:
Article

Author Keywords:
hydrogen bonds; hydrophobicity; molecular dynamics method; molecular moments; molecular orientation; plates (structures); solvation; water; wetting

KeyWords Plus:
DEWETTING TRANSITION; HYDROPHILIC SURFACES; CARBON NANOTUBES; LIQUID WATER; SOLUTE SIZE; SIMULATION; COLLAPSE; C-60; INTERFACES; NANOSCALE

Abstract:
The effect of surface characteristics on the hydration behavior of various paraffin-like plates has been investigated. Structure and orientation characteristics of the water molecules in the solvation shells of various nanoscopic paraffin-like plates differing from each other in the intermolecular spacing have been extensively studied using molecular dynamics simulation in isothermal-isobaric ensemble. Single particle density distribution of water molecules around the plate reveals well defined solvation shells around each of the paraffin-like plates studied here. A sharp first peak in the density profile in each of the plates signifies no visible dewetting around the paraffin plate. Instantaneous density of water molecules around the plate also reveals that the plate is sufficiently hydrated and there is no intermittent fluctuation in water density in the first hydration shell leading to short lived dewetted state for any of the model plates within the two nanosecond time s!
pan. This is in contrast to the hydration behavior of the intersolute region, where intersolute dewetting has been observed for some of the model plates. Thus the present results demonstrate that dewetting in the intersolute region of nanoscopic hydrophobic plates does not stem from drying interface of the individual solute. No significant effect of surface topology on the orientational structure of water molecules as revealed through distributions of dipole moment as well as oxygen-hydrogen bond vectors of a water molecule in different solvation shells has been observed.

Reprint Address:
Choudhury, N, Bhabha Atom Res Ctr, Theoret Chem Sect, Chem Grp, Bombay 400085, Maharashtra, India.

Research Institution addresses:
Bhabha Atom Res Ctr, Theoret Chem Sect, Chem Grp, Bombay 400085, Maharashtra, India

E-mail Address:
nihcho@barc.gov.in

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Cited Reference Count:
51

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:
10.1063/1.3155186

IDS Number:
468EY

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Title:
Proton Transport Pathway in the CIC Cl-/H+ Antiporter

Authors:
Wang, D; Voth, GA

Author Full Names:
Wang, Dong; Voth, Gregory A.

Source:
BIOPHYSICAL JOURNAL 97 (1): 121-131 JUL 8 2009

Language:
English

Document Type:
Article

KeyWords Plus:
VALENCE-BOND MODEL; CHLORIDE CHANNELS; COMPUTER-SIMULATION; EXCHANGE TRANSPORTER; BIOMOLECULAR SYSTEMS; PROKARYOTIC HOMOLOG; ESCHERICHIA-COLI; SIDE-CHAIN; WATER; PROTEINS

Abstract:
A fundamental question concerning the CIC Cl-/H+ antiporters is the nature of their proton transport (PT) pathway, We addressed this issue by using a novel computational methodology capable of describing the explicit PT dynamics in the CIC-ec1 protein. The main result is that the Glu(203) residue delivers a proton from the intracellular solution to the core of CIC-ec1 via a rotation of its side chain and subsequent acid dissociation. After reorientation of the Glu(203) side chain, a transient water-mediated PT pathway between Glu(203) and Glu(148) is established that is able to receive and translocate the proton via Grotthuss shuttling after deprotonation of Glu(203). A molecular-dynamics simulation of an explicit hydrated excess proton in this pathway suggests that a negatively charged Glu(148) and the central Cl- ion act together to drive H+ to the extracellular side of the membrane. This finding is consistent with the experimental result that Cl- binding to the central si!
te facilitates the proton movement. A calculation of the PT free-energy barrier for the CIC-ec1 E203V mutant also supports the proposal that a dissociable residue is required at this position for efficient delivery of H+ to the protein interior, in agreement with recent experimental results.

Reprint Address:
Voth, GA, Univ Utah, Ctr Biophys Modeling & Simulat, Salt Lake City, UT 84112 USA.

Research Institution addresses:
[Voth, Gregory A.] Univ Utah, Ctr Biophys Modeling & Simulat, Salt Lake City, UT 84112 USA; Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA

E-mail Address:
voth@chem.utah.edu

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Cited Reference Count:
52

Times Cited:
0

Publisher:
CELL PRESS; 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA

Subject Category:
Biophysics

ISSN:
0006-3495

DOI:
10.1016/j.bpj.2009.04.038

IDS Number:
469BV

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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: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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AU Unnikrishnan, S
Jansen, HV
Falke, FH
Tas, NR
Van Wolferen, HAGM
De Boer, MJ
Sanders, RGP
Elwenspoek, MC
AF Unnikrishnan, S.
Jansen, H. V.
Falke, F. H.
Tas, N. R.
Van Wolferen, H. A. G. M.
De Boer, M. J.
Sanders, R. G. P.
Elwenspoek, M. C.
TI Transition flow through an ultra-thin nanosieve
SO NANOTECHNOLOGY
LA English
DT Article
ID MEMBRANES; GASES; SEPARATION; TUBES; PORE
AB The fabrication and gas flow characterization of an ultra-thin
inorganic nanosieve structured by interference lithography and a
bond-micromachining approach are reported. The nanosieve has been
observed to exhibit transition gas flow behaviour around atmospheric
pressure and ambient temperature. The small lip thickness (45 nm) of
the nanopores with respect to their diameter (120 nm) helps in
understanding pure transition flow by minimizing interactions between
the molecule and inner pore wall. Due to the absence of these
collisions, the transition flux is the superimposition of viscous and
molecular fluxes without the need for higher-order slip correction. The
nanosieve shows a flow selectivity of 3.1 between helium and argon at
20 mbar.
C1 [Unnikrishnan, S.; Jansen, H. V.; Falke, F. H.; Tas, N. R.; Van Wolferen, H. A. G. M.; De Boer, M. J.; Sanders, R. G. P.; Elwenspoek, M. C.] Univ Twente, MESA Inst Nanotechnol, Transducers Sci & Technol Grp, NL-7500 AE Enschede, Netherlands.
[Elwenspoek, M. C.] Univ Freiburg, FRIAS, D-79194 Freiburg, Germany.
RP Unnikrishnan, S, Univ Twente, MESA Inst Nanotechnol, Transducers Sci &
Technol Grp, POB 217, NL-7500 AE Enschede, Netherlands.
EM s.unnikrishnan@ewi.utwente.nl
CR ARKILIC EB, 2001, J FLUID MECH, V437, P29
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KENNARD E, 1938, KINETIC THEORY GASES
KNUDSEN M, 1995, J MEMBRANE SCI, V100, P23
KUIPER S, 1998, J MEMBRANE SCI, V150, P1
KUIPER S, 2001, J MICROMECH MICROENG, V11, P33
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NR 24
TC 0
PU IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 0957-4484
DI 10.1088/0957-4484/20/30/305304
PD JUL 29
VL 20
IS 30
AR 305304
SC Engineering, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
GA 468LW
UT ISI:000267821000009
ER

EF

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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:
Effects of H-2 plasma pretreated Ni catalysts on the growth of carbon nanotubes

Authors:
Jian, SR

Author Full Names:
Jian, Sheng-Rui

Source:
MATERIALS CHEMISTRY AND PHYSICS 115 (2-3): 740-743 JUN 15 2009

Language:
English

Document Type:
Article

Author Keywords:
Multi-walled carbon nanotubes; H-2 pretreatment; Raman spectroscopy; Scanning electron microscopy; Transmission electron microscopy

KeyWords Plus:
CHEMICAL-VAPOR-DEPOSITION; RAPID GROWTH; ARRAYS; DENSITY; SENSORS; FLOW

Abstract:
Presented in this study are the effects of pretreatment temperature during H-2 plasma on synthesizing the multi-walled carbon nanotubes (MWCNTs) by using the microwave plasma chemical vapor deposition (MPCVD). A H-2 and CH4 gas mixture with a 9:1 ratio was used as a precursor for the synthesis of MW-NTs on Ni-coated TiN/Si (100) substrates. The structure and composition of Ni catalyst nanoparticles were investigated using scanning electron microscopy (SEM) and cross-sectional transmission electron microscopy (XTEM) techniques. The present findings showed that denser Ni catalyst nanoparticles and more vertically aligned MWCNTs could be effectively achieved at higher pretreatment temperature during H-2 plasma. The results of Raman spectra and TEM indicate that the morphologies of MWCNTs transform from amorphous carbon to a crystalline graphite structure or finite-sized graphite structure, depending on the pretreatment temperature during H-2 plasma. In addition. TEM results sug!
gest that H-2 plasma pretreatment can effectively reduce the amorphous carbon and carbonaceous particles. A decrease in the number of defects and optimized morphologies therefore is believed to play a significant role in improving the field-emission characteristics observed in the future. (C) 2009 Elsevier B.V. All rights reserved.

Reprint Address:
Jian, SR, I Shou Univ, Dept Mat Sci & Engn, Kaohsiung 840, Taiwan.

Research Institution addresses:
I Shou Univ, Dept Mat Sci & Engn, Kaohsiung 840, Taiwan

E-mail Address:
srjian@gmail.com

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Cited Reference Count:
30

Times Cited:
0

Publisher:
ELSEVIER SCIENCE SA; PO BOX 564, 1001 LAUSANNE, SWITZERLAND

Subject Category:
Materials Science, Multidisciplinary

ISSN:
0254-0584

DOI:
10.1016/j.matchemphys.2009.02.018

IDS Number:
467ZX

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