Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Computational design and multiscale modeling of a nanoactuator using DNA actuation
Authors:
Hamdi, M
Author Full Names:
Hamdi, Mustapha
Source:
NANOTECHNOLOGY 20 (48): Art. No. 485501 DEC 2 2009
Language:
English
Document Type:
Article
KeyWords Plus:
CARBON NANOTUBES; STRANDED-DNA; NANOROBOTICS; INSERTION; PROTEIN; DEVICE
Abstract:
Developments in the field of nano-biodevices coupling nanostructures and biological components are of great interest in medical nanorobotics. As the fundamentals of bio/non-bio interaction processes are still poorly understood in the design of these devices, design tools and multiscale dynamics modeling approaches are necessary at the fabrication pre-project stage. This paper proposes a new concept of optimized carbon nanotube based servomotor design for drug delivery and biomolecular transport applications. The design of an encapsulated DNA-multi-walled carbon nanotube actuator is prototyped using multiscale modeling. The system is parametrized by using a quantum level approach and characterized by using a molecular dynamics simulation. Based on the analysis of the simulation results, a servo nanoactuator using ionic current feedback is simulated and analyzed for application as a drug delivery carrier.
Reprint Address:
Hamdi, M, Ecole Natl Ponts & Chaussees, INRIA MICMAC, 6 & 8 Ave Blaise Pascal, F-77455 Champs Sur Marne 2, Marne La Vallee, France.
Research Institution addresses:
Ecole Natl Ponts & Chaussees, INRIA MICMAC, F-77455 Champs Sur Marne 2, Marne La Vallee, France
E-mail Address:
hamdim@cermics.enpc.fr
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Cited Reference Count:
27
Times Cited:
0
Publisher:
IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
Subject Category:
Engineering, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied
ISSN:
0957-4484
DOI:
10.1088/0957-4484/20/48/485501
IDS Number:
515LF
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Title:
How Surface Wettabitity Affects the Binding, Folding, and Dynamics of Hydrophobic Polymers at Interfaces
Authors:
Jamadagni, SN; Godawat, R; Garde, S
Author Full Names:
Jamadagni, Sumanth N.; Godawat, Rahul; Garde, Shekhar
Source:
LANGMUIR 25 (22): 13092-13099 NOV 17 2009
Language:
English
Document Type:
Article
KeyWords Plus:
SELF-ASSEMBLED MONOLAYERS; LIQUID-STATE PROPERTIES; MOLECULAR-DYNAMICS; CARBON NANOTUBE; WATER; ADSORPTION; PROTEINS; TRANSITION; FIBRINOGEN; KINETICS
Abstract:
We present an extensive molecular simulation study of the behavior of a flexible hydrophobic 25-mer polymer at interfaces presenting a range of chemistries from hydrophobic (-CH3) to hydrophilic (-CONH2). We quantify the free energy of adsorption, conformational equilibria, and translational and conformational dynamics of the polymer at these diverse interfaces. Water-mediated interactions drive the polymer to adsorb strongly at a hydrophobic interface and repel it from hydrophilic ones. At hydrophilic surfaces, van der Waals interactions between the polymer and the surface mitigate this water-mediated repulsion, leading to weak adsorption of the polymer. Although the polymer is strongly adsorbed to hydrophobic surfaces, it is also most dynamic there. Translational diffusion and conformational dynamics are faster at hydrophobic surfaces compared to those,it hydrophilic ones. In bulk water, the polymer collapses into compact globular shapes, whereas the thermodynamic stabilit!
y of folded polymers is significantly lowered at hydrophobic Surfaces. The polymer spreads into pancake-like 2D conformations at hydrophobic surfaces and gradually beads up into globular shapes as the surface is made more hydrophilic. Interestingly the binding thermodynamics and dynamics correlate with macroscopic droplet contact angles that characterize the wetting properties of the different interfaces.
Reprint Address:
Garde, S, Rensselaer Polytech Inst, Howard P Isermann Dept Chem & Biol Engn, Troy, NY 12180 USA.
Research Institution addresses:
[Garde, Shekhar] Rensselaer Polytech Inst, Howard P Isermann Dept Chem & Biol Engn, Troy, NY 12180 USA; Rensselaer Polytech Inst, Ctr Biotechnol & Interdisciplinary Studies, Troy, NY 12180 USA
E-mail Address:
gardes@rpi.edu
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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, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary
ISSN:
0743-7463
DOI:
10.1021/la9011839
IDS Number:
516DV
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