Lee, J.; Shanbhag, S.; Kotov, N.A., "Inverted Colloidal Crystal Scaffolds as Three Dimensional Microenvironments to Study
Cell Interactions in Co-Cultures", J. Mater. Chem., 2006, 16, 3558.
Three new aspects of cell culture in ICC scaffolds were reported in this paper: (i) layer-by-layer assembly
was used to deposit clay/PDDA multilayers on the ICC scaffolds to enhance cell adhesion (ii) a co-culture
system consisting of adherent and ameboid cells was cultured (iii) cell-cell interaction was investigated
using Brownian dynamics simulations.
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Shanbhag, S.; Kotov, N.A., "On the Origin of a Permanent Dipole Moment in Nanocrystals with a Cubic Crystal
Lattice: Effects of Truncation, Stabilizers, and Medium for CdS Tetrahedral Homologues", J. Phys. Chem. B,
2006, 110(25), 12211.
A large anomalous dipole moment has previously been reported for nanocrystals with a cubic crystal lattice. By
considering truncations of a regular tetrahedral CdS nanocrystal, the hypothesis that shape asymmetry is responsible
for the observed dipole moment was tested and verified. The location and degree of the truncations were systematically
varied, and corresponding dipole moments were calculated by using a PM3 semiempirical quantum mechanical algorithm.
The calculated dipole moment of 50-100 D is in good agreement with a variety of experimental data.
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Tang, Z.; Wang, Y.; Shanbhag, S.; Kotov, N.A., "Spontaneous CdTe -> Alloy -> CdS Transition
of Stabilizer-Depleted CdTe Nanoparticles Induced by EDTA", J. Am. Chem. Soc.,
2006, 128, 7036.
In this paper, CdTe nanoparticles stabilized by L-cysteine are chemically transformed into CdS
nanoparticles of the same diameter via an intermediate CdTeS alloy without any auxiliary source
of sulfur. EDTA induces and catalyzes this reaction by removing the thiol stabilizers from the nanoparticle
surface.
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Tang, Z.; Wang, Y.; Shanbhag, S.; Giersig, M; Kotov, N.A., "Self-Reorganization of CdTe
Nanoparticles into Highly Asymmetrical, Angled Te Nanocrystals", J. Am. Chem. Soc.,
2006, 128, 6730.
In this paper, spontaneous synthesis of a wide variety of anisotropic branched Te nanocrystals following partial removal of the
stabilizers of L-cysteine from CdTe nanoparticles is reported. These complex structures are formed via a merger of individual
rod-shaped crystallites due to "stickiness" (high-energy crystal faces) of the rod apexes.
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Shanbhag, S.; Larson, R.G., "Identification of Topological Constraints in Entangled Polymer
Melts using the Bond-Fluctuation Model", Macromolecules, 2006, 39(6), 2413.
In this paper, we proposed an algorithm to spatially locate individual entanglements along chains,
equilibrated using the BFM. For well-entangled chains, the average number of entanglements enumerated
using the proposed method agrees with the number of entanglements per chain inferred using the ensemble-averaged
method. Further, we show that the elimination of an entanglement releases, approximately, one additional
entanglement. This assigns a value of unity to the dilution exponent that subsumes the nature of coupling between
entanglements in the tube model.
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Shanbhag, S.; Lee, J.; Kotov, N.A., "Cell Scaffolds with Three-Dimensional Order: The Role
of Modeling in Establishing Design Guidelines", Aust. J. Chem., 2005, 58, 713.
Using Brownian dynamics simulations, and modeling cells as hard spheres, two properties were monitored (i)
diffusivity of the cell, and (ii) extent of cell-scaffold interaction. We suggested a procedure to explore the
available design space and identify an viable region, and evaluated it against earlier experimental observations.
For human hepatocellular carcinoma cells (size = 5 microns), we found that cells remained viable only in ICC cavities
of radius R=35-50 microns (pore size = 0.2R).
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Shanbhag, S.; Wang, S.; Kotov, N.A., "Cell Distribution Profiles in Three Dimensional Scaffolds
with Inverted Colloidal Crystal Geometry: Modeling and Experiment", Small, 2005,
1(12), 1208.
In this paper we integrated results from previous Brownian dynamics simulations with a 3D reaction-diffusion
type PDE model to explain and predict cell growth on ICC scaffolds. Rapid growth of cells at the periphery
depleted the nutrient supply to the cells seeded at the core of the scaffold, resulting in non-uniform cell grown.
Alternate seeding techniques, where only the core of the scaffold was seeded, and the impact of flow fields to support
tissue growth were examined.
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