ONGOING INVESTIGATIONS

	Nanoporous Multifunctionalized Organosilicates Nanoporous multifunctionalized organosilicates have potential uses as environmentally friendly adsorbents, heterogeneous catalysts, water purification and bio-separation agents, as well as components in optical and electronic devices and advanced structural composites. The Nanoporous Multifunctionalized Organosilicates project builds upon the research in the Center on synthesized nanoporous aluminosilicates and aluminophosphates that contain, separately, transition metals, e.g., cobalt, chromium, titanium, manganese, copper, iron, and vanadium, and organic functionalities, e.g., amines, phenylenes, and thiois.
	Synthesis and Property Studies of Functionalized Carbon Nanotubes Carbon nanotubes have unique size, shape, and properties that can be exploited in thermal, electronic, photonic, and structural applications. For example, weight reduction in infrastructure systems (bridges, automobiles, airplanes, etc.) can be achieved by replacing the metal components with advanced composites. In addition, without being functionalized, carbon nanotubes are difficult to process and tailor for various applications. Using carbon fibers in advanced composites, however, can induce galvanic corrosion. Carbon nanotubes, appropriately functionalized, have potential use as corrosion inhibitors.
	Preparation and Photocatalytic Reactivity of Nanostructured TiO2/Al2O3 Composites Oxidative decomposition reactions comprise an important class of reactions for which metal oxides or supported metal oxides are the dominant catalysts. This work focuses on the synthesis and reactivity of nano-dimensional oxide clusters involving primarily titanium dioxide and aluminum oxide. The objective of the proposed research is to synthesize nano-dimensional metal oxides and examine their reactivity for oxidation chemistry and photo-induced oxidation chemistry.
	Analysis of Nanomaterial Bioconjugates Delivered Anticancer Phytochemicals on Tissue Targeting, Gene Expression and Cell-Cycle Regulation We are interested in the use of nano-biomaterials to facilitate the transport of anticancer phytochemicals across cell membranes, availability of therapeutics at specific target sites, cell-cell interactions, signal transduction pathways, immune responses and disease diagnosis. We are currently fabricating B-cyclodextrin-PEG-folic acid derivatives to elucidate the mechanisms of cholesterol and phytosterol mediated cellular proliferation and apoptosis of prostate cancer cells.
	Design and Preparation of Nanomaterials (polymer based) Synthesis of functional nanostructures for therapeutics and biodiagnostics; functionalized nanofibers as the active component of photonic and electronic sensors; preparation of synthetic biomimetic structures by self-assembly of chiral polymers, i.e., bottom-up preparation of biofunctional nanostructures.
	Origins of Chemical Reactivity The structural origin of hard-soft behavior in atomic acids and bases is being explored using a simple orbital model and a new thermodynamic scale developed in these laboratories for chemical hardness, which has been named the operational chemical hardness. The Pearson Principle of Hard and Soft Acids and Bases is being taken to be the defining statement about hard-soft behavior and as a definition of chemical hardness. A modified Slater model is being used to discern the electronic origin of hard-soft behavior. Thus, understanding of the behavior of simple atomic species is servicing as the basis for studies of molecular species.
	The Noncovalent Modification of Carbon Nanotubes (CNTs) with the Specific Motifs Our goal is to develop nanocomposites with modified CNTs embedded in the system with long-term stability. The properties we are interested in investigating are of thermal, electronic/electric, and optical importance. Although the local pseudo-planar geometry often induces the π-π stacking interaction with aromatic substrates, the CNTs can act either as an electron-donating entity or an electron-accepting entity. We will explore all the possible factors that can enhance interactions between CNTs and substrates of interest. Our approaches use substrates such as porphyrins, polyimides, and Schiff bases as well as flexible chains. Through this study, the research will generate knowledge, methods, and materials to advance science and technology.
	GaAs/AlGaAs Heterostructures Electron micrograph of free–standing GaAs quantum wells fabricated by selective etching of epitaxially grown GaAs/AlGaAs heterostructures.

SENIOR INVESTIGATORS

	Ananaba, Godwin A. Ph.D., Clark Atlanta University [Biochemical Genetics, Cell and Molecular Biology] We are interested in the use of nano-biomaterials to facilitate the transport of anticancer phytochemicals across cell membranes, availability of therapeutics at specific target sites, cell-cell interactions, signal transduction pathways, immune responses and disease diagnosis. We are currently fabricating β-cyclodextrin-PEG-folic acid derivatives to elucidate the mechanisms of cholesterol and phytosterol mediated cellular proliferation and apoptosis of prostate cancer cells.
	Baird, Barbara Ph.D., Cornell University [Chemistry]
	Bu, Xiu-Ren Ph.D., Nanjing University [Organic and Coordination Chemistry] Organic, inorganic, polymer materials of various size, chromophores with opto-electric or electro-optical properties, therapeutic reagents/anti-tumor reagents, photosensitizers, asymmetrical catalyses, phase transfer catalysis, fluorescent NIR dyes and molecular sensors, and environmental remediation.
	Harruna, Issifu Ph.D., Atlanta University [Organic and Polymer Chemistry] Functionalization of carbon nanotubes for anti-galvanic corrosion applications and the synthesis and characterization of light-emitting organic polymers. Also, the using of RAFT polymerization in the synthesis of novel self-assembly polymers.
	Ingram, Conrad Ph.D., University of West Indies [Inorganic ]
	Khan, Ishrat M. Ph.D., University of Florida [Organic Polymer Chemistry] Synthesis of functional nanostructures for therapeutics and biodiagnostics; Functionalized nanofibers as the active component of photonic and electronic sensors; Preparation of synthetic biomimetic structures by self-assembly of chiral polymers, i.e., bottom-up preparation of biofunctional nanostructures.
	Marsteller, Patricia A. Ph.D., University of Florida [Evolution; Science  Education K12, Undergraduate, Graduate and Faculty] Directs the Emory College Center for Science Education  (www.cse.emory.edu) and is a faculty member in the department of Biology. Primary interest in the history and philosophy of science, the evolution of ethics, and in transforming science education K through gray.
	Mintz, Eric A. Ph.D., University of Massachusetts [Organic Chemistry] Nanostructured metal oxide composites, photocatalysis, photocatalytic water purification, polymer matrix composites (PMCs) and nanostructured PMCs, green synthesis of polymers and polymer precursors.
	Msezane, Alfred Ph.D., University of Western Ontario, London, Canada [Physics] We develop methods for calculating Regge trajectories and residues for singular and nonsingular potentials, important in collisions, chemical reactions and atom-diatom systems. Methods are developed for calculating the generalized oscillator strength, useful in probing the intricate nature of the valence- and open-shell and inner-shell electron transitions. Correlation effects in dipole and non-dipole photoionization are studied. Regge trajectories probe the near-threshold formation of negative ions as Regge resonances in electron scattering, revealing new manifestations.
	Reed, James L. Ph.D., Northwestern University [Inorganic Chemistry] Of interest are the synthesis, modification and structure of potential transition metal molecular catalysis. Also of interest are the synthesis and modification of nanoscale-layered inorganic compounds as well as exploration of the impact of absolute electronegativity and absolute hardness on chemical reactivity of these substances. Under investigation are the development of molecular electronegativity functions and the experimental measurement of chemical hardness.
	Wang, Xiao-Qian Ph.D., International School for Advanced Studies [ ] Materials theory and quantum chemistry. Structural and electronic properties of nanostructures semiconducting nanowires, noncovelent functionalization of carbon nanotubes, shape memory alloys, surfaces, and strongly correlated electrons.
	Williams, Michael D. Ph.D., Stanford University [Surface Physics] My research activities are focused on achieving a fundamental understanding of the physical processes occurring at the surfaces and interfaces of epitaxially grown semiconductors.  Phenomena of interest are strain effects on electronic structure, the interfacial migration of constituent materials, surface reaction kinetics and valence band offsets.
	Williams, Myron Ph.D., Massachusetts Institute of Technology[Biochemistry, Prostate Cancer, Protein Engineering] There are extensive oral traditions for the medicinal use of botanical products.  However, different batches of herbal preparations often vary in chemical composition, and have not been subjected to rigorous quantitative scientific analysis.  We are using human cancer cells to measure the cytotoxic activities found in Noni fruit extracts, from the Pacific evergreen tree Morinda citrifolia, and trying to determine the mechanism of actions of the preparations and their components.  We will also be investigating the role of differential solubility on drug delivery using nanoparticle encapsulation.

SELECTED CENTER PUBLICATIONS

Spatial Carrier Confinement in Core-Shell and Multishell Nanowire Heterostructures, A. Nduwimana, R. N. Musin, A. M. Smith and Xiao-Qian Wang, Nano. Lett. Vol. 8, No. 10, 3341-3344, 2008.

Molecular Orientation in Individual Electrospun Nanofibers Measured via Polarized Raman Spectroscopy, Leon Bellan and Harold Craighead, Polymer, 49, 3125-3129, 2008

Synthesis and characterization of α,ω-bi[2,4-dinitrophenyl(DNP)]poly(2-methoxystyrene) functional polymers. Preliminary evaluation of the interaction of the funcational polymers with mast cells, B. Sannigrahi, I.Khan, D. Sil, B. Baird, Journal of Macromolecular Science, Part A, 45 (8), 664 -671, 2008

Hard and Soft Acids and Bases: Atoms and Ions, J. L. Reed, Inorg. Chem., 47,5591-5600, 2008.

Nanochannels fabricated in polydimethylsiloxane using sacrificial electrospun polyethylene oxide nanofibers, Leon Bellan, Elizabeth Strychalski, and Harold Craighead, in press JVST B. 2008.

Enhancement of HeLa and Osteoblast Cell Growth on Higher Structurally Ordered (Chiral Helical) Poly (2-methoxystyrene) Surfaces, Keith Gordon, Biswajit Sannigrahi, Paul McGeady, X. Q. Wang, and Ishrat M. Khan J. Polym. Sci. Biomaterials, in final revision, 2008.

Investigation of the Dynamic Melt Rheology of GRC-A Zeolite L Mixtures, T. Renee Brown, Donald Hylton, Eric A. Mintz, Conrad Ingram, Candace, James, and Kathy C. Chuang, Society for the Advancement of Materials and Process Engineering (in press) 2008.

Near-Threshold Electron Attachment as Regge Resonances: Cross Sections for K, Rb and Cs Atoms, A.Z. Msezane, Z. Felfli and D. Sokolovski, J. Phys. Chem., To Appear. 2008.

Dramatic Resonances in Low- Energy Electron Scattering from Rb, Cs and Fr, A.Z. Msezane, Z. Felfli, and D. Sokolovski, Chem. Phys. Lett., At Press, 2008.

Near-Threshold Resonances in Electron Elastic Scattering Cross Sections for Au and Pt Atoms, Z. Felfli, A.Z. Msezane and D. Sokolovski, J. Phys. B, At Press (2008)

Simple Method for Electron Affinity Determination: Results for Ca, Sr and Ce, Z. Felfli, A.Z. Msezane, and D. Sokolovski, J. Phys. B 41, 041001 (2008) (FAST TRACK)

Quantum confinement effect in Si/Ge core-shell nanowires: First-principles calculations, L. Yang, R. Musin, X. Q. Wang, and M. Y. Chou, Phys. Rev. B (in press) (2008).

Composite Semions for an Inhomogeneous quantum Hall Fluid, O. Ciftja and X. Q. Wang, Phys. Rev. Lett., in review (2008).

Investigation of Negative Electron Affinity in Hydrogen Complex Deactivated Surface of InP:Zn (100), Michael D. Williams., in press, JVST A 2008.

Non-covalent nano-adducts of co-poly(ester amide) and poly(ethylene glycol): preparation, characterization and model drug release studies, I. Legashvili, N. Nepharidze, R. Katsarava, B. Sannigrahi and I. Khan, J. Polym. Sci. Biomaterials, 18, 673-685, 2007.

Synthesis of Tris(2,2’-bipyridine)ruthenium-Cored Star-Shaped Polymers via RAFT Polymerization, G. Zhou, J. He, I. I. Harruna, Journal of Polymer Science: Part A: Polymer Chemistry, 45, 4225-4239, (2007).

Self-Assembly of Amphiphilic Tris(2,2’-bipyridine)ruthenium-Cored Star-Shaped Polymers, G. Zhou, J. He, I. I. Harruna, Journal of Polymer Science:Part A: Polymer Chemistry, 45, 4204-4210, (2007).

Zhou, G.; Harruna, I. I., “Interpretation of Reversible-Addition Fragmentation Chain-Transfer Polymerization Mechanism by MALDI-TOF-MS”, Analytical Chemistry, 79, 2722-2727, 2007.

Zhou, G.; Harruna, I. I.; Zhou, W., Aicher, W. K., Geckeler, K. E., “Nanostructured Thermosensitive Polymers with Radical Scavenging Ability”, Chem. Europ. J., 13, 569-573, 2007.

Conferences:

Olayinka Ogunro II. “2008 International Symposium on Spectral Sensing Research (ISSSR),” Stevens Institute of Technology in Hoboken, NJ,  June 23-27, 2008.

Olayinka Ogunro II and X. Q. Wang, “Self-assembly of Biomolecule-carbon Nanotube: a Simulation Study - Recent Developments in Electronic Structure." University of Illinois at Urbana-Champaign, June 18 - June 20, 2008.

Nduwimana and X. Q. Wang, “Quantum charge confinement in nanowire heterrostructures”

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This is a National Science Foundation (NSF)/Center for Research Excellence in Science and Technology (CREST)/
Center for Functional Nanoscale Materials (CFNM) supported grant (GRANT #HRD-0630456).