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Molecular Dynamics Simulation of Dendrimers with Encapsulated Metals

Tahir Cagin*, a, Donald Tomaliab William A. Goddard, IIIa

a Materials and Process Simulation Center, California Institute of Technology,
Pasadena, CA, 91125

bMichigan Molecular Institute, Midland, Michigan

This is an abstract for a presentation given at the
Sixth Foresight Conference on Molecular Nanotechnology.
There will be a link from here to the full article when it is available on the web.

 

There are enormous opportunities for developing nanoscale particles, nanstrucured materials, and nanoscale devices with enhanced sensitivity, performance using dendrimers.

Recent results suggest that dendritic polymers, a new class of macromolecules developed over the last decade1-2 may provide the key to developing reliable and economical fabrication and manufacturing of functional nanoscale materials that would have unique properties (electronic, optical, opto-electronic, magnetic, chemical and biological) that could be the basis of new nanoscale technology and devices

Dendrimers due to their nanoscale size may present interesting pore and void structures for studying the dynamics of confined small systems. For instance, recently, Tomalia and coworkers 3,4 have demonstrated success in encapsulating zero valent metals, metal sulfides and metal oxides inside PAMAM dendrimers. Here, we will describe molecular dynamics simulation and structural analysis of various generation PAMAM dendrimers containing Silver and Copper.

 

References
  1. D.A.Tomalia, A.M. Naylor and W. A. Goddard, III (1990) Angew. Chem. Int. Ed. Engl., Volume 29 No. 2, pages 138-175. Starburst dendrimers: Molecular level control of size, shape, surface chemistry, topology and flexibility from atoms to macroscopic matter
  2. D. A. Tomalia, D. M. Hedstrand and M.S. Ferritto, (1991) Macromolecules, Volume 24, pages 1435-1438. COMBBURST Dendrimer topology: New Macromolecular Architecture derived from dendritic grafting.
  3. L. Balough, D.R. Swanson, R. Spindler and D.A. Tomalia, Proc. Amer. Chem. Soc. Division of Polymeric Materials, Volume 77, September 8-11, 1997, Las Vegas, Nevada. Formation and Characterization of dendrimer based water soluble inorganic nanocomposites.
  4. L. Balough and D.A. Tomalia, unpublished. Dendritic reactors.

*Corresponding Address:
Tahir Cagin, Materials and Process Simulation Center, MS 139-74, California Institute of Technology, Pasadena, CA 91125, Phone: (626) 395-2728, Fax: (626) 395-0918, E-mail: tahir@wag.caltech.edu, Author's web site



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