Statistical Mechanics of biological and material systems

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Presentation transcript:

Statistical Mechanics of biological and material systems Thomas M. Truskett Department of Chemical Engineering and Institute for Theoretical Chemistry The University of Texas at Austin Statistical mechanics of biological and complex materials systems Statistical Mechanics of biological and material systems Topics of research include: Protein-protein and protein-surface interactions Soft materials in confined spaces Thermodynamics and structural arrest of simple and complex liquids Current Group Members: Graduate Students Jason Cheung (Tufts) Bill Krekelberg* (Wisconsin-Madison) * co-advised w/ Professor Ganesan Jeetain Mittal (IIT-Kanpur) Post-doctoral Associates Dr. Pooja Shah (IIT – Delhi)

Thomas M. Truskett Selected Publications: Recent News Items: Department of Chemical Engineering and Institute for Theoretical Chemistry The University of Texas at Austin Selected Publications: Ideal glass transitions in thin films: An energy landscape perspective, J. Chem. Phys. 119, 1897-1900, 2003 (w/ V. Ganesan). The Kauzmann paradox revisited, J. Phys. Chem. B 105, 11809-11816, 2001. (w/ F. H. Stillinger and P. G. Debenedetti). Theory of supercooled liquids and glasses: Statistical geometry and energy landscape perspectives, Adv. Chem. Eng. 28, 21-79, 2001 (w/ P. G. Debenedetti, F. H. Stillinger, and C. P. Lewis). Is random close packing of spheres well defined?, Phys. Rev. Lett. 84, 2064-2067, 2000 (w/ S. Torquato and P. G. Debenedetti). Recent News Items: The subtleties of water in small spaces, PNAS, September 2, 2003. No Thaw Flaw in the Third Law, Science, October 5, 2001. Shake and Pack, Nature, March 13, 2000. Unpacking a particle problem, BBC News, March 8, 2000. Random Packing of Spheres, Science News, April 1, 2000.

What are proteins? Chains of amino acids that play a crucial role in all biological processes: growth and differentiation transport and storage coordinate motion mechanical support immune protection signal transmission enzymes Polar Hydrophobic Sequence 3D Structure Biological function

Developing effective protein interactions The single protein problem Heteropolymer collapse Factors affecting folding Sequence (mutations) Temperature Pressure pH Environment (Concentration, Interfaces, etc.) Protein-Protein Interactions Protein-Surface Interactions

How environmental factors affect protein stability The single protein problem Protein solutions Pressure Aggregation Denatured T Liquid Native Crystal Temperature f These systematic studies not possible with brute force methods

Behavior of nano-confined materials Traditional chemical engineering deals with bulk physico-chemical processes. Truskett, PNAS 100 10139(2003). Different physical mechanisms prevail at the nanoscale that necessitate a statistical mechanical description.

Modified properties at the nanoscale Motivation … Thermodynamics of films & confined fluids Effect of confinement on glass transition Tensile strength and mechanical properties of glasses Mittal, Shah, & Truskett, to be submitted to Phys. Rev. E Truskett & Ganesan, J. Chem. Phys. (2003) Shah & Truskett, to be submitted to J. Phys. Chem. B