Education: Two graduate students Venkat Panchagnula (Chemistry Department)

1. Theory and Computer Simulations of Polyelectrolyte-Polyampholyte ComplexesAndrey Dobrynin, University of Connecticut, DMR-0305203 Snapshot from simulations of protein-DNA complex at pH=7 and the ionic strength I=0.01M. Positive charged residues are shown by red beads, negatively charged ones – by blue beads, neutral ones – by yellow beads, and a-carbons are shown as green beads. The molecular models of polyampholyte-polyelectrolyte complexes will have far-reaching consequences in the bio-medical area, and in the areas utilizing charged macromolecules as rheology modifiers. For example, protein-polyelectrolyte complexes control the rheology and lubrication properties of synovial fluid. A pragmatic industrial use of protein-polyelectrolyte complexes is to use polyelectrolytes to boost the viscosity of protein solution for coating photographic film and paper. Here we present molecular dynamics simulations of complexation between protein and DNA and dynamics of aggregation in solutions of polyelectrolyte and polyampholyte macromolecules. Dynamics of aggregation in solutions of polyelectrolyte and polyampholyte macromolecules. Polyelectrolytes (negatively charged) are shown by chains consisting of green beads, polyampholytes – by chains of red (positively charged) and blue (negatively charged) beads.

2. Theory and Computer Simulations of Polyelectrolyte-Polyampholyte ComplexesAndrey Dobrynin, University of Connecticut, DMR-0305203 Outreach: During the summer PI and graduate student Venkat Panchagnula have advised two high school students Joshua Blum and David Riordan Joshua Blum and David Riordan are preparing for presentation of their research at student conference at Uconn. Education: Two graduate students Venkat Panchagnula (Chemistry Department) Juhn Hwan Jeon (Polymer Program) are currently involved in the research project. Juhn Hwan Jeon received a summer fellowship from Materials Institute at LLNL. PI is developing the PowerPoint based course of lectures on polymer physics http://www.ims.uconn.edu/~avd This is an “open source” course that is available for download and use in classroom teaching of polymer physics oriented courses.