Gas-phase normal mode analyses, that have been used to study the frequencies and amplitudes of collective motions in macromolecules, have been generalized to the liquid phase where frictional forces play a important role. Within the framework of the Langevin equation, the problem has been reduced to solving an eigenvalue equation involving supermatrix constructed from the force constant and friction matrices and computationally convenient expressions have been obtained for the relevant experimentally accessible correlation functions. Preliminary calculations indicate that this approach provides a viable means of determining the influence of solvent on the dynamics of collective motions in macromolecules. The transient electric birefringence (TEB) of polyelectrolytes such as DNA, reflects not only the rotational motion of the macroions but also the dynamics of the surrounding ion atmosphere. By correctly treating the coupling between the rotational and counterion dynamics, rigorous expressions for the TEB when an external electric fields is turned on, reversed or oscillates were obtained and used to successfully analyze recent experimental data on short DNA restriction fragments. The theory of the current to microelectrodes with band and ring geometries has been developed and applied to the analysis of electrochemical measurements using such devices.

Project Start
Project End
Budget Start
Budget End
Support Year
8
Fiscal Year
1987
Total Cost
Indirect Cost
Name
U.S. National Inst Diabetes/Digst/Kidney
Department
Type
DUNS #
City
State
Country
United States
Zip Code
Berezhkovskii, Alexander; Hummer, Gerhard; Szabo, Attila (2009) Reactive flux and folding pathways in network models of coarse-grained protein dynamics. J Chem Phys 130:205102
Gopich, Irina V; Nettels, Daniel; Schuler, Benjamin et al. (2009) Protein dynamics from single-molecule fluorescence intensity correlation functions. J Chem Phys 131:095102
Bezrukov, Sergey M; Berezhkovskii, Alexander M; Szabo, Attila (2007) Diffusion model of solute dynamics in a membrane channel: mapping onto the two-site model and optimizing the flux. J Chem Phys 127:115101
Dudko, Olga K; Mathe, Jerome; Szabo, Attila et al. (2007) Extracting kinetics from single-molecule force spectroscopy: nanopore unzipping of DNA hairpins. Biophys J 92:4188-95
Berezhkovskii, Alexander; Szabo, Attila (2006) Perturbation theory of Phi-value analysis of two-state protein folding: relation between p fold and Phi values. J Chem Phys 125:104902
Dudko, Olga K; Hummer, Gerhard; Szabo, Attila (2006) Intrinsic rates and activation free energies from single-molecule pulling experiments. Phys Rev Lett 96:108101
Gopich, Irina; Szabo, Attila (2005) Fluorophore-quencher distance correlation functions from single-molecule photon arrival trajectories. J Phys Chem B 109:6845-8
Berezhkovskii, Alexander; Szabo, Attila (2005) One-dimensional reaction coordinates for diffusive activated rate processes in many dimensions. J Chem Phys 122:14503
Gopich, Irina V; Szabo, Attila (2005) Photon counting histograms for diffusing fluorophores. J Phys Chem B 109:17683-8
Gopich, Irina; Szabo, Attila (2005) Theory of photon statistics in single-molecule Forster resonance energy transfer. J Chem Phys 122:14707

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