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Biomedical subjects

Roland G Winkler

Publications and source records attributed to Roland G Winkler.

5 recordsLinked to original sources

Semiflexible polymers in shear flow.

The dynamics of semiflexible polymers under the influence of shear flow is studied analytically. Power laws are derived for various conformational and dynamical quantities which are in agreement with experimental findings. In particular, the tumbling motion is analyzed and expressions are provided for the probability distributions of the orientation angles and the tumbling time. The calculations explain the similarities in the behavior of flexible and semiflexible polymers as well as free-draining and nondraining systems.

Biophysics↗

Critical adsorption of polyelectrolytes onto charged spherical colloids.

The adsorption of a flexible polyelectrolyte in a salt solution onto an oppositely charged spherical surface is investigated. An analytical solution is derived, which is valid for any sphere radius and consistently recovers the result of a planar surface in the limit of large sphere radii, by substituting the Debye-Hückel potential via the Hulthén potential. Expressions for critical quantities such as the critical radius and the critical surface charge density are provide. A comparison of our theoretical results with experiments and computer simulations yields remarkable good agreement.

Journal Article↗

Simple model for overcharging of a sphere by a wrapped oppositely charged asymmetrically neutralized polyelectrolyte: Possible effects of helical charge distribution.

We investigate the complexation of a polyelectrolyte bendable rod with an oppositely charged spherical macroion. We take into account electrostatic bending of the rod and its asymmetric charge neutralization by sphere charges. The spontaneous curvature of the rod toward the sphere results in a substantial overcharging of such polyelectrolyte complex with a possible phase transition. Assuming a discrete helical charge distribution on the rod surface, we calculate the electrostatic energy of the helix and the electrostatic contribution to its bending and twisting elasticity. We show that the latter may change sign when the helical pitch is changed. For a DNA-relevant case, these corrections appear to be small compared to the corresponding mechanical elastic moduli. We discuss possible applications of our results to the description of overcharging of the nucleosome core particles.

Biophysics↗

Complexation of semiflexible chains with oppositely charged cylinder.

We study the complexation of long thin semiflexible polymer chains with an oppositely charged cylinder. Starting from the linear Poisson-Boltzmann equation, we calculate the electrostatic potential and the energy of such a charge distribution. We find that sufficiently flexible chains prefer to wrap around the cylinder in a helical manner, when their charge density is smaller than that of the cylinder. The optimal value of the helical pitch is found by minimization of the sum of electrostatic and bending energies. The dependence of the pitch on the number of chains, their rigidity, and salt concentration in solution is analyzed. We discuss our results in the light of recent experiments on DNA complexation with cylindrical dendronized polymers.

Computer Simulation↗

Complex formation in systems of oppositely charged polyelectrolytes: a molecular dynamics simulation study.

Results of molecular dynamics simulations for systems with two flexible, oppositely charged polymer chains are presented. The lengths N and interaction strength lambda of the chains are varied. We find that the chains remain separated for small values of lambda. For large interaction strengths, i.e., large Bjerrum lengths, we find glasslike structures and order on the length scale of a few monomer diameters. Between these two limits of the interaction strengths, the chains of various lengths collapse into compact complexes that exhibit self-similar structures. The scaling behavior of the radius of gyration is discussed as a function of chain length and interaction strength. In addition, the local structure of the collapsed systems is analyzed and the dependence of the density of the aggregate on the interaction strength is discussed.

Journal Article↗