Instytut Podstawowych Problemów Techniki

Streszczenie:

The multiple expansion method was applied for calculating friction tensors and hydrodynamic radii RH of rigid molecules of various shape, composed of ns equal sized, touching spheres. The maximum value of ns studied was 450, which covers most situations met in practice. Calculations were performed for linear chains, half-circles, circles (cyclic molecules) and S-shaped aggregates. It was shown that our results agreed with previous theoretical data obtained for linear chains and cyclic aggregates, for ns < 100. For larger ns, studied exclusively in our work, interpolating analytical expressions were formulated for the hydrodynamic radii RH. These expressions, involving logarithmic function of the aspect ratio parameter (length to width ratio of the macromolecules), are the main finding of our work. Using these expressions, the ratio of the hydrodynamic radius of cyclic-to-linear aggregate qf was calculated, which is a parameter of vital significance. It was determined that qf attained values close to 0.95 for ns ∼450. This suggests that the previous analytical results derived by Tchen [19], in the slender body limit, who predicted that qf → 12/11 = 1.09, are not applicable for ns < 450. Using the RH values, the average translation diffusion coefficients and the sedimentation coefficients for these aggregate shapes were calculated. It was shown that our theoretical results are in good agreement with experimental data obtained for polyelectrolytes and for DNA fragments of various molecular mass. It was concluded that our results can be effectively used to determine the shape of macromolecules, in particular to discriminate between linear and cyclic DNA configurations.

Słowa kluczowe:

Aggregates of particles of various shapes, Bead model of particle aggregates, Diffusion coefficients of particle aggregates, DNA bead model of, DNA fragment hydrodynamic radii, Hydrodynamic radius of aggregates, Linear chain aggregates, Sedimentation coefficients of aggregates and macromolecules

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