Cherstvy Andrey G, Winkler Roland G
Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany.
J Phys Chem B. 2005 Feb 24;109(7):2962-9. doi: 10.1021/jp0462299.
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.
我们研究了一种聚电解质可弯曲棒与带相反电荷的球形大离子的络合作用。我们考虑了棒的静电弯曲及其被球体电荷的不对称电荷中和。棒向球体的自发曲率导致这种聚电解质复合物大量超荷,可能发生相变。假设棒表面存在离散的螺旋电荷分布,我们计算了螺旋的静电能及其对弯曲和扭转弹性的静电贡献。我们表明,当螺旋螺距改变时,后者可能会改变符号。对于与DNA相关的情况,与相应的机械弹性模量相比,这些修正似乎很小。我们讨论了我们的结果在描述核小体核心颗粒超荷方面的可能应用。