Multivalent counterions induced attraction between DNA polyelectrolytes

Abstract

In this paper we study the electrostatic attraction between two parallel rodlike DNA polyelectrolytes induced by neutralizing multivalent counterions at the zero temperature limit. The counterions crystallize on the charged surfaces of DNA so that we can handle the system by using the Wigner crystal lattice model. We derived the 3D ground state configuration of counterions with minimized energy by use of the gradient descent method, and calculated the interaction between two DNA cylinders with divalent or trivalent counterions when they approach. The results show that the complex ground state configuration of counterions plays a key role in determining the caused attraction. The counterions form three-dimensional Wigner crystals on each cylinder at large separation. When the cylinders are brought together, some counterion lines will move towards the inner region and lead to strong attraction. The calculated interaction from our model is in good agreement with the simulation result, however, the single particle approximation considerably overestimates the attraction.