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Theory of ionic effects on intermolecular interactions in polyions: Application to ethidium binding to DNA
Author(s) -
Rein Robert,
KieberEmmons Thomas
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160734
Subject(s) - polyelectrolyte , chemical physics , ionic bonding , intramolecular force , intermolecular force , macromolecule , chemistry , counterion , computational chemistry , intercalation (chemistry) , dna , static electricity , electrostatics , ion , polymer , molecule , stereochemistry , physics , quantum mechanics , organic chemistry , biochemistry
Abstract A macromolecular association scheme is presented whereby a unification of macromolecular interaction and polyelectrolyte theories is developed facilitating an understanding of ion effects on polyelectrolyte transitions. The theory follows the Debye‐Hückel‐Manning treatment for calculating the difference in net fractional charge associated with a polyelectrolyte undergoing a transition. This fractional charge is used to calculate the intramolecular electrostatic energy which is associated with counterion release. This theory is applied to the intercalation of the ethidium cation into DNA. These preliminary results suggest that the theory should contribute to an understanding of the subtleties involved in electrostatic interactions with DNA and should prove to be an asset in the development of therapeutic drug effectiveness and specificity under physiological (salt) conditions.