title: Possible role of long-range interactions in the proton transfer of model DNA systems.
abstract: The possible role of the long-range interactions has been examined within the semiempirical approach for model doubly stranded DNA systems involving the screw symmetry operation. The interaction energy terms seem to be sensitive to the sequence of base pairs. The essential influence of long-range corrections to the proton transfer potential was found resulting in a remarkably more unsymmetrical energy curve. Only in the case of the singlet excited (n, pi*) electronic state of the A...T base pair, more symmetrical potential is predicted. It is concluded that highly polar sugar-phosphate species are of significant importance for the interaction energy components as well as for related proton transfer processes.
authors.affiliation: Institute of Organic and Physical Chemistry, Wroclaw, Poland.
authors.forename: H
authors.initials: H
authors.lastname: Chojnacki
authors.forename: Z
authors.initials: Z
authors.lastname: Laskowski
mesh_terms: D001482:Base Composition; D004247:DNA; D004563:Electrochemistry; D008956:Models, Chemical; D015394:Molecular Structure; D011522:Protons; D013816:Thermodynamics
chemical_list: D011522:Protons; D004247:DNA