title: DNA HOMO as a new landmark for nucleic acid properties. ab initio calculations and experimental mapping.
abstract: Of the non-covalent binding forces in DNA-drug or DNA-protein interaction, electrostatic interaction, stacking interaction, hydrogen bonds and hydrophobic effect have been well established. However, only a few HOMO-LUMO interaction in DNA have been reported. We examined the ab initio calculations of B-DNA duplex 5-mers. Based on the calculated results, we investigated the mapping of HOMO experimentally and found that DNA cleavage patterns with Co(II) and BPO (Benzoyl peroxide) were in good agreement with the ab initio calculation results.
authors.affiliation: Department of Synthetic Chemistry and Biological Chemistry, Faculty of Engineering, Kyoto University, Japan.
authors.forename: T
authors.initials: T
authors.lastname: Nakamura
authors.forename: K
authors.initials: K
authors.lastname: Nakatani
authors.forename: I
authors.initials: I
authors.lastname: Saito
mesh_terms: D001483:Base Sequence; D002625:Chemistry, Organic / Q000379:methods; D004247:DNA / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D009838:Oligodeoxyribonucleotides / Q000737:chemistry*; D055672:Static Electricity
chemical_list: D009838:Oligodeoxyribonucleotides; D004247:DNA