title: Charge transfer through DNA/DNA duplexes and DNA/RNA hybrids: complex theoretical and experimental studies.
abstract: Oligonucleotides conduct electric charge via various mechanisms and their characterization and understanding is a very important and complicated task. In this work, experimental (temperature dependent steady state fluorescence spectroscopy, time-resolved fluorescence spectroscopy) and theoretical (Density Functional Theory) approaches were combined to study charge transfer processes in short DNA/DNA and RNA/DNA duplexes with virtually equivalent sequences. The experimental results were consistent with the theoretical model - the delocalized nature of HOMO orbitals and holes, base stacking, electronic coupling and conformational flexibility formed the conditions for more effective short distance charge transfer processes in RNA/DNA hybrids. RNA/DNA and DNA/DNA charge transfer properties were strongly connected with temperature affected structural changes of molecular systems - charge transfer could be used as a probe of even tiny changes of molecular structures and settings.
authors: Institute of Physics, Academy of Sciences Czech Republic, v.v.i, Na Slovance 2, CZ-182 21, Prague 8, Czech Republic. Electronic address: krat@fzu.cz.
authors: Irena
authors: I
authors: Kratochvílová
authors: Martin
authors: M
authors: Vala
authors: Martin
authors: M
authors: Weiter
authors: Miroslava
authors: M
authors: Špérová
authors: Bohdan
authors: B
authors: Schneider
authors: Ondřej
authors: O
authors: Páv
authors: Jakub
authors: J
authors: Šebera
authors: Ivan
authors: I
authors: Rosenberg
authors: Vladimír
authors: V
authors: Sychrovský
mesh_terms: D004247:DNA / Q000737:chemistry* / Q000378:metabolism; D008962:Models, Theoretical; D011789:Quantum Theory; D012313:RNA / Q000737:chemistry* / Q000378:metabolism; D013050:Spectrometry, Fluorescence; D013696:Temperature
chemical_list: D012313:RNA; D004247:DNA
keywords: Charge transfer in oligonucleotides; Density Functional Theory; Electronic properties of biomolecules; Temperature dependent steady state fluorescence spectroscopy; Time-resolved fluorescence spectroscopy