title: Modulation of Excess Electron Transfer through LUMO Gradients in DNA Containing Phenanthrenyl Base Surrogates.
abstract: The modulation of excess electron transfer (EET) within DNA containing a dimethylaminopyrene (C-AP) as an electron donor and 5-bromouracil (BrdU) as an electron acceptor through phenanthrenyl pairs (phen-R) could be achieved by modifying the phenanthrenyl base surrogates with electron withdrawing and donating groups. Arranging the phenanthrenyl units to form a descending LUMO gradient increased the EET efficiency compared to the electron transfer through uniform LUMOs or an ascending LUMO gradient.
authors.affiliation: Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, 3012, Bern, Switzerland.
authors.forename: Pascal
authors.initials: P
authors.lastname: Roethlisberger
authors.affiliation: Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, 3012, Bern, Switzerland.
authors.forename: Veerabhadrarao
authors.initials: V
authors.lastname: Kaliginediand
authors.affiliation: Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, 3012, Bern, Switzerland.
authors.forename: Christian J
authors.identifier: http://orcid.org/0000-0002-7996-7083
authors.initials: CJ
authors.lastname: Leumann
mesh_terms: D001976:Bromouracil / Q000737:chemistry; D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry* / Q000378:metabolism; D004579:Electron Transport; D004583:Electrons; D009841:Oligonucleotides / Q000737:chemistry; D011789:Quantum Theory
chemical_list: D009841:Oligonucleotides; D001976:Bromouracil; D004247:DNA
keywords: electron transfer; oligonucleotides; phenanthrene; stacking interactions