TY  - JOUR
A1  - Schuermann, Robin
A1  - Tanzer, Katrin
A1  - Dabkowska, Iwona
A1  - Denifl, Stephan
A1  - Bald, Ilko
T1  - Stability of the Parent Anion of the Potential Radiosensitizer 8-Bromoadenine Formed by Low-Energy (< 3 eV) Electron Attachment
T2  - The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry
N2  - 8-Bromoadenine ((8Br)A) is a potential DNA radiosensitizer for cancer radiation therapy due to its efficient interaction with low-energy electrons (LEEs). LEEs are a short-living species generated during the radiation damage of DNA by high-energy radiation as it is applied in cancer radiation therapy. Electron attachment to (8Br)A in the gas phase results in a stable parent anion below 3 eV electron energy in addition to fragmentation products formed by resonant exocyclic bond cleavages. Density functional theory (DFT) calculations of the (8Br)A(-) anion reveal an exotic bond between the bromine and the C8 atom with a bond length of 2.6 angstrom, where the majority of the charge is located on bromine and the spin is mainly located on the C8 atom. The detailed understanding of such long-lived anionic states of nucleobase analogues supports the rational development of new therapeutic agents, in which the enhancement of dissociative electron transfer to the DNA backbone is critical to induce DNA strand breaks in cancerous tissue.
Y1  - 2017
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/46586
SN  - 1520-6106
VL  - 121
SP  - 5730
EP  - 5734
PB  - American Chemical Society
CY  - Washington
ER  -