Electron-induced reactions in 3-bromo-pyruvic acid.

Electron-induced reactions in 3-bromo-pyruvic acid. Chemistry. 2019 Feb 01;: Authors: Ferreira da Silva F, Varella MTDN, Jones NC, Hoffmann SV, Denifl S, Bald I, Kopyra J Abstract 3-Bromopyruvic acid (3BP) is a potential anti-cancer drug, whose action on the cellular metabolism is not entirely clear so far. The presence of a bromine atom suggests that it is also reactive towards low-energy electrons, which are produced in large quantities during tumour radiation therapy. A detailed knowledge of the interaction of 3BP with secondary electrons is a prerequisite to gain a complete picture of the effects of 3BP in different forms of cancer therapy. Here, we studied dissociative electron attachment (DEA) to 3BP in the gas phase both experimentally using a crossed beam setup and theoretically using scattering and quantum chemical calculations. These results are complemented by a VUV absorption spectrum. The main fragmentation channel is formation of Br- close to 0 eV and within several resonant features at 1.9 eV and at 3 - 8 eV. At low electron energies Br- formation proceeds through a σ* and a π* shape resonance, respectively, and at higher energies through core-excited resonances. We find that the electron capture cross section is clearly increased compared to the non-brominated pyruvic acid, but at the same time fragmentation reactions through DEA are significantly altered as well. The 3BP transient negative ion is subject to a lower...
Source: Chemistry - Category: Chemistry Authors: Tags: Chemistry Source Type: research