Decomposition of nitroimidazole ions: experiment and theory
Linda Feketeova, Johannes Postler, Athanasios Zavras, Paul Scheier, Stephan Denifl, Richard AJ O'Hair
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | ROYAL SOC CHEMISTRY | Published : 2015
Nitroimidazoles are important compounds with chemotherapeutic applications as antibacterial drugs or as radiosensitizers in radiotherapy. Despite their use in biological applications, little is known about the fundamental properties of these compounds. Understanding the ionization reactions of these compounds is crucial in evaluating the radiosensitization potential and in developing new and more effective drugs. Thus, the present study investigates the decomposition of negative and positive ions of 2-nitroimidazole and 4(5)-nitroimidazole using low- and high-energy Collision-Induced Dissociation (CID) and Electron-Induced Dissociation (EID) by two different mass spectrometry techniques and ..View full abstract
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Awarded by Austrian Science Fund FWF
Awarded by Austrian Science Fund (FWF)
LF and RAJO thank the ARC for financial support via the ARC Centre of Excellence in Free Radical Chemistry and Biotechnology. LF thanks the ARC for the award of an APD. We acknowledge: an ARC Lief grant and funding from the Victorian Institute for Chemical Sciences for the purchase of the LTQ-FT mass spectrometer; generous grants of computer time (to LF) from The Melbourne University High Performance Computing cluster Edward. This work was partially supported by the Austrian Science Fund FWF (P22665, P26635).