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Issue 71, 2017
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Nitroimidazolic radiosensitizers investigated by electrospray ionization time-of-flight mass spectrometry and density functional theory

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Abstract

Radiosensitizers are important compounds used in radiotherapy to enhance tumor control of radioresistant hypoxic tumors. Despite their use in biological applications, little is known about the fundamental properties of these compounds. Nevertheless, understanding the ionization reactions of these compounds is crucial in evaluating the potential of radiosensitizers and in developing new and more effective drugs. The present study investigates the positive and negative electrospray ionization and subsequent low-energy collision-induced dissociation reactions of ions derived from 1-methyl-5-nitroimidazole, metronidazole, ronidazole, ornidazole and nimorazole using a hybrid quadrupole time of flight mass spectrometer equipped with an electrospray ionization source (ESI-Q-TOF). Quantum chemical calculations are performed to obtain in addition the proton affinities, deprotonation energies, and electron affinities of the investigated compounds.

Graphical abstract: Nitroimidazolic radiosensitizers investigated by electrospray ionization time-of-flight mass spectrometry and density functional theory

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Publication details

The article was received on 27 Jul 2017, accepted on 15 Sep 2017 and first published on 22 Sep 2017


Article type: Paper
DOI: 10.1039/C7RA08312B
Citation: RSC Adv., 2017,7, 45211-45221
  • Open access: Creative Commons BY-NC license
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    Nitroimidazolic radiosensitizers investigated by electrospray ionization time-of-flight mass spectrometry and density functional theory

    S. Pandeti, L. Feketeová, T. J. Reddy, H. Abdoul-Carime, B. Farizon, M. Farizon and T. D. Märk, RSC Adv., 2017, 7, 45211
    DOI: 10.1039/C7RA08312B

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