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Shell-dependent photofragmentation dynamics of a heavy-atom-containing bifunctional nitroimidazole radiosensitizer




TekijätPihlava Lassi, Svensson Pamela H.W., Kukk Edwin, Kooser Kuno, De Santis Emiliano, Tõnisoo Arvo, Käämbre Tanel, André Tomas, Akiyama Tomoko, Hessenthaler Lisa, Giehr Flavia, Björneholm Olle, Caleman Carl, Berholts Marta

KustantajaRoyal Society of Chemistry

Julkaisuvuosi2024

JournalPhysical Chemistry Chemical Physics

Lehden akronyymiPhys. Chem. Chem. Phys.

Vuosikerta26

Numero11

Aloitussivu8879

Lopetussivu8890

DOIhttps://doi.org/10.1039/D4CP00367E

Verkko-osoitehttps://pubs.rsc.org/en/content/articlelanding/2024/cp/d4cp00367e

Rinnakkaistallenteen osoitehttps://research.utu.fi/converis/portal/detail/Publication/387284302


Tiivistelmä

Radiation therapy uses ionizing radiation to break chemical bonds in cancer cells, thereby causing DNA damage and leading to cell death. The therapeutic effectiveness can be further increased by making the tumor cells more sensitive to radiation. Here, we investigate the role of the initial halogen atom core hole on the photofragmentation dynamics of 2-bromo-5-iodo-4-nitroimidazole, a potential bifunctional radiosensitizer. Bromine and iodine atoms were included in the molecule to increase the photoionization cross-section of the radiosensitizer at higher photon energies. The fragmentation dynamics of the molecule was studied experimentally in the gas phase using photoelectron–photoion–photoion coincidence spectroscopy and computationally using Born–Oppenheimer molecular dynamics. We observed significant changes between shallow core (I 4d, Br 3d) and deep core (I 3d) ionization in fragment formation and their kinetic energies. Despite the fact, that the ions ejected after deep core ionization have higher kinetic energies, we show that in a cellular environment, the ion spread is not much larger, keeping the damage well-localized.


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Last updated on 2024-26-11 at 23:53