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000639380 1001_ $$0P:(DE-H253)PIP1095501$$aSvensson, Pamela H. W.$$b0$$eCorresponding author
000639380 245__ $$aUnlocking atom-specific radiotherapy – DNA backbone breakage caused by X-ray photoactivation
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000639380 520__ $$aThe effectiveness of radiation therapy can be enhanced by understanding the fragmentation mechanisms of iodine-doped DNA oligonucleotide under tender X-rays, as explored experimentally and computationally in our study. By primarily targeting iodine atoms above their L-edge ionization energies, we observed a significant increase in the production of fragments critical to DNA backbone breakage, particularly within mass ranges associated with phosphate and sugar groups. The mass spectroscopy experiments demonstrated that iodine-doped DNA oligonucleotides undergo intense fragmentation at long distances from the initial photoactivation site. Born–Oppenheimer based molecular dynamics simulations confirmed the generation of numerous small fragments, including reactive oxygen species, which are pivotal in enhancing the radiation damage. These findings highlight the effectiveness of iodine doping in amplifying DNA damage in radiotherapy via iodine photoactivation, thereby improving the potential for targeted cancer treatment.
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000639380 7001_ $$00009-0000-2509-8604$$aRydgren, Brian$$b1
000639380 7001_ $$0P:(DE-H253)PIP1033236$$aSchwob, Lucas$$b2
000639380 7001_ $$0P:(DE-H253)PIP1095434$$aBerholts, Marta$$b3
000639380 7001_ $$0P:(DE-H253)PIP1090639$$aStenerlöw, Bo$$b4
000639380 7001_ $$00000-0002-6440-1909$$aHocine Hafiani, Ouassim$$b5
000639380 7001_ $$aAndré, Tomas$$b6
000639380 7001_ $$0P:(DE-H253)PIP1099458$$aGrånäs, Oscar$$b7
000639380 7001_ $$0P:(DE-H253)PIP1008264$$aTimneanu, Nicusor$$b8
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000639380 7001_ $$0P:(DE-H253)PIP1101859$$aNair, Aarathi$$b10
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000639380 7001_ $$0P:(DE-H253)PIP1011740$$aCaleman, Carl$$b15$$eCorresponding author
000639380 773__ $$0PERI:(DE-600)2559110-1$$a10.1039/D5SC03414K$$gp. 10.1039.D5SC03414K$$n41$$p19235 - 19243$$tChemical science$$v16$$x2041-6520$$y2025
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