ArticleThe journal of physical chemistry. B2026
Dissociative Electron Attachment to 8-(Trifluoromethyl)thioadenine: A Potential Radiosensitizer.
Article in The journal of physical chemistry. B, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The development of new biological radiosensitizers has primarily focused on halogenated uracil-based derivatives such as 5-bromo-2'-deoxyuridine, and more recently, 5-iodo-4-thio-2'-deoxyuridine or 5-thiocyanato-2'-deoxyuridine. However, further modifications of the uracil/uridine ring are limited due to challenges related to synthesis and stability. In this study, we investigate dissociative electron attachment (DEA) to 8-(trifluoromethyl)thioadenine (ASCF3), proposing a new potential purine-based radiosensitizer for cancer cells. This is explored using a crossed electron-molecule beam (CEMB) experiment and stationary radiolysis in an aqueous environment. To support our findings, we combined experimental results with theoretical calculations employing DFT methods to analyze the energy threshold and DEA profiles. The most abundant anion observed in the CEMB experiments corresponds to [ASCF3-CF3]-, whereas the radiolytic study reveals that the novel derivative undergoes a single decomposition channel in aqueous solution, yielding a cyclic [ASCF3-HF] species. These findings highlight that disregarding the influence of water in cellular processes may lead to erroneous mechanistic conclusions.
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