Computational study reveals CH alkenylation mechanisms in naphthoquinones, suggesting new designs for Trypanosoma cruzi treatments.
The Front Cover image highlights a computational study of the Ru(II)-catalyzed C–H alkenylation of menadione with ethenesulfonyl fluoride, enabling SuFEx functionalization of quinones. Density functional benchmarking against DLPNO-CCSD(T) establishes a robust mechanistic picture and supports the rational design of naphthoquinone derivatives targeting Trypanosoma cruzi. More details are available in the Research Article by Felipe Fantuzzi and co-workers (DOI: 10.1002/open.202500465).
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Paz et al. (2026) studied this question.
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