ArticleChemical science2026
Towards next generation enzyme mimics through local electric field control in organic cage catalysts.
Article in Chemical science, 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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3 authors.
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Abstract
Electric fields (EFs) can, in principle, accelerate chemical reactions by preferentially stabilising charge distribution in transition states. In practice, strategies for aligning tuneable EFs across reaction sites in artificial molecular systems remain scarce. Here, using modelling, we establish the potential of dipolar supramolecular cavities as an approach to quantify and optimise solution-phase EF catalysis. By positioning pairs of charged substituents on a cage catalyst exterior, we align tuneable, oriented, local fields with reaction dipoles without introducing through-bond effects. We introduce a finite capacitor model to evaluate EFs in dipolar cavities and show cavities of 1 nm can generate EF strengths comparable to enzymes (∼0.2 V Å
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