ArticleInternational journal of molecular sciences2026
From Monomers to Aggregates: The Influence of Redox State and Structure on the First Excited States of Eumelanin and Pheomelanin.
Article in International journal of molecular sciences, 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
Melanin pigments protect human tissues from ultraviolet and visible radiation, yet their phototoxic potential increases with oxidative degradation. This computational study investigates how the oxidation state influences the first excited states of eu- and pheomelanin using molecular models of varying complexity (monomers to tetramers, both covalently and non-covalently bonded). First, vertical and adiabatic electronic transitions were computed, and supramolecular interactions were characterized with the ETS-NOCV method. In eumelanin, oxidation drastically lowers the first triplet-state (T
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