20.500.12556/DKUM-96917 Model for the description of interactions between ellagitannins and Fe(II) ions A growing problem in agriculture is the increasing resistance of bacteria to antibiotics used in animal feed. The strong antibacterial activity of tannins, plant polyphenols that can chelate metal ions, makes them one of the potential antibiotic substitutes. The present study investigates the chelation of Fe(II) ions by roburins A and D, ellagitannins isolated from aqueous chestnut wood extract, which is currently used as an antibacterial additive in animal feed. A combination of previously determined stoichiometries and the microscopic protolytic equilibrium of ellagitannins enabled the development of a model describing the contribution of the structural elements NHTP and HHDP to Fe(II) chelation. The parameters obtained from the fit to the experimental Job plots were used to calculate the model Job curves for the roburins. The good agreement between the experimental and model curves confirms the suitability of the model and shows its predictive power in determining the binding stoichiometries and the degree of Fe(II) chelation. ellagitannins Fe(II) ions chelation UV-Vis spectroscopy Job’s method chelation mechanism model fitting elagitanini spektroskopija true false true Nature Publishing Group Angleški jezik Slovenski jezik https://www.nature.com/srep/ © The Author(s) 2026. Članek v reviji 2026-02-02 14:13:27 2026-02-02 14:13:28 2026-07-18 03:13:00 0000-00-00 00:00:00 2026 0 0 17 str. 29 Jan. 2026 0000-00-00 Zaloznikova Objavljeno NiDoloceno 2025-08-19 2026-01-23 2026-01-29 54 266769923 10.1038/s41598-026-37616-6 2045-2322 s41598-026-37616-6_(1).pdf s41598-026-37616-6_(1).pdf 1 BF7F5F9C526AF034C8A560699AD93E57 05cdc70c2601d023a65f330823833446a8370db56ac0775cbee80cfc144a45e2 f5c0bd01-81be-11f1-a6d3-00155d580e34 https://dk.um.si/Dokument.php?lang=slv&id=208360 https://www.nature.com/articles/s41598-026-37616-6 0 896c0e75-2cf7-11f1-b3ef-00155d0001a1 https://dk.um.si/Dokument.php?lang=slv&id=204935 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0