Chelation of iron(II) ions by ellagitannins-Effects of hexahydroxydiphenoyl and nonahydroxytriphenoyl groups.

Tannins represent secondary plant metabolites that are used to control bacterial populations by chelation of essential metal ions. Their presence in food also affects the bioavailability of iron. This study investigates the influence of ellagitannins (vescalin, castalin, vescalagin, castalagin) structure and pH on the stoichiometry and formation constants of ellagitannin-Fe(II) coordination compounds. We demonstrated that ellagitannins are stable for at least one hour at pH values lower than 7.25. The spectra of neutral compounds were measured and explained with the help of TDDFT calculations. Furthermore, the pH-dependence of the ellagitannins UV-Vis spectra was examined to obtain insight into their protolytic equilibrium. Using Job's method in the pH range 3.50-5.51, the stoichiometry of the formed ellagitannin-Fe(II) ions complexes was determined. A model explaining interactions between ellagitannins and Fe(II) ions, that took into account the protolytic equilibrium of ellagitannins, was fitted globally to all four Job plots, whereby the corresponding formation constants were obtained.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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