Abstract
In this work the effect of aggregation and oxidation on the optical absorption of eumelanin oligomeric sheets is investigated by applying quantum mechanics and atomistic simulation studies to a simplified eumelanin structural model that includes 1-3 sheets of hexameric oligomer sheets. The oligomeric hypothesis is supported by AFM characterizations of synthetic eumelanins, formed by auto-oxidation or electrochemical oxidation of dihydroxyindole (DHI). Comparison of calculated absorption spectra to experimental spectra demonstrates a red shift in absorption with oxidation and stacking of the eumelanin and validates the theoretical results.
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