Theoretical Study of Cyanidin-Resveratrol Copigmentation by the Functional Density Theory.

Anthocyanins are colored water-soluble plant pigments. Upon consumption, anthocyanins are quickly absorbed and can penetrate the blood-brain barrier (BBB). Research based on population studies suggests that including anthocyanin-rich sources in the diet lowers the risk of neurodegenerative diseases.

Stochastic Nature and Intramolecular Coupling in Optical Response Profiles: Critical Analysis through Semiclassical Models.

We have studied the nonlinear absorptive and dispersive responses considering a molecular system consisting of two-levels, where aspects of the vibrational internal structure and intramolecular coupling are inserted, in addition to the considerations of interaction with the thermal reservoir. The Born-Oppenheimer electronic energy curve for this molecular model consists of two-intercrossing harmonic oscillator potentials with minima displaced in energy and nuclear coordinate. The results obtained show how these optical responses are sensitive to explicit considerations of both intramolecular coupling and the presence of the solvent through their stochastic interaction.