Proton-Transfer-Induced Fluorescence in Self-Assembled Short Peptides.

We employ molecular dynamics (MD) and time-dependent density functional theory (TDDFT) to explore the fluorescence of hydrogen-bonded dimer and trimer structures of cyclic FF (Phe-Phe) molecules. We show that in some of these configurations a photon can induce either an intra-molecular proton transfer, or an inter-molecular proton transfer that can occur in the excited S1 and S2 states. This proton transfer, taking place within the hydrogen bond, leads to a significant red-shift that can explain the experimentally observed visible fluorescence in biological and bioinspired peptide nanostructures with a ß-sheet biomolecular arrangement. Finally, we also show that such proton transfer is highly sensitive to the geometrical bonding of the dimers and trimers and that it occurs only in specific configurations allowed by the formation of hydrogen bonds.

Effect of geometry on the classical entanglement in a chaotic optical fiber.

The effect of boundary deformation on the classical entanglement which appears in the classical electromagnetic field is considered. A chaotic billiard geometry is used to explore the influence of the mechanical modification of the optical fiber cross-sectional geometry on the production of classical entanglement within the electromagnetic fields. For the experimental realization of our idea, we propose an optical fiber with a cross section that belongs to the family of Robnik chaotic billiards. Our results show that a modification of the fiber geometry from a regular to a chaotic regime can enhance the transverse mode classical entanglement.