Fig. 2: The S1 → S0 relaxation can be delayed by stiffening the decay pathway modes.
From: The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter
A shows the S1 − S0 energy difference for a selected L-glu trajectory evolving freely without constraints. B–D shows the S1 − S0 energy difference for the same L-glu trajectory evolving in presence (orange curve) and in absence (gray curve) of a harmonic constraint on the CO distance B, the PT coordinate computed as dO-H − dN-H C or the amide bond plane D. E shows a bar chart indicating the percentual reduction of the displacements in the PT coordinate, CO distance and amide plane degrees of freedom as a result of the constraints applied in panels B–D respectively (see methods section). Upon application of the constraints labeled in the horizontal axis, the vertical bars show the percentual reduction in the CO (orange bar), PT coordinate (gray bar) and amide plane (green bar) DoF displacement.
