Supplementary Material for "Hydration- and Temperature-Dependent Fluorescence Spectra of Laurdan Conformers in a DPPC Membrane"

This file contains the supplementary material for the "Hydration- and Temperature-Dependent Fluorescence Spectra of Laurdan Conformers in a DPPC Membrane" aricle, doi: 10.3390/cells13151232. It includes Figure S1: angle of the Laurdan TDM with the z-axis; Figure S2: Distributions of the angles of the transition state dipole moment; Figure S3: Comparison between the orientations of the tdm with respect to the z-axis; Figure S4: Distribution of the position of the N- and O-atoms in the headgroup of Laurdan excited in the S1 state; Figure S5: Distribution of the DPPC membrane at different temperatures; Figure S6: Distance of the density maxima of the N- and O-atoms in the head group of Laurdan; Figure S7: Distribution of the dihedral angles of Laurdan; Figure S8: Density distribution of the head group of Laurdan; Figure S9: Radial distribution functions of water; Figure S10: Hydrogen bonds; Figures S11 and S12: Cumulative solvent orientation; Figure S13: Depiction of the angle θ; Figure S14: Comparison between the APLs for the membranes; Figure S15: Representative snapshots of the position of the two conformers of Laurdan; Figure S16: Representative snapshots of the DPPC membrane; Figure S17: Fluorescence spectra of Laurdan; Figure S18: Evolution of the max and averaged emission; Figure S19: Experimentally obtained emission decay curves; Figure S20: simulation of the time resolved anisotropy; Table S1: Number of hydrogen bonds; Table S2: Averaged area per DPPC lipid; Table S3: Averaged thickness of the membrane; Table S4: Detailed analysis of the transitions; Table S5: Fitted time constants and coefficients for the anistropy decay. This entry supplements: S. Knippenberg,* K. De, C. Aisenbrey, B. Bechinger, S. Osella,* “Hydration-temperature dependent fluorescence spectra of Laurdan conformers in a DPPC membrane” Cells 2024, 13, 1232 (Special Issue: Advances in Biophysics of Cellular Membranes).