Fig. 3: Molecular dynamics simulation, cryo-TEM images, and 2D phosphorescence spectra of SNI/amino acids/H2O systems.

Molecular simulation snapshots of SNI in water and after addition of Leu (a), Ile (b), and Glu (c) at 240 K. A locally enlarged surface potential model after adding Leu (d), Ile (e), and Glu (f) to SNI aqueous solution at 240 K, describing the interaction distance between amino acids and probes (Water molecules have been hidden). Cryo-TEM images of SNI in water and after addition of Leu (g), Ile (h), and Glu (i) at 77 K. [SNI] = 7 × 10-⁵ M, [amino acids] = 166.8 mM. The 2D excitation-emission-intensity phosphorescence spectra acquired at 77 K after adding Leu (j), Ile (k), and Glu (l) to SNI aqueous solution. [SNI] = 7 × 10⁻⁵ M, [amino acids] = 55.6 mM, delay time = 3 ms.