Figure 1
From: Near-Infrared Fluorescent pH Responsive Probe for Targeted Photodynamic Cancer Therapy
(A) Vis-NIR spectra of I2-IR783-Mpip and proposed structures of I2-IR783-Mpip in different pH (3.0–12.0). (B) Equilibrium structures of I2-IR783-Mpip-1, I2-IR783-Mpip0 and I2-IR783-Mpip+1 obtained from DFT/6-311 G geometry optimizations in the COSMO phase, dielectric environment 78. The values of the HOMO and LUMO isosurfaces are 0.025.
