Additional file 1 of Highly stable organic photothermal agent based on near-infrared-II fluorophores for tumor treatment
Creators: name: Xu, Yunjian
name: Wang, Shiqi
name: Chen, Zhenjiang
name: Hu, Rui
name: Li, Shaoqiang
name: Zhao, Yihua
name: Liu, Liwei
name: Qu, Junle
Publisher: name: figshare
Year: 2021
Subjects: subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Cancer

description: Additional file 1: Scheme S1. Synthetic routs and chemical structures of NIR-II dyes, respectively. Fig. S1. UV−vis absorption spectra of (a) NIR998, (b) NIR1028, (c) NIR980, (d) NIR1030 and (e) NIR1028-S in different solvents, respectively. The absorption intensity has been normalized. Fig. S2. Absorption spectra of NIR-II dyes and commercial dyes (ICG and S1451) in DMSO before and after irradiation of 808 nm at 0.2 W cm−2 for 10 min, respectively. Fig. S3. (a) UV–vis absorption spectra and (b) the absorption at 859 nm of NIR998 with various concentrations in DMSO, respectively. Fig. S4. (a) The transmission electron microscopy photos and (b) dynamic light scattering results of NIR998 (10-5 M) in PBS (pH = 7.4). Fig. S5. (a), (b), (c), (d) are dynamic light scattering results of NIR998 (10-5 M) in PBS (pH = 7.4) during half a month, respectively. Fig. S6. (a) Concentrations (808 nm, 6 min) and (b) light power dependent (20 μM) temperature rise of NIR998 NPs in PBS (pH = 7.4) in different time, respectively. (c) and (e) are temperature change of NIR998 NPs (20 μM) solutions and PBS (pH = 7.4) under irradiation (808 nm, 0.5 W cm−2), respectively. After the temperature reached to plateau, light irradiation was stopped. (d) and (f) are time constants of NIR998 NPs (20 μM) solutions and PBS (pH = 7.4) for acquiring photothermal conversion of NIR998 NPs, respectively. Fig. S7. Photoacoustic intensity of NIR998 NPs with various concentrations in PBS (pH = 7.4). Inset: photoacoustic intensity images of NIR998 NPs with various concentrations in PBS (pH = 7.4) (λEx = 808 nm).  Fig. S8. (a) and (b) are photothermal circulation stability of NIR998 NPs (20 μM) and ICG NPs (20 μM) in PBS (pH = 7.4) under irradiation (808 nm, 0.5 W cm−2), respectively. The solutions of samples was irradiated until its temperature reached to plateau. The irradition then stopped. When its temperature decrease to ambient temperature, we then repeated above process for seven times. (c) and (d) are absorption spectra of NIR998 NPs (20 μM) and ICG NPs (20 μM) in PBS (pH = 7.4) with the absence or presence of H2O2 (200 μM) or ONOO− (200 μM), respectively. Fig. S9. Absorption spectra of NIR998 NPs (20 μM) in PBS (pH = 7.4) with various pH (6.4 – 7.4), respectively. Fig. S10. Confocal fluorescence images of SKOV3 cells treated with NIR998 NPs (20 μM) plus light irradiation (808 nm, 0.5 W cm-2, 6 min), NIR998 NPs only, light irradiation only or PBS only, respectively. Dead cells and apoptotic cells were distinguished by propidium iodide (PI) and Annexin V-FITC, respectively. Fig. S11. (a), (b), (c) are dynamic light scattering results of NIR998 NPs in presence of serum proteins in vitro with time, respectively. Fig. S12. (a) The absorption spectra of NIR998 NPs in serum after intravenous injection of NIR998 NPs (200 μM, 150 μL) with time. (b) Time-dependent-concentrations curves of NIR998 NPs after their intravenous injection in mice. Fig. S13. (a) and (b) are the absorption spectra of free NIR998 obtained from major organs and tumors after intravenous injection of NIR998 NPs (200 μM, 150 μL) for 6 h and 48 h, respectively. Fig. S14. The absorption spectrum of NIR998 NPs (10-5 M) and excrement of mice in PBS (pH = 7.4) after intravenous injection of NIR998 NPs (200 μM, 150 μL) for 48 h. Fig. S15. Representative images of mice with SKOV3 tumor under different treatments during tumors therapy, respectively. Fig. S16. SKOV3 tumors of mice with different treatments after 30 days tumor therapy, respectively. Fig. S17. Blood test parameters in terms of basophils (BASO), eosnophilshaem (EO), monocyte (MONO), lymphocyte (LYMPH), neutrophile (NEUT) and mean corpuscular hemoglobinregulation (MCH) of SKOV3 tumor mice treated with NIR998 NPs plus light irradiation, NIR998 NPs, light irradiation after 30 days treatments, respectively. Healthy mice act as control. Figs. S18-S32 are NMR and MALDI-TOF-MS of NIRII dyes.