Additional file 1 of Kilogram scale facile synthesis and systematic characterization of a Gd-macrochelate as T1-weighted magnetic resonance imaging contrast agent
Creators: name: Shi, Meng
name: Xiong, Wei
name: Feng, Jie
name: Wu, Lihe
name: Yang, Jing
name: Lu, Yudie
name: Lu, Xuanyi
name: Fan, Qingdeng
name: Nie, Hemin
name: Dai, Yunlu
name: Yan, Chenggong
name: Tian, Ye
name: Shen, Zheyu
Publisher: name: figshare
Year: 2024
Subjects: Physical Sciences not elsewhere classified
Medicine
Cell Biology
Molecular Biology
Neuroscience
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Cancer
Computational Biology

description: Additional file 1: Table S1. Synthesis conditions and characterization results of Gd-HPMAs. Table S2. Synthesis conditions and characterization results of Gd-HPMAs. Table S3. Large scale synthesis conditions and characterization results of Gd-HPMAs. Table S4. Specifications, dosages, and physicochemical properties for commercial contrast agents. Table S5. Physicochemical properties and characterization results for the Gd-HPMA30 formulation with adjuvants after high-temperature sterilization. Table S6. Acute systemic toxicity of the Gd-HPMA30 formulation after i.v. administration. Fig. S1. T1 relaxation rate plotted as a function of CGd for aqueous solutions of Gd-HPMA1-9 at 25 ℃ measured at 3.0 T. Fig. S2. T2 relaxation rate plotted as a function of CGd for aqueous solutions of Gd-HPMA1-9 at 25 ℃ measured at 3.0 T. Fig. S3. Influence of the Gd/HPMA molar ratio A or the pH value B on the r1 value and r2/r1 ratio. Mean ± SD, n = 3. Fig. S4. T1-weighted MR images of Gd-HPMA1-9 with various CGd (0 ~ 200 μM) observed by a 3.0 T clinical MRI system. Fig. S5. T1 A–D or T2 relaxation rate E–H plotted as a function of CGd for Gd-HPMA10-13 at 3.0 T. Fig. S6. T1 A–D or T2 relaxation rate E–H plotted as a function of CGd for Gd-HPMA10-13 at 7.0 T. Fig. S7. Zeta potential of Gd-HPMA12. Fig. S8. MRI of cancer cells in vitro. Fig. S9. Viabilities of 4T1 cells treated with Gd-HPMA12 compared with Gadavist® in a Gd concentration range of 0–250 µg/mL. Mean ± SD, n = 3. Fig. S10. Hemolysis ratio induced by Gd-HPMA12 in a Gd concentration range of 0-500 µg/mL compared with pure water and PBS. Mean ± SD, n = 3. Fig. S11. Blood routine analyses of heathy mice at day 1.0, 7.0, or 21 post-injection (i.v.) of PBS, or Gd-HPMA12 (Gd dosage = 5.0 mg/kg). Mean ± SD, n = 3. The blood routine analyses include the following indicators: hematocrit (HCT), hemoglobin (HGB), lymphocyte count (Lymph#), mean corpusular hemoglobin (MCH), mean corpusular hemoglobin concerntration (MCHC), mean corpusular volume (MCV), mean platelet volume (MPV), platelet count (PLT), neutrophil ratio (Gran#), red blood cell (RBC), and white blood cell (WBC). Fig. S12. Excreted Gd content in urine or feces of healthy SD mice within 24 h after i.v. injection of Gd-HPMA12. Gd dosage = 5.0 mg/kg. Mean ± SD, n = 3. Fig. S13. Blood clearance profiles of Gd-HPMA12 in healthy Balb/c mice by tracking the Gd concentration in blood at different time intervals after i.v. injection (n = 3). Fig. S14. Biodistribution of Gd level in 4T1 tumor-bearing mice at 1.0 or 12 h post-injection of Gd-HPMA12 via tail vein. Gd dosage = 5.0 mg/kg. Mean ± SD, n = 3. Fig. S15. Histological analyses of main organs (H and E staining) obtained from healthy mice at day 2.0 post-injection (i.v.) of PBS, or Gd-HPMA12. Fig. S16. 1/T1 or 1/T2 relaxation rate plotted as a function of CGd for Gd-HPMA14-29 at 7.0 T. Fig. S17. The black and white images of T1-weighted MR images of Gd-HPMA14-29 with various CGd (0 ~ 200 μM) observed by a 7.0 T clinical MRI system. Fig. S18. The pseudo-color images of T1-weighted MR images for Gd-HPMA14-29 with various CGd (0 ~ 200 μM) observed by a 7.0 T MRI scanner. Fig. S19. 1/T1 or 1/T2 relaxation rate plotted as a function of CGd for Gd-HPMA30. Magnetic field = 7.0 T. Fig. S20. The black and white and corresponding pseudo-color images of T1-weighted MR images for Gd-HPMA30 macrochelate with various CGd (0 ~ 200 μM) observed by a 7.0 T MRI scanner.