In Situ Surface-Engineered CoFe2O4 Nanocomposites via Biopolymers–Surfactant: Molecular-Level Insights into Enhanced Magnetic Hyperthermia and Selective Anticancer Performance
摘要
Cobalt ferrite (CoFe2O4) nanocomposites functionalized with chitosan (CS), alginate (Alg), cellulose (CL), and cetyltrimethylammonium bromide (CTAB) were successfully synthesized via a sol–gel route for enhanced magnetic hyperthermia (MHT) and theranostic applications. X-ray diffraction confirmed the formation of a single-phase cubic spinel structure, while crystallite size increased from 7.91 nm for pristine CoFe2O4 to 13.36, 15.09, 13.16, and 20.05 nm for CS-, Alg-, CL-, and CTAB-capped samples, respectively. SEM analysis revealed porous and agglomerated nanostructures favorable for biological interactions. Optical studies showed a reduction in bandgap energy from 2.81 eV (pristine) to 2.12–2.69 eV after surface functionalization, indicating enhanced electronic interactions and potential reactive oxygen species generation. Magnetic characterization demonstrated tunable ferrimagnetic behavior and significantly improved heating performance with increased saturation magnetization. The specific absorption rate (SAR) increased from 296.99 W g−1 for pristine CoFe2O4 to 355.95, 409.85, 483.42, and 753.86 W g−1 for CS-, Alg-, CL-, and CTAB-coated samples, respectively, while intrinsic loss power (ILP) increased from 0.0216 to 0.0547 nH·m2 kg−1. It was observed that the samples exhibited IC50 values in the range of ~ 2.5–3.5 mg/mL for HeLa cells and ~ 3.0–4.0 mg/mL for MCF-7 cells, whereas no IC50 was obtained for L929 cells, indicating good biocompatibility and selective cytotoxicity toward cancer cells. Molecular docking against EGFR and Bcl-2 receptors showed the strongest binding affinity for CL-CoFe2O4 (− 5.915 and − 6.173 kcal mol−1, respectively). The most striking finding is the pronounced selective anticancer activity of Alg-CoFe2O4, which induced the highest HeLa cell death (81.1%) among all tested samples while maintaining L929 viability at 97.0%, a selectivity index that is highly favorable for a nanocarrier platform. Overall, CTAB-CoFe2O4 emerged as the most efficient hyperthermia agent, whereas CL-CoFe2O4 demonstrated superior theranostic potential, highlighting the effectiveness of surface engineering in optimizing magnetic heating efficiency, biocompatibility, and anticancer performance.
Graphical Abstract