Synergistic role of metal coordination in enhancing advance polyurethane nanocomposite coatings with antioxidant potential and docking studies

This study presents a streamlined approach for synthesizing ethylene glycol (EG) and toluene diisocyanate (TDI)-based polyurethane (PU) and its manganese-coordinated nanocomposite (PUNC@M2) using minimal dimethyl sulfoxide as a solvent. The PUNC@M2 exhibits a smooth, glossy coating surface with enhanced functional and structural properties characterized through Fourier-transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), and field emission scanning electron microscopy (FE-SEM). FTIR analysis confirmed key functional groups, while XRD patterns revealed an amorphous structure in pristine PU and a semi-crystalline nature in the metal-coordinated nanocomposite. Comparative solubility assessments in polar and non-polar solvents and thermogravimetric analysis (TGA) demonstrated PUNC@M2′s improved thermal stability, tolerating temperatures up to 350°C. Surface morphology analysis through FE-SEM indicated a multilayered structure in virgin PU that transformed into a rough, spherical nanoscale architecture with metal incorporation. Antioxidant activity, evaluated by DPPH free radical scavenging, showed significantly higher efficacy in PUNC@M2 (84%) over pristine PU (41%). The docking studies of the sample suggest that hydrogen bonding and π-π stacking interactions play a significant role in the antibacterial activity of PUNC@M2. This study contributes to developing innovative antioxidant materials and highlighting the potential of PUNC@M2 for applications in biomedicine, food packaging and cosmetics.