Remediation of multifarious metal ions and molecular docking assessment for pathogenic microbe disinfection in aqueous solution by waste-derived Ca-MOF

The present study demonstrates an eco-friendly and cost-effective synthesis of calcium terephthalate metal–organic frameworks (Ca-MOF). The Ca-MOF were composed of metal ions (Ca2+) and organic ligands (terephthalic acid; TPA); the former was obtained from egg shells, and the latter was obtained from processing waste plastic bottles. Detailed characterization using standard techniques confirmed the synthesis of Ca-MOF with an average particle size of 461.9 ± 15 nm. The synthesized Ca-MOF was screened for its ability to remove multiple metal ions from an aqueous solution. Based on the maximum sorption capacity, Pb2+, Cd2+, and Cu2+ ions were selected for individual parametric batch studies. The obtained results were interpreted using standard isotherms and kinetic models. The maximum sorption capacity (qm) obtained from the Langmuir model was found to be 644.07 ± 47, 391.4 ± 26, and 260.5 ± 14 mg g−1 for Pb2+, Cd2+, and Cu2+, respectively. Moreover, Ca-MOF also showed an excellent ability to remove all three metal ions simultaneously from a mixed solution. The metal nodes and bonded TPA from Ca-MOF were dissociated by the acid dissolution method, which protonated and isolated TPA for reuse. Further, the crystal structure of Ca-MOF was prepared and docked with protein targets of selected pathogenic water-borne microbes, which showed its disinfection potential. Overall, multiple metal sorption capability, regeneration studies, and broad-spectrum antimicrobial activity confirmed the versatility of synthesized Ca-MOF for industrial wastewater treatment.