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Herein, a ligand\u2010engineered cadmium\u2010based metal\u2010organic framework (Cd\u2010MOF), synthesized from bis(2\u2010carboxyethyl) isocyanurate (H\n                    <jats:sub>2<\/jats:sub>\n                    Cei) and 1,4\u2010bis(1H\u2010imidazol\u20101\u2010yl)methyl]benzene (Bimb) ligands, that exhibits dual functionality for visible\u2010light\u2010driven photocatalytic degradation and fluorescent sensing is reported. The Cd\u2010MOF demonstrates high crystallinity, mesoporosity (BET surface area: 598\u00a0m\n                    <jats:sup>2<\/jats:sup>\n                    \u00a0g\n                    <jats:sup>\u22121<\/jats:sup>\n                    ), and structural robustness. Under visible light, it achieves &gt;96% degradation of Rhodamine B (RhB), Methylene Blue (MB), and ciprofloxacin (CPF) within 150\u00a0min, and maintains efficient performance in a ternary mixture, with selectivity toward RhB. Radical trapping and photophysical studies reveal a reactive oxygen species\u2010driven degradation mechanism, while DFT calculations confirm pollutant\u2010induced band gap modulation and enhanced charge transfer. Moreover, the Cd\u2010MOF selectively detects CPF via fluorescence quenching with a detection limit of 0.563\u00a0ppm, showing excellent sensitivity, reusability, and pH stability. This study presents a structurally tunable and multifunctional MOF platform for integrated pollutant degradation and real\u2010time antibiotic sensing, supported by combined experimental and theoretical validation.\n                  <\/jats:p>","DOI":"10.1002\/smll.202508916","type":"journal-article","created":{"date-parts":[[2025,12,5]],"date-time":"2025-12-05T09:38:04Z","timestamp":1764927484000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["DFT\u2010Backed Study on the Synergistic Photodegradation of Ternary Drug\u2010Dye Pollutants via Cd\u2010Based MOF"],"prefix":"10.1002","volume":"22","author":[{"given":"Vibhav","family":"Shukla","sequence":"first","affiliation":[{"name":"Department of Chemistry National Institute of Technology Raipur  G E Road Raipur Chhattisgarh 492010 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Astakala 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