Optimizing sustainable pore design in MIL-125(Ti) for biomedicine using morphological tuning informed by Gaussian,...

Metal-organic frameworks (MOFs) are porous crystalline materials whose adjustable structures make them increasingly attractive for biomedical engineering. Yet, developing sustainable routes to control their pore features remains a challenge. In this study, we explored how synthesis time can act as a simple and eco-friendly lever for pore engineering in MIL-125(Ti). By varying only the reaction duration, we created a series of MOF variants with distinct morphologies, pore sizes, and surface areas, each optimized for drug delivery and gene-editing applications. Detailed analyses using BET, XRD, and FESEM, supported by mathematical modeling, showed that synthesis time directly shapes crystallinity, porosity, and biocompatibility. Notably, the 24-hour sample displayed the highest surface area and pore volume, suitable for sustained drug release, while shorter synthesis times yielded frameworks favorable for other therapeutic uses. Overall, our findings introduce the concept of a sustainable pore size as a practical approach to designing high-performance biomedical materials.