Executive Summary : | Antifreeze proteins (AFPs) found in polar organisms like fish, insects, and bacteria are used in cryopreservation, hydrate inhibition, and frozen food processing. They bind to small ice crystals under extremely low temperatures, preventing damage by inhibiting the growth of the ice phase. However, their use in industry is impractical due to the high cost associated with extracting AFPs and scaling up the process. Alternative materials/molecules are being sought to address this issue. Cryopreservation is crucial for the health sector, as it preserves organs and tissue before implantation. Current cryoprotectants (CPAs) have three key functions: ice-recrystallization inhibition (IRI), freezing point depression, and ice shape and growth control. However, their toxicity limits their use. To minimize cell damage, optimization of intracellular and extracellular ice formation and prevention of its growth and recrystallization is essential. Various biomolecules, polymers, and nanoparticles have been studied for their antifreeze behavior. A recent study by Zhu et al. showed that few MOFs exhibit remarkable cryopreservation efficiency, suggesting the possibility of more potent MOF candidates that can be efficient ice inhibitors. However, identifying MOFs possessing IRI property is challenging and requires a combinatorial approach. This proposal proposes developing an Insilco methodology for rationally designing anti-freezing nanoparticles using structure-property relations, molecular simulations, and machine learning methods. This approach aims to identify new materials with higher IRI activity and improved cryopreservation efficiency, as well as providing insight into the underlying mechanism for ice inhibition. |