CHEM-PHSep 6, 2024
AI and Machine Learning Approaches for Predicting Nanoparticles Toxicity The Critical Role of Physiochemical PropertiesIqra Yousaf
This research investigates the use of artificial intelligence and machine learning techniques to predict the toxicity of nanoparticles, a pressing concern due to their pervasive use in various industries and the inherent challenges in assessing their biological interactions. Employing models such as Decision Trees, Random Forests, and XGBoost, the study focuses on analyzing physicochemical properties like size, shape, surface charge, and chemical composition to determine their influence on toxicity. Our findings highlight the significant role of oxygen atoms, particle size, surface area, dosage, and exposure duration in affecting toxicity levels. The use of machine learning allows for a nuanced understanding of the intricate patterns these properties form in biological contexts, surpassing traditional analysis methods in efficiency and predictive power. These advancements aid in developing safer nanomaterials through computational chemistry, reducing reliance on costly and time-consuming experimental methods. This approach not only enhances our understanding of nanoparticle behavior in biological systems but also streamlines the safety assessment process, marking a significant stride towards integrating computational techniques in nanotoxicology.
MED-PHJun 2, 2025
Advanced Nanostructured Topical Therapeutics for Psoriasis: Strategic Synthesis, Multimodal Characterization, and Preliminary Pharmacodynamic ProfilingIqra Yousaf, Aqsa Yousaf
Psoriasis is a long-term inflammatory skin disease that remains difficult to treat. In this study, we developed a new topical treatment by combining metal oxide nanoparticles: cerium oxide (CeO2), zinc oxide (ZnO), and silver (Ag), with natural plant extracts in a gel made from fish collagen and agar. The nanoparticles were characterized using UV-Vis spectroscopy, dynamic light scattering (DLS), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM), showing good stability and a uniform particle size distribution (ZnO averaged 66 nm). To enhance therapeutic potential, the gel was enriched with plant-derived antioxidants from bitter melon, ginger, and neem. This formulation was tested on an animal model of psoriasis. The treated group exhibited faster wound healing and reduced inflammation compared to both placebo and untreated groups, with statistically significant results (p < 0.01 to p < 0.001) observed from Day 3, becoming more pronounced by Day 14. These results indicate that the combination of nanoparticles with plant-based components in a topical gel may provide a promising new approach to psoriasis treatment. Further studies are recommended to evaluate long-term safety and therapeutic effectiveness.