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The rapid advancement of artificial intelligence (AI) is revolutionizing research paradigms in nanotechnology, playing an increasingly pivotal role in material discovery, synthesis, application, and risk assessment. This opinion provides a comprehensive analysis of the current development in “AI + nanotechnology” interdisciplinary field. First, we evaluated the current state of available data in nanomaterials research and proposed future directions for advancing data standardization. Second, we systematically categorized the nano-descriptors and AI algorithms commonly employed in current studies while identifying potential areas for improvement. Finally, we highlighted the current applications and future prospects of AI in material discovery and synthesis, as well as in risk prediction and sustainable-by-design.

The toxicological effect of TiO₂ nanoparticles with different crystal structure (80 nm for rutile and 155 nm for anatase) on female mice was investigated through intranasal instillation. After exposure for 30 days at the dose of 50 mg/kg body weight, no abnormal activity and mortality were observed with the normally increasing body weight of mice. The coefficients of tissues to body weight also show no obvious difference from the control except the increased coefficient of kidneys in mice exposed to 80 nm TiO₂ nanoparticles. Titanium contents and histopathology examination indicate the no pathological response in the lung was induced by the increased TiO₂ deposition, and the liver, heart, and spleen were not influenced. The severe pathology changes in kidneys suggest that TiO₂ nanoparticles may be excreted out by kidneys via system circulation. However, the serum biochemical parameters were not changed compared with the control, which means no obvious functional impairment induced by the nasal exposure for 30 days. In addition, the higher titanium contents in the brain tissues imply that the translocation and deposition of nanoparticles through intranasal instilling pathway is different from the other routes such as intratracheal inhalation or intratracheal instillation. The influence of deposited nanoparticles on central nervous system needs further investigation and is underway.

Nanotoxicology is a concern. While skin exposure is generally perceived as less hazardous than inhalation or ingestion of engineered nanoparticles, there remain significant knowledge gaps in the topic to suggest greater caution in making a conclusion. Penetration of nanoparticles across an intact skin barrier is low. However, the verdict is still out on how this will change in situations where the skin barrier is compromised. Many studies on the interaction of nanoparticles with biological systems including skin cells have been reported. Under different scenarios, nanoparticles commonly found in topical skin products have been shown to be capable of exerting a variety of toxicological influences. These influences include causing cell death, stress, inflammation and damage to DNA. While alarming, it should also be noted that there remains much confusion and contradiction in the literature due to the complexity of studying cell–nanoparticle interactions. This review aims to provide a concise perspective on our current understanding of nanotoxicology in the skin, and identify the knowledge gaps where research efforts may be focused to help clarify the uncertainties in the field.