In the heart of Beijing, researchers at the North China Electric Power University have been delving into a pressing environmental and health concern: the carcinogenic risks posed by aromatic amines (AAs) and their oxidative products. Led by Yajing Liu from the MOE Key Laboratory of Resources and Environmental Systems Optimization, this groundbreaking study, published in the journal *Ecotoxicology and Environmental Safety* (translated as *Environmental Toxicology and Safety*), sheds light on the complex interplay between these chemicals and human health, with significant implications for the energy sector.
Aromatic amines are ubiquitous in the environment, often found in industrial processes, including those within the energy sector. While their carcinogenic potential has been a topic of concern, previous studies have largely focused on individual compounds or specific cancer types. Liu and her team sought to change that. “We wanted to take a more comprehensive approach,” Liu explains. “By constructing adverse outcome pathways (AOPs) for bladder, colorectal, and pancreatic cancers, we aimed to understand the broader carcinogenic risks posed by AAs and their oxidative metabolites.”
The study selected 100 representative AAs and generated 400 oxidative metabolites through reactions with various reactive oxygen species. Using a multi-indicator evaluation framework that integrated molecular docking, ADMET prediction, and several weighting methods, the team quantified the overall carcinogenic risk. Their findings revealed that cytochrome P450 (CYP450) plays a critical role in these AOPs, and that metabolites induced by ozone (O₃) show particularly high carcinogenic potential.
One of the most significant outcomes of this research is the prioritization list developed using the TOPSIS method combined with standard deviation classification. This list categorizes AAs into four levels of concern: “special concern,” “high concern,” “moderate concern,” and “low concern.” “This prioritization strategy is crucial for regulatory bodies and industries to focus their efforts on the most hazardous compounds,” Liu notes.
The structural feature and residue-level interaction analyses conducted by the team provide valuable insights into the mechanisms driving carcinogenic risk. AAs with complex architectures, multiple aromatic rings, bulky substituents, or the ability to form electrophilic metabolites were found to pose higher risks. Electrostatic interactions were identified as the primary driving force for AA–CYP450 binding, with a greater number of amino acid binding sites enhancing binding affinity and carcinogenic risk.
For the energy sector, these findings are particularly relevant. Many industrial processes, including those in power generation and chemical manufacturing, involve the use or production of AAs. Understanding the carcinogenic risks associated with these compounds and their oxidative products is essential for implementing effective safety measures and regulatory controls.
The research conducted by Liu and her team not only proposes a systematic risk grading framework but also establishes a prioritization strategy for AA control. By elucidating the structural and mechanistic determinants contributing to carcinogenic risk heterogeneity, this study paves the way for more targeted and effective interventions.
As the energy sector continues to evolve, the insights provided by this research will be invaluable in shaping policies and practices that prioritize both industrial efficiency and environmental safety. By addressing the carcinogenic risks posed by aromatic amines and their oxidative products, the energy sector can take significant strides towards a healthier and more sustainable future.