Highly oxidized multifunctional organic molecules, which span a wide range of low volatilities, are capable of driving particle formation as well as the initial growth of particles in the atmosphere. However, their participant mechanism in new particle formation still remains largely ambiguous. Here we present an investigation of the potentially participant mechanism of the simplest hydroxyl acid, glycolic acid (GA) on clusters formation by sulfuric acid (SA) and ammonia (A). Density functional theory calculations at the M062X/6-311++G(3df,3pd) level of theory combining with atmospheric cluster dynamics code simulations of cluster ( + z ≤ 3) systems at different temperatures (298, 278, 258, 238, and 218 K) give direct evidence of the enhancement effect of GA on the formation rates of SA-A-based clusters at high concentration of GA and T = 238 K and 218 K. Moreover, within GA’s enhancement concentrations, the enhancement strength R of GA presents a positive dependence on its atmospheric concentrations and a negative dependence on temperature. A competitive relationship between SA and GA has been identified through the negative dependence of R on the concentrations of SA. The influence of A on R is more complex that R first increases, reaching a maximum value, and then decreases with the increasing concentration of A. Finally, the combination of the traced growth paths of the system with the enhancement strength of GA suggests a “catalytic” enhancement mechanism of GA where GA acts as a mediate bridge for the formation of pure SA-A-based clusters.
Bisphenols (BPs) are ubiquitous environmental endocrine disruptors that cause various human health hazards and pollute water, soil, and the atmosphere to varying degrees. Although various studies have investigated the pollution characteristics and health hazards of BPs in different media, a systematic review of BPs in the broader environmental context is still lacking. This study highlights the pollution characteristics, detection methods, and risk assessment status of BPs by combining relevant studies from both domestic and international sources, and their environmental distribution characteristics are summarized. The results show that BP pollution is a widespread and complex global phenomenon. Bisphenol A (BPA) remains the predominant component of BPs, which can damage the nervous and reproductive systems. At present, high-performance liquid chromatography–tandem mass spectrometry, high-performance liquid chromatography, and liquid chromatography–tandem mass spectrometry are the main detection methods used for BPs. BPs can also damage the reproductive system, leading to germ cell apoptosis and ovarian damage. Future research should focus on expanding the BP testing repertoire, advancing rapid detection techniques, elucidating toxic mechanisms, conducting comprehensive safety assessments, and developing systematic health risk assessment methods. These efforts will provide a scientific foundation for preventing and controlling emerging pollutants.
Phthalic acid esters (PAEs) are a class of common environmental endocrine disruptors (EEDs), capable of causing considerable pollution to water, soil, and air and producing a range of adverse health impacts in humans. Although various studies have investigated the pollution characteristics and health hazards of PAEs in different media, a systematic review of PAEs in the broader environmental context is still lacking. In order to comprehensively explore current issues and suggest prospects, the current status, detection technology, toxicity, and health hazards of PAEs were investigated. The results suggest that PAE pollution is a widespread and complex global phenomenon, transported over long distances. The traditional techniques used for determination include high-performance liquid chromatography–mass spectrometry (HPLC-MS), gas chromatography–mass spectrometry (GC-MS), and high-performance liquid chromatography (HPLC). Various detection techniques offer distinct advantages and disadvantages. Moreover, PAEs can cause differing extents of harm to the nervous and reproductive systems of mammals. In the future, it is imperative to improve the detection of PAEs, establish rapid identification approaches, refine toxicological research methods, and investigate more comprehensive health risk assessment methods. These efforts will provide scientific support for the prevention and management of the resulting contaminants.
A reliable QSPR model of thermal decomposition temperature ( Td ) was built and developed using support vector machine (SVM) learning technology to predict the property of newly designed nitrogen-rich energetic ionic salts.
The ability of the atmosphere to convert primary pollutants into secondary pollutants through atmospheric oxidants is referred to as the atmospheric oxidizing capacity (AOC). This study systematically reviews the generation mechanisms, influencing factors, and quantitative characterization methods of major oxidants, along with advances in chemical mechanisms and modeling. We provide a comparative analysis of AOCs across diverse environments, including urban, suburban, and rural regions, highlighting the distinct impacts of anthropogenic and biogenic emissions on oxidation regimes. Despite advancements in chemical transport models and machine learning, limitations such as sparse observations, imperfect parameterizations, and unresolved chemical mechanisms lead to significant underestimations of the AOC. Future research must prioritize multi-scale observational networks and the elucidation of key chemical processes to refine model accuracy and improve the effectiveness of pollution control strategies.