College of Resources and Environment, Northeast Agricultural University, No.600 Changjiang Road, Xiangfang District, Harbin 150030, China.
College of Life Sciences, Northeast Agricultural University, No.600 Changjiang Road, Xiangfang District, Harbin 150030, China.
Ecotoxicol Environ Saf. 2024 Oct 15;285:117058. doi: 10.1016/j.ecoenv.2024.117058. Epub 2024 Sep 18.
In recent years, the environmental impact of microplastics (MPs) and antibiotics (ATs) as pollutants cannot be ignored. In order to evaluate the carrier effect of MPs in the aqueous environment, three MPs, polyamide (PA), polyethylene (PE) and polyethylene terephthalate (PET), were selected in this study, and their structures were analyzed by means of characterization. A preliminary description of their interactions with sulfamonomethoxine was carried out by adsorption kinetics and isotherm fitting. The dominance of non-bonding capacity (van der Waals and electrostatic interaction forces) in the adsorption process was demonstrated using molecular dynamics (MD) simulations and density functional theory (DFT), with the interaction strengths ranked as PA > PE > PET, respectively. PA is less adsorbent stable at the molecular level but exhibits the largest adsorption capacity influenced by the characterized structure and multiple interaction forces. PET possesses a stronger stability and is not easily replaced by other substances. This will help to further understand the complex effect mechanism between MPs and organic pollutants, and provide an important reference for the prevention and control of environmental pollution.
近年来，微塑料（MPs）和抗生素（ATs）作为污染物的环境影响不容忽视。为了评估 MPs 在水环境中的载体效应，本研究选择了三种 MPs，聚酰胺（PA）、聚乙烯（PE）和聚对苯二甲酸乙二醇酯（PET），并通过特征化手段分析其结构。通过吸附动力学和等温拟合对它们与磺胺甲恶唑的相互作用进行了初步描述。分子动力学（MD）模拟和密度泛函理论（DFT）证明了非键合能力（范德华力和静电相互作用力）在吸附过程中的主导地位，相互作用强度的顺序为 PA>PE>PET。PA 在分子水平上的吸附稳定性较差，但表现出最大的吸附容量，这受特征结构和多种相互作用力的影响。PET 具有更强的稳定性，不易被其他物质取代。这将有助于进一步了解 MPs 和有机污染物之间的复杂作用机制，并为环境污染的防治提供重要参考。
