Sumaryada Tony, Nabilah Fasya, Handayasari Faridah, Kartono Agus, Hardhienata Hendradi
Theoretical Physics Division, Department of Physics, IPB University, Meranti Avenue, Wing S Building Dramaga Campus of IPB, Bogor, West Java, 16680, Indonesia.
Department of Food Technology and Nutrition, Faculty of Halal Food Science, Djuanda University, Bogor. Jl. Tol Ciawi No.1, Postal Code 35, Ciawi, Bogor, 16720, Indonesia.
J Biol Phys. 2025 Mar 14;51(1):12. doi: 10.1007/s10867-025-09677-7.
The increasing prevalence of microplastics in water sources poses significant threats to both human health and environmental sustainability. Bisphenol A (BPA) and polyethylene terephthalate (PET), two hazardous microplastic contaminants, are known to cause endocrine disruption and other health risks. This study investigates the potential of graphene oxide (GO) as an efficient adsorbent for the removal of these contaminants through detailed molecular interaction analysis. The adsorption efficiencies of GO were quantitatively assessed, demonstrating strong binding affinities of ∆G = - 9.50 kcal/mol for BPA and ∆G = - 6.90 kcal/mol for PET. The adsorption process is primarily governed by π-π stacking interactions between the aromatic structure of the microplastics and the polycyclic surface of GO, with additional contributions from hydrogen bonding and van der Waals forces. Computational simulations revealed consistent binding across specific active sites on the GO surface, indicating minimal variation in adsorption performance. These findings highlight the potential of GO-based filtration systems for large-scale water treatment applications, offering a promising approach to mitigating microplastic contamination and ensuring safer water supplies. These findings highlight the potential of GO-based filtration systems for large-scale water treatment applications, offering a promising approach to mitigating microplastic contamination and ensuring safer water supplies. Future research should focus on optimizing GO-based filtration techniques and exploring their long-term environmental impact.
水源中微塑料的日益普遍对人类健康和环境可持续性都构成了重大威胁。双酚A（BPA）和聚对苯二甲酸乙二酯（PET）这两种有害的微塑料污染物已知会导致内分泌紊乱和其他健康风险。本研究通过详细的分子相互作用分析，研究了氧化石墨烯（GO）作为去除这些污染物的高效吸附剂的潜力。对GO的吸附效率进行了定量评估，结果表明其对BPA的结合亲和力很强，∆G = -9.50千卡/摩尔，对PET的结合亲和力为∆G = -6.90千卡/摩尔。吸附过程主要由微塑料的芳香结构与GO的多环表面之间的π-π堆积相互作用控制，氢键和范德华力也有额外贡献。计算模拟揭示了GO表面特定活性位点上的一致结合，表明吸附性能变化最小。这些发现突出了基于GO的过滤系统在大规模水处理应用中的潜力，为减轻微塑料污染和确保更安全的供水提供了一种有前景的方法。这些发现突出了基于GO的过滤系统在大规模水处理应用中的潜力，为减轻微塑料污染和确保更安全的供水提供了一种有前景的方法。未来的研究应侧重于优化基于GO的过滤技术，并探索其长期环境影响。
