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Adsorption Behavior and Mechanism of Antibiotic Sulfamethoxazole on Carboxylic-Functionalized Carbon Nanofibers-Encapsulated Ni Magnetic Nanoparticles

机译:磺胺甲基异恶唑在羧基功能化碳纳米纤维包裹的镍磁性纳米粒子上的吸附行为及机理

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In this work we developed a one-step process for synthesizing carboxylic-functionalized carbon nanofibers (CNFs)-encapsulated Ni magnetic nanoparticles (Ni@CNFs) that exhibit an excellent magnetic response and a large content of hydrophilic carboxylate groups with a negative charge (RCOO-) on the carbon surface. The carbon-encapsulated magnetic Ni nanoparticles could be rapidly separated from water, and they showed high efficiency for adsorption of the antibiotic sulfamethoxazole (SMX) in aqueous solution. The adsorption of SMX on Ni@CNFs as a function of pH was investigated, and the greatest adsorption occurred at pH 7.0. The adsorption isotherms for SMX on Ni@CNFs depended on different pH values. A Monte Carlo simulation was used to probe the relationship between molecular conformation and pi-pi interaction. The high adsorption of SMX on Ni@CNFs at pH 7.0 could be ascribed to deprotonated SMX being easily converted to a planar-like conformation, thereby resulting in the formation of pi rings that were approximately parallel to the graphite surface and that enhanced strong pi-pi interaction. Electrostatic and pi-pi interactions both contributed to deprotonated SMX adsorption at pH 7.0, and they influenced the adsorption isotherm toward the Freundlich model. However, in weakly acidic environments (pH 2.0 and 4.0), the electrostatic interaction alone could induce an adsorption pattern that was similar to the Langmuir model.
机译:在这项工作中,我们开发了一个一步法来合成羧基官能化的碳纳米纤维(CNF)包裹的Ni磁性纳米粒子(Ni @ CNFs),该纳米粒子表现出出色的磁响应和大量带负电荷的亲水性羧酸根基团(RCOO) -)在碳表面上。碳包裹的磁性Ni纳米颗粒可与水快速分离,并且对水溶液中的抗生素磺胺甲恶唑(SMX)吸附具有很高的效率。研究了SMX在Ni @ CNFs上的吸附随pH的变化,最大的吸附发生在pH 7.0时。 Ni @ CNFs上SMX的吸附等温线取决于不同的pH值。蒙特卡罗模拟用于探测分子构象与pi-pi相互作用之间的关系。 SMX在pH 7.0的Ni @ CNFs上的高吸附可以归因于去质子化的SMX易于转化为平面状构象,从而导致pi环的形成与石墨表面近似平行,并增强了强pi- pi交互。静电和pi-pi相互作用均导致pH 7.0下去质子化的SMX吸附,并且它们影响了Freundlich模型的吸附等温线。但是,在弱酸性环境(pH 2.0和4.0)中,单独的静电相互作用会引起类似于Langmuir模型的吸附模式。

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