Handayani, Nurrahmi; Cantika, Indah Permata; Setiadi, Yanuar; Rusli, Handajaya; Poma, Alessandro; Zulfikar, Muhammad Ali; Rachmawati, Heni; (2025) Selective removal of amitriptyline using molecularly imprinted polymer nanofibers through integrated computational and experimental approaches. Journal of Environmental Chemical Engineering , 13 (3) , Article 117051. 10.1016/j.jece.2025.117051.

Text JECE-D-24-18027_R1 (1).pdf - Accepted Version Access restricted to UCL open access staff until 14 May 2026. Download (2MB)

Abstract

In this study, molecularly imprinted polymer nanofibers were developed for the selective removal of amitriptyline through a combination of computational simulations and experimental validation. Computational screening identified methyl methacrylate as the optimal monomer for amitriptyline binding. The nanofibers were synthesized using methyl methacrylate, ethylene glycol dimethacrylate, and benzoyl peroxide, followed by electrospinning. Non-imprinted polymer nanofibers were also fabricated for comparative analysis. Infrared spectroscopy analysis confirmed the successful incorporation of methyl methacrylate. The adsorption data conformed to the Freundlich isotherm model, with the molecularly imprinted polymer nanofibers exhibiting a greater adsorption capacity for amitriptyline compared to the non-imprinted counterpart. Kinetic studies indicated that amitriptyline adsorption followed pseudo-first-order kinetics, suggesting effective physisorption. Selectivity tests revealed that the nanofibers had a lower adsorption capacity for nortriptyline (0.73 mg/g), while the capacity for amitriptyline was 25.97 mg/g, demonstrating high specificity. These results highlight the potential of molecularly imprinted nanofibers as selective adsorbents for amitriptyline in environmental applications.

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