@article{scholars16543,
             doi = {10.1016/j.inoche.2022.109604},
            note = {cited By 10},
       publisher = {Elsevier B.V.},
            year = {2022},
           title = {Experimental and molecular modelling approach for rapid adsorption of Bisphenol A using Zr and Fe based metal{\^a}??organic frameworks},
         journal = {Inorganic Chemistry Communications},
          volume = {142},
            issn = {13877003},
        abstract = {The synthesized highly porous functionalized metal{\^a}??organic frameworks (MOFs) are the solution for the rapid removal of toxic pollutants from wastewater. Bisphenol A (BPA) which consists of a derivative of phenol was identified as the primary pollutant in environmental waters and requires elimination for a sustainable and greener environment. In this work, we reported highly porous and stable Zr and Fe{\^a}??based metal{\^a}??organic frameworks as adsorbents for the removal of BPA in an aqueous solution. In this study, MIL{\^a}??88(Fe) (MIL stands for Mat{\~A}{\copyright}riaux de l'Institut Lavoisier) and UiO{\^a}??66(Zr) (UiO stands for University of Oslo) were synthesized by solvothermal techniques and characterized by fourier transformed infrared spectroscopy (FTIR), x{\^a}??ray diffraction (XRD), energy{\^a}??dispersive x{\^a}??ray spectroscopy (EDX), field emission scanning electron microscopy (FESEM), scanning electron microscopy (SEM) and nitrogen adsorption{\^a}??desorption measurements. MIL{\^a}??88(Fe) and UiO{\^a}??66(Zr) had 1242 and 1421 mg2/g surface area, respectively. In the experimental study, the UiO{\^a}??66(Zr) and MIL{\^a}??88(Fe) removed 99.25 and 98.36  BPA, respectively. Compared to MIL{\^a}??88(Fe), UiO{\^a}??66(Zr) showed faster adsorption of BPA. The process was exothermic and spontaneous. The pseudo{\^a}??second order model suited the kinetics studies well, while the Langmuir model fit the MIL{\^a}??88(Fe) and UiO{\^a}??66(Zr) isotherms. Molecular docking was used to study the surface interactions of MIL{\^a}??88(Fe) and UiO{\^a}??66(Zr) with BPA. The process involved van der Waals and hydrogen interactions between BPA with MIL{\^a}??88(Fe) and UiO{\^a}??66(Zr) surfaces. Both MOFs proved to have high efficacy and appropriateness for the practical application of BPA adsorption from an aqueous solution. {\^A}{\copyright} 2022 Elsevier B.V.},
             url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85131948495&doi=10.1016\%2fj.inoche.2022.109604&partnerID=40&md5=e24572f2deb70132a38aa4bbe2ab14f7},
          author = {Mahmad, A. and Shima Shaharun, M. and Ubaidah Noh, T. and Uba Zango, Z. and Faisal Taha, M.}
}