Phenylamine/Amide Grafted in Silica as Sensing Nanocomposites for the Removal of Carbamazepine: A DFT Approach
Manuel Algarra,
Shehdeh Jodeh,
Israa Aqel,
Ghadir Hanbali,
Smaail Radi,
Said Tighadouini,
Raed Alkowni,
Juan Soto,
Subhi Samhan,
Savaş Kaya,
Konstantin P. Katin
Affiliations
Manuel Algarra
Department of Science, INAMAT<sup>2</sup> Institute for Advanced Materials and Mathematics, Campus of Arrosadia, Public University of Navarra, 31006 Pamplona, Spain
Shehdeh Jodeh
Department of Chemistry, An-Najah National University, Nablus P.O. Box 7, Palestine
Israa Aqel
Department of Chemistry, An-Najah National University, Nablus P.O. Box 7, Palestine
Ghadir Hanbali
Department of Chemistry, An-Najah National University, Nablus P.O. Box 7, Palestine
Smaail Radi
Faculty of Sciences Oujda, Mohammed First University, LCAE, BP 717, Oujda 60000, Morocco
Said Tighadouini
Laboratoire de Synthese Organique, Extraction et Valorisation, Faculté des Sciences Ain-Chock, Université Hassan II Casablanca, Casablanca 20100, Morocco
Raed Alkowni
Department of Biology and Biotechnology, An-Najah National University, Nablus P.O. Box. 7, Palestine
Juan Soto
Department of Physical Chemistry, Faculty of Science, Campus de Teatinos, University of Málaga, 29071 Málaga, Spain
Subhi Samhan
Research and Development Center, Palestine Water Authority, Ramallah 2174, Palestine
Savaş Kaya
Department of Pharmacy, Health Services Vocational School, Sivas Cumhuriyet University, Sivas 58140, Turkey
Konstantin P. Katin
Department of Condensed Matter Physics, National Research Nuclear University “MEPhI”, 115409 Moscow, Russia
This study aimed to remove carbamazepine from aqueous solutions, using functional silica phenylamine (SiBN), which is characterized and showed excellent chemical and thermal stability. Adsorbents based on silica were developed due to their unusually large surface area, homogenous pore structure, and well-modified surface properties, as silica sparked tremendous interest. It was determined to develop a novel silica adsorbent including phenylamine and amide (SiBCON). The adsorbents obtained were analyzed by various spectroscopy devices, including SEM, FT-IR and TGA analysis. The maximum removal rates for carbamazepine were 98.37% and 98.22% for SiBN and SiBCON, respectively, when optimized at room temperature, pH 9.0, initial concentration of 10 mg·L−1 and contact time of 15 min. Theoretical tools are widely used in the prediction of the power of interactions between chemical systems. The computed data showed that new amine modified silica is quite effective in terms of the removal of carbamazepine from aqueous solution. Calculation binding energies and DFT data showed that there is a powerful interaction between amine-modified silica and carbamazepine.
