Literature DB >> 35689266

Cellulose polymers with β-amino ester pendant group: design, synthesis, molecular docking and application in adsorption of toxic metals from wastewater.

Noor Nairat1, Othman Hamed2, Avni Berisha3,4, Shehdeh Jodeh5, Manuel Algarra6, Khalil Azzaoui7, Omar Dagdag8, Subhi Samhan9.   

Abstract

BACKGROUND: Cellulose polymers with multidentate chelating functionalities that have high efficiency for toxic metal ions present in water were designed, synthesized, and analyzed. The synthesis was carried out by reacting microcrystalline cellulose extracted from the solid waste of the olive industry with tert-Butyl acetoacetate (Cell-AA), produced cellulose with β-ketoester functionality was then reacted with aniline and the amino acid glycine to produce Cell-β-AN and Cell-β-GL, respectively.
RESULTS: The adsorption efficiency of the three polymers toward Pb(II) and various toxic metal ions present in sewage was evaluated as a function of adsorbent dose, time, temperature, pH value, and initial ion concentration to determine optimum adsorption conditions. The three polymers showed excellent efficiency toward about 20 metal ions present in a sewage sample collected from the sewer. The adsorption process follows the Langmuir adsorption isotherm model with a second-order of adsorption rate, the calculated qe values (2.675, 15.252, 20.856 mg/g) were close to the experimental qe values (2.133, 13.91, 18.786 mg/g) for the three polymers Cell-AA, Cell-β-AG and Cell-β-AN, respectively. Molecular Dynamic (MD) and Monte Carlo (MC) simulations were performed on the three polymers complexed with Pb(II).
CONCLUSION: The waste material of the olive industry was used as a precursor for making the target cellulose polymers with β-Amino Ester Pendant Group. The polymer was characterized by SEM, proton NMR, TGA, and FT-IR spectroscopy. The efficacy of adsorption was quantitative for metal ions present in a real sample of wastewater and the efficiency didn't drop even after 7 cycles of use. The results indicate the existence of strong complexation. The thermodynamic study results showed a spontaneous bonding between of Pb(II) and the polymers pendant groups expressed by the negative value of the Gibbs free energy.
© 2022. The Author(s).

Entities:  

Keywords:  2-furan carbonyl chloride; Adsorption; Cellulose; Cellulose nanocrystalline; Difenoconazole; Glycine; Molecular dynamic; Monte Carlo; Persistent pesticides; Wastewater; Water treatment

Year:  2022        PMID: 35689266      PMCID: PMC9188135          DOI: 10.1186/s13065-022-00837-7

Source DB:  PubMed          Journal:  BMC Chem        ISSN: 2661-801X


  22 in total

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Authors:  Tian Lu; Feiwu Chen
Journal:  J Comput Chem       Date:  2011-12-08       Impact factor: 3.376

2.  Removal of Cu(II) ions by activated poplar sawdust (Samsun clone) from aqueous solutions.

Authors:  Filiz Nuran Acar; Zeynep Eren
Journal:  J Hazard Mater       Date:  2006-04-18       Impact factor: 10.588

3.  Adsorption of heavy metal ion from aqueous single metal solution by chemically modified sugarcane bagasse.

Authors:  Osvaldo Karnitz; Leandro Vinicius Alves Gurgel; Júlio César Perin de Melo; Vagner Roberto Botaro; Tânia Márcia Sacramento Melo; Rossimiriam Pereira de Freitas Gil; Laurent Frédéric Gil
Journal:  Bioresour Technol       Date:  2006-07-14       Impact factor: 9.642

4.  Utilization of waste product (tamarind seeds) for the removal of Cr(VI) from aqueous solutions: equilibrium, kinetics, and regeneration studies.

Authors:  Suresh Gupta; B V Babu
Journal:  J Environ Manage       Date:  2009-05-26       Impact factor: 6.789

5.  Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data.

Authors:  Alexandre Tkatchenko; Matthias Scheffler
Journal:  Phys Rev Lett       Date:  2009-02-20       Impact factor: 9.161

Review 6.  A review on agro-industrial waste (AIW) derived adsorbents for water and wastewater treatment.

Authors:  Jiahao Mo; Qi Yang; Na Zhang; Wenxiang Zhang; Yi Zheng; Zhien Zhang
Journal:  J Environ Manage       Date:  2018-09-11       Impact factor: 6.789

Review 7.  Heavy metal adsorption onto agro-based waste materials: a review.

Authors:  Ayhan Demirbas
Journal:  J Hazard Mater       Date:  2008-01-17       Impact factor: 10.588

8.  Assessment of Pb2+ removal capacity of lichen (Evernia prunastri): application of adsorption kinetic, isotherm models, and thermodynamics.

Authors:  Zeynep Mine Şenol; Ülküye Dudu Gül; Selçuk Şimşek
Journal:  Environ Sci Pollut Res Int       Date:  2019-07-16       Impact factor: 4.223

9.  Cellulose-Based Hectocycle Nanopolymers: Synthesis, Molecular Docking and Adsorption of Difenoconazole from Aqueous Medium.

Authors:  Bayan Khalaf; Othman Hamed; Shehdeh Jodeh; Roland Bol; Ghadir Hanbali; Zaki Safi; Omar Dagdag; Avni Berisha; Subhi Samhan
Journal:  Int J Mol Sci       Date:  2021-06-04       Impact factor: 5.923

10.  Galactomannan as a new bio-sourced corrosion inhibitor for iron in acidic media.

Authors:  Said Abbout; Meryem Zouarhi; Driss Chebabe; Mohamed Damej; Avni Berisha; Najat Hajjaji
Journal:  Heliyon       Date:  2020-03-18
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