Cellulose polymers with β-amino ester pendant group: design, synthesis, molecular docking and application in adsorption of toxic metals from wastewater
Fecha
2022Autor
Versión
Acceso abierto / Sarbide irekia
Tipo
Artículo / Artikulua
Versión
Versión publicada / Argitaratu den bertsioa
Impacto
|
10.1186/s13065-022-00837-7
Resumen
Background: Cellulose polymers with multidentate chelating functionalities that have high eficiency 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 t ...
[++]
Background: Cellulose polymers with multidentate chelating functionalities that have high eficiency 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 Cellβ-AN and Cell-β-GL, respectively.
Results: The adsorption efciency 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 efciency 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 efcacy of adsorption was quantitative for metal ions present in a real sample of wastewater and
the efciency 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. [--]
Materias
Water treatment,
Persistent pesticides,
Difenoconazole,
Cellulose nanocrystalline,
2-furan carbonyl chloride,
Cellulose,
Monte Carlo,
Glycine,
Molecular dynamic,
Adsorption,
Wastewater
Editor
BioMed Central
Publicado en
BMC Chemistry (2022)
Departamento
Universidad Pública de Navarra/Nafarroako Unibertsitate Publikoa. Institute for Advanced Materials and Mathematics - INAMAT2 /
Universidad Pública de Navarra. Departamento de Ciencias /
Nafarroako Unibertsitate Publikoa. Zientziak Saila
Versión del editor
Entidades Financiadoras
This research received some funding from Middle East Desalination Research Center (MEDRC) and Palestine Water Authority (PWA) grant number MEDRC- 20-2022