Quantification of domestic lead in daily used products using Pb-ceftriaxone/multiwalled carbon nanotube modified sensor and quantum calculations by density functional theory and non-linear optical properties
Youssef, A., Issa, Y., abdel latif, S., Sherief, H., Mohamed, S. (2023). Quantification of domestic lead in daily used products using Pb-ceftriaxone/multiwalled carbon nanotube modified sensor and quantum calculations by density functional theory and non-linear optical properties. EKB Journal Management System, 66(9), 563-579. doi: 10.21608/ejchem.2022.156055.6754
Ahmed F.A. Youssef; Yousry M. Issa; Samir abdel latif; Heba Sherief; Sabrein Mohamed. "Quantification of domestic lead in daily used products using Pb-ceftriaxone/multiwalled carbon nanotube modified sensor and quantum calculations by density functional theory and non-linear optical properties". EKB Journal Management System, 66, 9, 2023, 563-579. doi: 10.21608/ejchem.2022.156055.6754
Youssef, A., Issa, Y., abdel latif, S., Sherief, H., Mohamed, S. (2023). 'Quantification of domestic lead in daily used products using Pb-ceftriaxone/multiwalled carbon nanotube modified sensor and quantum calculations by density functional theory and non-linear optical properties', EKB Journal Management System, 66(9), pp. 563-579. doi: 10.21608/ejchem.2022.156055.6754
Youssef, A., Issa, Y., abdel latif, S., Sherief, H., Mohamed, S. Quantification of domestic lead in daily used products using Pb-ceftriaxone/multiwalled carbon nanotube modified sensor and quantum calculations by density functional theory and non-linear optical properties. EKB Journal Management System, 2023; 66(9): 563-579. doi: 10.21608/ejchem.2022.156055.6754

Quantification of domestic lead in daily used products using Pb-ceftriaxone/multiwalled carbon nanotube modified sensor and quantum calculations by density functional theory and non-linear optical properties

Egyptian Journal of Chemistry
Volume 66, Issue 9, September 2023, Page 563-579  XML PDF (1.29 MB)
Document Type: Original Article
DOI: 10.21608/ejchem.2022.156055.6754
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Authors
Ahmed F.A. Youssef email 1, 2; Yousry M. Issa1; Samir abdel latif3; Heba Sherief4; Sabrein Mohamed5
1Chemistry Department, Faculty of Science, Cairo University, Giza, 12613, Egypt.
2University of Science and Technology, Zewail City, Giza, 12578, Egypt.
3chemistry, faculty of science, Helwan University, Egypt.
4Banknote Printing House, Central Bank of Egypt, Pyramid Street, Giza, Egypt
51-Department of chemistry, Faculty of science, Cairo University, Giza, Egypt 2-Chemistry Department, College of Science, Jouf University, P.O. Box 2014, Sakaka, Saudi Arabia
Abstract
A carbon paste electrode modified with Pb-Ceftriaxone and multi-wall carbon nanotube was constructed. It showed Nernstian response to Pb(II), 30.42 mV/decade, over the concentration range 6.28×10-7-1.29×10-3 mol L-1, detection limit of 3.90×10-7 mol L-1, in the pH range 1.5-5.8 with a response time of ≤10 s at 25 °C and 20 days lifetime. Moreover, a study of the relation between Pb(II) concentration in banknote paper and their withdrawal criteria (soiling, deterioration and aging) from circulation was performed and it revealed a good relation. That means lead concentration can be used as new criteria for banknote withdrawal using the proposed electrode. To investigate the type of bond in the newly prepared compound, Pb-Ceftriaxone, quantum mechanical calculations of energies and geometries were done using the density functional theory with Becke's three-parameter exchange functional approach, the Lee-Yang-Parr correlation functional (B3LYP) combined with 6.311G** used as basis set. The evaluation of the Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) has been used to explain the charge transfer within the Ceftriaxone compound. Geometrical parameters, molecular electrostatic potential maps, and total electron densities analyses of the combination have been carried out. Total static dipole moment, mean polarizability, anisotropy of the polarizability, mean first-order hyperpolarizability have also been attained.
Keywords
Modified multiwalled carbon nanotube carbon paste electrode, Lead (II); Ceftriaxone complex; Potentiometry, DFT studies, NLO properties
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