Abstract
As significant efforts are invested in improving glucose smart biosensors, hyperglycemia (high blood glucose) is poised to be one of the most serious healthcare concerns in the coming decades. Accordingly, a graphene-based hybrid nanocomposite of graphene oxide (GO)/tungsten oxide (WO3)/polyvinylidene fluoride (PVDF) for glucose sensing was designed. Density functional theory (DFT) at the B3LYP/LanL2DZ level of theory was used to optimize the proposed structures. The electronic properties of the designed sensor in terms of the total dipole moment (TDM), HOMO/LUMO band gap energy (ΔE), and molecular electrostatic potential (MESP) were investigated. The results showed that the model molecule representing GO interacted with WO3 through the carboxyl group (COOH) and possessed the highest TDM of 5.6912 Debye and lowest ΔE of 0.0155 eV. Additionally, the incorporation of PVDF into the GO/WO3 model molecule increased the TDM to 13.2549 Debye and reduced ΔE to 0.0105 eV. Moreover, MESP showed that the interaction of PVDF with the GO/WO3 model molecule increased the reactivity of GO/WO3 molecule. The adsorption of the glucose molecule on the GO/WO3/PVDF model enhanced the reactivity of the GO/WO3/PVDF molecule as TDM increased to 20.5130 Debye, while ΔE slightly increased to 0.0120 eV. Because of their low synthesis costs, GO, WO3, and PVDF-based biosensors are good candidates for glucose sensing.
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The authors would like to express their gratitude to the Molecular Spectroscopy and Modeling Unit at Spectroscopy Department, National Research Centre, Egypt, for the computational facilities provided in this work.
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MS: Build up the model molecules, conduct the calculations, write the manuscript and analyse the data. RMK: contribute in writing and analyzing data and supervise the work. AAS: Contribute to the problem assignment, revise the manuscript and supervise the work. MAI: Assign the problem, supervise the conducted work, contribute to analyzing data; receive the fund and supervise the work. All authors have read and agreed to the published version of the manuscript.
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Sobhy, M., Khafagy, R.M., Soliman, A.A. et al. Design of biosensor based on graphene oxide/WO3/polyvinylidene fluoride. Opt Quant Electron 55, 789 (2023). https://doi.org/10.1007/s11082-023-04975-7
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DOI: https://doi.org/10.1007/s11082-023-04975-7