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    A molecular insight into the development of sensitive glucometers along with DFT investigation of glucose adsorption by a beryllium oxide particle
    (Elsevier, 2024) Saadh, M. J.; Addulrahman, T. S.; Narayanan, J.; Sivapriya, T.; Sridevi, R.; Mumtaz, H.; Soliyeva, M.
    A molecular insight into the sensitive glucometers along with examining the adsorption of glucose (GLU) with the assistance of a representative beryllium-oxide (BeO)-particle (BOP) was provided in this work. Quantum density functional theory (DFT) calculations were performed for optimizing the models and obtaining their required information. The results indicated the possibility of formations of six interacting configurations of GLU@BOP complexes, I- VI, with the existence of H & ctdot;O and O & ctdot;Be interactions from GLU to BOP, with a detected mode of non-classical hydrogen bond in two of the complexes. The results of interaction strengths and frontier molecular orbitals variations indicated possibilities of formations of reasonable complexes. The existence of non-covalent physical interactions helped approach a recovery time for employing the BOP in a re-adsorption process besides indicating different conductance levels. Consequently, the models of GLU@BOP complexes were found suitable for working in a sensitive adoption of GLU for developing sensitive glucometers.