Browsing by Author "FA21-R06-020"

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    Electro-Opto Multi-Functional Imprinted Pencil Graphite Sensor for Monitoring of Gemcitabine
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-26) Shaista Ijaz Khan; FA21-R06-020; Dr. Akhtar Hayat; LHR TP 8450
    In both research laboratories and. hospitals, there is a high demand for the development of quick, easy to uses and simple procedures for gemcitabine, monitoring in biological samples and pharmaceutical formulation. This study reports the simplest, quick, and direct electro-opto method for gemcitabine monitoring using a molecularly imprinted pencil graphite electrode. An electro-optical multifunctional nanoprobe (BSA /Ag NPs) was used to give electrochemical as well as optical signal for GMT monitoring. Then, electrochemical polymerization was used to create an MIP network in situ, GMT used as template and pyrrole as monomer. Differential pulse voltammetry (DPV) investigation revealed that when GMT concentration increases, the peak signal of Ag oxidation also increases. whereas UV-visible spectrum shows with increase in GMT concentration the optical response of nanoprobe decreased. The results of DFT simulations depict the gemcitabine interacted polypyrrole (PPy) complexes have sufficient adsorption energies (-7.67 to -10.42 kcal/mol) and are thermodynamically stable. A reduction in HOMO-LUMO energy gaps (2.27-2.45 eV) is observed with remarkable electrical conductivity than pristine polypyrrole (3.66 eV). The analyses of other reactivity parameters and molecular electrostatic potential suggest that drug delivery properties of polypyrrole have been enhanced. Furthermore, molecular docking results of gemcitabine against the bovine serum albumin (BSA=3V03) reflect that gemcitabine interacted BSA complex has remarkable docking energies (-5.8 to -6.7 kcal/mol) and can exhibit biological activity. This method enabled the measurement of GMT to cover the range from 5 to 200 μM in addition to a remarkably low detection limit of 3.6 μM. Additionally, when monitoring GMT for a period of 6 weeks, the sensor showed great repeatability, reusability, anti-interference capability, and maintained excellent stability. The proposed sensor ultimately demonstrated