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Computational simulation and fabrication of a simple, rapid and sensitive dopamine electrochemical sensor based on recycled biomass.

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Title: Computational simulation and fabrication of a simple, rapid and sensitive dopamine electrochemical sensor based on recycled biomass.
Authors: Ike, Blessing Wisdom1,2 (AUTHOR), Alake, John1 (AUTHOR), Akintemi, Eric O.3 (AUTHOR), Adu, Darko Kwabena1 (AUTHOR), Nate, Zondi4 (AUTHOR), Chauhan, Ruchika1 (AUTHOR), Miya, Lungelo1 (AUTHOR), Karpoormath, Rajshekhar1 (AUTHOR) karpoormath@ukzn.ac.za, Faya, Mbuso1,2 (AUTHOR) FayaA@ukzn.ac.za
Source: Journal of Molecular Structure. Nov2024, Vol. 1315, pN.PAG-N.PAG. 1p.
Subjects: Charge transfer kinetics, Fourier transform infrared spectroscopy, Electrochemical sensors, Forensic sciences, Band gaps
Abstract: • A biomass sensor for highly selective and rapid detection of dopamine was designed, and optimal electrochemical interaction was predicted via a well-researched computational electroanalysis. • Computer modelling of the sensor's sensitivity, selectivity, and response time with accurate analyte mass transport, charge transfer kinetics, and interfacial interactions. • Simple, fast response, low detection limit, short sample preparation time, high sensitivity and selectivity. • Determination of dopamine in animal serum, human saliva, and urine samples. • Potential for biological samples and clinical analysis of dopamine in the forensic domain. Dopamine addiction brought on by recreational or misuse can result in neurological issues that have significant societal and economic consequences. Thus, a precise, sensitive, and rapid method for measuring dopamine is necessary for monitoring treatment and forensic investigations. In this research, an electrochemical sensor based on recycled biomass was fabricated for the sensitive detection of dopamine. The synthesised recycled nanocomposite was characterised by energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and X-ray diffraction (XRD). A computational simulation of the materials was carried out to predict the potential of the composite. A DFT was used to obtain a global hardness value of 0.28 eV, indicating the chemical reactiveness and its easy activation for adsorption, as supported by the energy gap value of 0.57 eV. Adsorption in water, solvent, ΔH, ΔS, and ΔG exhibits thermodynamic parameters of -2.89 kCal/mol, -72.97 Cal/mol/K, and 18.86 kCal/mol, indicating more ordered endergonic and exothermic processes. Electrochemical investigations using DPV and CV revealed a limit of detection (LOD) of 0.003 μM. The potential utility of the modified electrode was assessed in human urine, serum, and saliva. The research showed the possible applicability of the sensor for forensic, diagnostic, and quality control purposes. [Display omitted] [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
Description
Abstract:• A biomass sensor for highly selective and rapid detection of dopamine was designed, and optimal electrochemical interaction was predicted via a well-researched computational electroanalysis. • Computer modelling of the sensor's sensitivity, selectivity, and response time with accurate analyte mass transport, charge transfer kinetics, and interfacial interactions. • Simple, fast response, low detection limit, short sample preparation time, high sensitivity and selectivity. • Determination of dopamine in animal serum, human saliva, and urine samples. • Potential for biological samples and clinical analysis of dopamine in the forensic domain. Dopamine addiction brought on by recreational or misuse can result in neurological issues that have significant societal and economic consequences. Thus, a precise, sensitive, and rapid method for measuring dopamine is necessary for monitoring treatment and forensic investigations. In this research, an electrochemical sensor based on recycled biomass was fabricated for the sensitive detection of dopamine. The synthesised recycled nanocomposite was characterised by energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and X-ray diffraction (XRD). A computational simulation of the materials was carried out to predict the potential of the composite. A DFT was used to obtain a global hardness value of 0.28 eV, indicating the chemical reactiveness and its easy activation for adsorption, as supported by the energy gap value of 0.57 eV. Adsorption in water, solvent, ΔH, ΔS, and ΔG exhibits thermodynamic parameters of -2.89 kCal/mol, -72.97 Cal/mol/K, and 18.86 kCal/mol, indicating more ordered endergonic and exothermic processes. Electrochemical investigations using DPV and CV revealed a limit of detection (LOD) of 0.003 μM. The potential utility of the modified electrode was assessed in human urine, serum, and saliva. The research showed the possible applicability of the sensor for forensic, diagnostic, and quality control purposes. [Display omitted] [ABSTRACT FROM AUTHOR]
ISSN:00222860
DOI:10.1016/j.molstruc.2024.138988