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QSPR analysis can be used in a variety of applications, such as drug discovery, materials science, and environmental chemistry. For example, QSPR models can be used to predict the toxicity of new chemicals, to design more effective drugs, or to optimize the properties of materials for specific applications. Phenolic compounds act as anti-oxidants, anti-carcinogenic, and anti-bacterial agents present in Moringa oleifera. These Phenolic compounds have significant antioxidant properties as they can scavenge free radicals, slow the aging process, and improve glucose uptake in muscles. They are also used to prevent the accumulation of lipids in the liver and subsequently prevent fatty liver disease, protect kidneys, prevent cancer, prevent whitening skin, chemopreventive for cancer, induce apoptosis in ovarian cancer, protect kidneys, decrease pro-inflammatory enzymes, and increase antioxidants enzymes. Furthermore, phenolic compounds inhibit enzymes linked to diabetes type-2 and they can be used to cure diabetes. Owing to the significance of these phenolic compounds, we carried out QSPR analysis using degree-based indices to know the physical characteristics affiliated with them. The outcomes indicate that these phenolic compounds could be investigated further by pharmacists and chemists when designing drugs using these topological indices values. Since the correlation for the topological indices has been discovered, positively correlated compounds may be considered for the combination of novel drug designs. Also, the computed results are useful to predict the physical properties of the phenolic compounds. [ABSTRACT FROM AUTHOR]

Timely detection of creatinine (Cre), a biomarker for kidney function and muscle health, is crucial for the diagnosis of chronic kidney disease (CKD), particularly in point-of-care (POC) settings. In this study, we present the design of Cre-imprinted, conductive polyaniline/Nb2O5 nanostructures, termed Cre-PAni/Nb2O5, as an electrochemical interface for the rapid quantification of Cre in human saliva. Cre-PAni/Nb2O5 is synthesized via in situ oxidative polymerization of diphenylamine-cross-linked aniline on the surface of monoclinic Nb2O5 nanoparticles and fabricated on screen-printed Au disposable electrodes to develop cost-efficient Cre-PAni/Nb2O5 sensors. The microscopic characterizations of the Cre-PAni/Nb2O5 sensor demonstrate the composite architecture of the synthesized Cre-PAni/Nb2O5 nanoparticles and a granular surface morphology with irregular spherical shapes. Electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) reveal that Cre-PAni/Nb2O5 possesses outstanding electrocatalytic properties, with lower interfacial resistance and superior electron transfer kinetics, compared to pristine, nonimprinted PAni and PAni/Nb2O5 as well as Cre-PAni sensors. Differential pulse voltammetry (DPV) confirms an increase in the electrooxidation current with rising Cre concentrations (0–1000 nM). Notably, the Cre-PAni/Nb2O5 sensor displays 3.68 μAcm–2 nM–1 sensitivity, with detection and quantification limits of 127 pM and 385 pM, respectively. Furthermore, the sensor exhibits remarkable Cre selectivity and 97.41 ± 2.83% Cre recovery in real saliva samples. Hence, disposable Cre-PAni/Nb2O5 sensors enable routine monitoring of kidney function and early CKD diagnosis through economical, noninvasive POC testing. [ABSTRACT FROM AUTHOR]