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<p>The widespread use of antibiotics such as amoxicillin (AMX) in healthcare and animal treatment has led to environmental contamination, making its detection in water systems crucial. In this study, silver meta-vanadate (β-AgVO<sub>3</sub>) was synthesized via a simple and cost-effective solid-state reaction and characterized by means of X-ray diffraction (XRD), and scanning electron microscopy (SEM), confirming its purity and rod-like morphology. The elaborated material was utilized as a modifier in a carbon paste conductor (β-AgVO<sub>3</sub>@CPE) for the electrochemical sensing of AMX by cyclic voltammetry (CV) and square wave voltammetry (SWV). Under adjusted settings (pH = 4, modifier content = 5% w/w, deposition time = 20&#xa0;s), the modified electrode exhibited a significant enhancement in electrocatalytic activity, achieving a sensing limit (LOD) of 0.731 µM and a quantification limit (LOQ) of 2.437 µM. The calibration curve demonstrated a linear response within the concentration ranges 0.24–1.95 µM and 7.81–500 µM, with correlation coefficients of 0.992 and 0.969, respectively. Moreover, molecular dynamics simulations (MDS) were implemented to examine the surface interaction mechanism of AMX onto the β-AgVO<sub>3</sub> surface. The adsorption energy on the (100) plane was found to be − 56.655&#xa0;kcal/mol, indicating a strong and spontaneous interaction. The present investigation incorporates both experimental electroanalysis and MDS to illuminate the strong and specific interactions between AMX and the β-AgVO<sub>3</sub> surface, which contribute to its greater sensitivity. This dual methodology is rarely described and delivers synergistic visions into the mechanism of detection. This work introduces β-AgVO<sub>3</sub> as a novel, selective, and economically sustainable material for emerging next-generation sensors for antibiotic monitoring in pharmaceutical and environmental applications.</p>

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A Synergistic Experimental–Computational Approach for Efficient Amoxicillin Electrodetection Using a Solid–State Synthesized β-AgVO3

  • 期刊论文

  • 发表日期：

    2025年8月8日

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  • Atika Ayad,
  • Lina Hermouche,
  • Ibtissam EL Abdouni,
  • Elhassan Benhsina,
  • Abdelqader El Guerraf,
  • Souad El Hajjaji

摘要

The widespread use of antibiotics such as amoxicillin (AMX) in healthcare and animal treatment has led to environmental contamination, making its detection in water systems crucial. In this study, silver meta-vanadate (β-AgVO3) was synthesized via a simple and cost-effective solid-state reaction and characterized by means of X-ray diffraction (XRD), and scanning electron microscopy (SEM), confirming its purity and rod-like morphology. The elaborated material was utilized as a modifier in a carbon paste conductor (β-AgVO3@CPE) for the electrochemical sensing of AMX by cyclic voltammetry (CV) and square wave voltammetry (SWV). Under adjusted settings (pH = 4, modifier content = 5% w/w, deposition time = 20 s), the modified electrode exhibited a significant enhancement in electrocatalytic activity, achieving a sensing limit (LOD) of 0.731 µM and a quantification limit (LOQ) of 2.437 µM. The calibration curve demonstrated a linear response within the concentration ranges 0.24–1.95 µM and 7.81–500 µM, with correlation coefficients of 0.992 and 0.969, respectively. Moreover, molecular dynamics simulations (MDS) were implemented to examine the surface interaction mechanism of AMX onto the β-AgVO3 surface. The adsorption energy on the (100) plane was found to be − 56.655 kcal/mol, indicating a strong and spontaneous interaction. The present investigation incorporates both experimental electroanalysis and MDS to illuminate the strong and specific interactions between AMX and the β-AgVO3 surface, which contribute to its greater sensitivity. This dual methodology is rarely described and delivers synergistic visions into the mechanism of detection. This work introduces β-AgVO3 as a novel, selective, and economically sustainable material for emerging next-generation sensors for antibiotic monitoring in pharmaceutical and environmental applications.