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<p>The presence of cationic dye in contaminated water effectively increases the complexity of processing. The catalytic efficacy of semiconductor nanoparticles for dye reduction has emerged as a viable strategy. The rising need for effective catalysts and antibacterial agents requires the advancement of advanced nanostructures. In this context, the co-precipitation method was employed to prepare varying concentrations (2 and 4 wt. %) of silver (Ag) with a fixed amount of polyacrylic acid-doped zirconium oxide nanostructures (PAA-ZrO<sub>2</sub> NSs). This research focused on increasing the catalytic RhB reduction and antibacterial activities of ZrO<sub>2</sub> with the help of dopants (Ag and PAA). Comprehensive characterizations XRD, SAED, PL, UV–Vis, FTIR, and TEM analysis confirmed the tetragonal structure, polycrystalline behavior, decreased recombination rate, enhanced bandgap energy, functional group presence, and agglomerated nanoparticles like morphology of Ag/PAA-ZrO<sub>2</sub>. Among all samples, 4% Ag/PAA-ZrO<sub>2</sub> NSs revealed significant degradation potency (99.42%) in the basic medium as well as an effective antibacterial agent (inhibition zone 3.15&#xa0;mm). In silico analysis were comparable to the bactericidal activity of synthesized NSs i.e., ZrO<sub>2</sub>, PAA-doped ZrO<sub>2</sub>, and Ag/PAA-doped ZrO<sub>2</sub> against resistant <i>E. coli,</i> and validated their role as potential inhibitors for dihydrofolate reductase (DHFR), DNA gyrase, and enoyl-[acylcarrier-protein] reductase. This study proves to be efficient for RhB reduction in the basic medium as well as an antibacterial agent against <i>E. coli</i> bacteria.</p>

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Synergistic performance of silver/polyacrylic acid doped ZrO2 nanostructures for dye degradation and bactericidal behavior with molecular docking analysis

  • 期刊论文

  • 发表日期：

    2025年7月3日

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  • Muhammad Ikram,
  • Alvina Rafiq Butt,
  • Sidra Bano,
  • Sadia Naz,
  • Sawaira Moeen,
  • Anwar Ul-Hamid,
  • Ali Haider,
  • Amel Ayari-Akkari

摘要

The presence of cationic dye in contaminated water effectively increases the complexity of processing. The catalytic efficacy of semiconductor nanoparticles for dye reduction has emerged as a viable strategy. The rising need for effective catalysts and antibacterial agents requires the advancement of advanced nanostructures. In this context, the co-precipitation method was employed to prepare varying concentrations (2 and 4 wt. %) of silver (Ag) with a fixed amount of polyacrylic acid-doped zirconium oxide nanostructures (PAA-ZrO2 NSs). This research focused on increasing the catalytic RhB reduction and antibacterial activities of ZrO2 with the help of dopants (Ag and PAA). Comprehensive characterizations XRD, SAED, PL, UV–Vis, FTIR, and TEM analysis confirmed the tetragonal structure, polycrystalline behavior, decreased recombination rate, enhanced bandgap energy, functional group presence, and agglomerated nanoparticles like morphology of Ag/PAA-ZrO2. Among all samples, 4% Ag/PAA-ZrO2 NSs revealed significant degradation potency (99.42%) in the basic medium as well as an effective antibacterial agent (inhibition zone 3.15 mm). In silico analysis were comparable to the bactericidal activity of synthesized NSs i.e., ZrO2, PAA-doped ZrO2, and Ag/PAA-doped ZrO2 against resistant E. coli, and validated their role as potential inhibitors for dihydrofolate reductase (DHFR), DNA gyrase, and enoyl-[acylcarrier-protein] reductase. This study proves to be efficient for RhB reduction in the basic medium as well as an antibacterial agent against E. coli bacteria.