Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticles
Abstract The advancement of nanotechnology and the growing demand for environmentally sustainable processes have fueled interest in green synthesis methods. In this research, copper-doped zinc oxide nanoparticles (Cu: ZnO NPs) were synthesized using a microwave-assisted approach, employing a bio-ext...
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Nature Portfolio
2025-06-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-025-03922-8 |
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| author | Abisha Meji M Usha D Ashwin B.M Milon Selvam Dennison |
| author_facet | Abisha Meji M Usha D Ashwin B.M Milon Selvam Dennison |
| author_sort | Abisha Meji M |
| collection | DOAJ |
| description | Abstract The advancement of nanotechnology and the growing demand for environmentally sustainable processes have fueled interest in green synthesis methods. In this research, copper-doped zinc oxide nanoparticles (Cu: ZnO NPs) were synthesized using a microwave-assisted approach, employing a bio-extract derived from Pistia Stratiotes (PS) leaves as a reducing agent. Comprehensive characterization through UV-Visible spectroscopy, PL, FTIR, SEM with EDS, TEM, DLS, XRD and XPS confirmed the formation, optical and structural features of the synthesized NPs. SEM and TEM images revealed spherical and nanorod-like morphologies, with particle sizes ranging from 15 nm to 65 nm and a tendency to agglomerate. Density Functional Theory (DFT) simulations using Quantum Espresso indicated a band gap narrowing to 3.0 eV after copper doping. Biologically, the Cu: ZnO NPs exhibited strong antibacterial activity against Candida albicans (16.3–17.5 mm), Staphylococcus aureus (18.4–21.5 mm), and Escherichia coli (19–21.6 mm). Additionally, the NPs showed promising anticancer potential against SK-MEL-28 melanoma cells, with an IC50 value of 30.53 µg/mL. Overall, this research demonstrates an eco-friendly and efficient route for fabricating Cu: ZnO NPs with significant antimicrobial and anticancer properties, emphasizing their potential for future biomedical applications. |
| format | Article |
| id | doaj-art-0fc518d374e740f2a4b56e0118d5efec |
| institution | OA Journals |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Nature Portfolio |
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| series | Scientific Reports |
| spelling | doaj-art-0fc518d374e740f2a4b56e0118d5efec2025-08-20T02:31:04ZengNature PortfolioScientific Reports2045-23222025-06-0115112610.1038/s41598-025-03922-8Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticlesAbisha Meji M0Usha D1Ashwin B.M2Milon Selvam Dennison3Department of Physics and Research Centre, Women’s Christian College, Nagercoil, Affiliated to Manonmaniam Sundaranar UniversityDepartment of Physics and Research Centre, Women’s Christian College, Nagercoil, Affiliated to Manonmaniam Sundaranar UniversityPG Department of Chemistry, Pioneer Kumaraswamy CollegeDepartment of Mechanical Engineering, School of Engineering and Applied Sciences, Kampala International UniversityAbstract The advancement of nanotechnology and the growing demand for environmentally sustainable processes have fueled interest in green synthesis methods. In this research, copper-doped zinc oxide nanoparticles (Cu: ZnO NPs) were synthesized using a microwave-assisted approach, employing a bio-extract derived from Pistia Stratiotes (PS) leaves as a reducing agent. Comprehensive characterization through UV-Visible spectroscopy, PL, FTIR, SEM with EDS, TEM, DLS, XRD and XPS confirmed the formation, optical and structural features of the synthesized NPs. SEM and TEM images revealed spherical and nanorod-like morphologies, with particle sizes ranging from 15 nm to 65 nm and a tendency to agglomerate. Density Functional Theory (DFT) simulations using Quantum Espresso indicated a band gap narrowing to 3.0 eV after copper doping. Biologically, the Cu: ZnO NPs exhibited strong antibacterial activity against Candida albicans (16.3–17.5 mm), Staphylococcus aureus (18.4–21.5 mm), and Escherichia coli (19–21.6 mm). Additionally, the NPs showed promising anticancer potential against SK-MEL-28 melanoma cells, with an IC50 value of 30.53 µg/mL. Overall, this research demonstrates an eco-friendly and efficient route for fabricating Cu: ZnO NPs with significant antimicrobial and anticancer properties, emphasizing their potential for future biomedical applications.https://doi.org/10.1038/s41598-025-03922-8AntibacterialAnticancerAntifungalCharacterizationCu-doped ZnOGreen synthesis |
| spellingShingle | Abisha Meji M Usha D Ashwin B.M Milon Selvam Dennison Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticles Scientific Reports Antibacterial Anticancer Antifungal Characterization Cu-doped ZnO Green synthesis |
| title | Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticles |
| title_full | Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticles |
| title_fullStr | Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticles |
| title_full_unstemmed | Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticles |
| title_short | Integrating microwave-assisted green synthesis, DFT simulations, and biological activity evaluation of copper-doped zinc oxide nanoparticles |
| title_sort | integrating microwave assisted green synthesis dft simulations and biological activity evaluation of copper doped zinc oxide nanoparticles |
| topic | Antibacterial Anticancer Antifungal Characterization Cu-doped ZnO Green synthesis |
| url | https://doi.org/10.1038/s41598-025-03922-8 |
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