Efficient RhB degradation and inactivation of S. aureus with molecular docking studies of PVP and GO assisted BaO nanorods

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials Pub Date : 2025-03-16 DOI:10.1016/j.diamond.2025.112213

Hamza Aziz , Muhammad Imran , Ali Haider , Anum Shahzadi , Muhammad Mustajab , Anwar Ul-Hamid , Hameed Ullah , Ayesha Hussain , Hisham S.M. Abd-Rabboh , Muhammad Ikram

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Abstract

Coprecipitation method was used to synthesize BaO and (2 and 4 wt%) of GO/PVP doped BaO nanorods (NRs) as potential catalysts for wastewater treatment. This research aims to enhance porosity, and surface area through surface functionalized GO/PVP doped NRs for antimicrobial potential and degradation of rhodamine B (RhB). Efficient RhB degradation was observed in an acidic medium (95.52 %) using sodium borohydride (NaBH₄) in absence of light. The agar well diffusion method was used to investigate antimicrobial effectiveness by measuring inhibition zones at high (8.45 ± 0.04 mm) and low (7.05 ± 0.04 mm) concentrations. Molecular docking analysis was performed to establish a theoretical basis for bactericidal effects of BaO, PVP doped BaO, and GO/PVP doped BaO NRs against deoxyribonucleic acid (DNA) gyrase in S. aureus. Docking investigations demonstrate that these doped NRs showed the potential as inhibitors of DNA gyrase.

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来源期刊

Diamond and Related Materials 工程技术-材料科学：综合

CiteScore

6.00

自引率

14.60%

发文量

702

审稿时长

2.1 months

期刊介绍： DRM is a leading international journal that publishes new fundamental and applied research on all forms of diamond, the integration of diamond with other advanced materials and development of technologies exploiting diamond. The synthesis, characterization and processing of single crystal diamond, polycrystalline films, nanodiamond powders and heterostructures with other advanced materials are encouraged topics for technical and review articles. In addition to diamond, the journal publishes manuscripts on the synthesis, characterization and application of other related materials including diamond-like carbons, carbon nanotubes, graphene, and boron and carbon nitrides. Articles are sought on the chemical functionalization of diamond and related materials as well as their use in electrochemistry, energy storage and conversion, chemical and biological sensing, imaging, thermal management, photonic and quantum applications, electron emission and electronic devices. The International Conference on Diamond and Carbon Materials has evolved into the largest and most well attended forum in the field of diamond, providing a forum to showcase the latest results in the science and technology of diamond and other carbon materials such as carbon nanotubes, graphene, and diamond-like carbon. Run annually in association with Diamond and Related Materials the conference provides junior and established researchers the opportunity to exchange the latest results ranging from fundamental physical and chemical concepts to applied research focusing on the next generation carbon-based devices.