Multiscale modeling-driven synthesis of Cu40Zn24Ni24Ag8Hg4 high entropy alloy with antibacterial properties

IF 5.45 Q1 Physics and Astronomy Nano-Structures & Nano-Objects Pub Date : 2024-10-25 DOI:10.1016/j.nanoso.2024.101391

Prince Sharma , Sahil Rohila , Uzma Hasan , P. Hari Krishna , Chima Ugwuegbu , Abhishek Tiwari , Manish Joshi

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Abstract

High-entropy alloys (HEAs) are promising materials across various sectors, yet their potential as antibacterial powders remain underexplored. In this study, we synthesized a novel Cu-Zn-Ni-Ag-Hg-based HEA using CALPHAD and DFT methods coupled with mechanical alloying. The HEA's antibacterial efficacy against Staphylococcus aureus (S. aureus) and Escherichia coli (E. Coli) was systematically evaluated. Computational and experimental analyses confirmed the HEA's single-phase FCC structure. Mechanical alloying for 8 h facilitated the formation of the single-phase HEA, with Ni and Cu initially dissolving into each other, followed by Zn, Ag, and Hg. Antibacterial testing demonstrated minimum inhibitory concentrations of 400 µg/mL for S. aureus and 600 µg/mL for E. coli, highlighting the broad-spectrum antibacterial properties of the synthesized HEA. These results underscore the potential of HEAs in advancing antibacterial materials for biomedical applications.

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多尺度建模驱动合成具有抗菌性能的 Cu40Zn24Ni24Ag8Hg4 高熵合金

高熵合金（HEAs）是各行各业都很有前景的材料，但其作为抗菌粉末的潜力仍未得到充分开发。在本研究中，我们采用 CALPHAD 和 DFT 方法以及机械合金化技术合成了一种新型铜-锌-镍-镁-汞基高熵合金。我们系统地评估了 HEA 对金黄色葡萄球菌和大肠杆菌的抗菌效果。计算和实验分析证实了 HEA 的单相 FCC 结构。8 小时的机械合金化促进了单相 HEA 的形成，镍和铜开始相互溶解，随后是锌、银和汞。抗菌测试表明，金黄色葡萄球菌的最低抑菌浓度为 400 µg/mL，大肠杆菌的最低抑菌浓度为 600 µg/mL，这凸显了合成 HEA 的广谱抗菌特性。这些结果凸显了 HEA 在推动生物医学应用抗菌材料方面的潜力。

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来源期刊

Nano-Structures & Nano-Objects Physics and Astronomy-Condensed Matter Physics

CiteScore

9.20

自引率

0.00%

发文量

审稿时长

22 days

期刊介绍： Nano-Structures & Nano-Objects is a new journal devoted to all aspects of the synthesis and the properties of this new flourishing domain. The journal is devoted to novel architectures at the nano-level with an emphasis on new synthesis and characterization methods. The journal is focused on the objects rather than on their applications. However, the research for new applications of original nano-structures & nano-objects in various fields such as nano-electronics, energy conversion, catalysis, drug delivery and nano-medicine is also welcome. The scope of Nano-Structures & Nano-Objects involves: -Metal and alloy nanoparticles with complex nanostructures such as shape control, core-shell and dumbells -Oxide nanoparticles and nanostructures, with complex oxide/metal, oxide/surface and oxide /organic interfaces -Inorganic semi-conducting nanoparticles (quantum dots) with an emphasis on new phases, structures, shapes and complexity -Nanostructures involving molecular inorganic species such as nanoparticles of coordination compounds, molecular magnets, spin transition nanoparticles etc. or organic nano-objects, in particular for molecular electronics -Nanostructured materials such as nano-MOFs and nano-zeolites -Hetero-junctions between molecules and nano-objects, between different nano-objects & nanostructures or between nano-objects & nanostructures and surfaces -Methods of characterization specific of the nano size or adapted for the nano size such as X-ray and neutron scattering, light scattering, NMR, Raman, Plasmonics, near field microscopies, various TEM and SEM techniques, magnetic studies, etc .