CuO 纳米粒子介导的牙鲆生物纳米复合材料的光催化和抗菌活性以及关于植物化合物选择性封端行为的 DFT 研究

IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Journal of Electronic Materials Pub Date : 2024-08-07 DOI:10.1007/s11664-024-11344-x
Jayanta Deka, Chinmoy Kalita, Rupak K. Sarma, Samir Thakur, Rajesh Dev Sarkar, Mrinal K. Debanath, Nirab C. Adhikary, Eeshankur Saikia
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引用次数: 0

摘要

在这项工作中,我们采用绿色化学方法,利用三水硝酸铜(II)和牙鲆(Alternanthera dentata)植物(ADLE)叶提取物合成了氧化铜纳米颗粒(NPs)。ADLE的紫外-可见光、傅立叶变换红外光谱和气相色谱-质谱(GC-MS)分析表明,ADLE中含有多种具有生物活性的植物化学成分。此外,我们还利用密度泛函理论(DFT)研究了氧化铜生物纳米复合材料的稳定性。对规范百分比最高的植物化学成分轨道能的研究表明,与其他植物化学成分相比,硫代二丙酸二硬脂酯与 CuO 之间的电荷转移更为主要。此外,与其他植物化合物相比,它的分子量最大。因此,这表明硫代二丙酸二硬脂酯对氧化铜纳米结构的稳定性起着重要作用。CuO NPs 的平均结晶尺寸为 7.38 nm,与 (110) 平面的平面间距为 0.27 nm。制备的纳米粒子被用于在紫外光下降解刚果红(CR)、孔雀石绿(MG)及其混合染料(MD)。在所有染料溶液中,我们使用 30 mgL-1 的 CuO NPs 实现了 96% 以上的降解,这是迄今为止最好的结果。此外,纳米粒子对肺炎克雷伯氏菌(ATCC1705)和金黄色葡萄球菌(ATCC6538p)等病原菌具有显著的活性,这表明 CuO NPs 的抗菌活性与其浓度成正比。
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Photocatalytic and Antibacterial Activities of Alternanthera dentata Mediated Bio-nanocomposite of CuO Nanoparticles and DFT Study on the Selective Capping Behavior of Phytocompounds

In this work, we have applied a green chemistry approach for the synthesis of CuO nanoparticles (NPs) using Copper (II) nitrate trihydrate and the leaf extract of Alternanthera dentata plant (ADLE). The UV-vis, FTIR and Gas Chromatography-Mass Spectrometry (GC-MS) analysis of ADLE revealed the presence of a wide variety of bioactive phytochemical constituents in ADLE. In addition to that, we have used the Density Functional Theory (DFT) in order to investigate the stability of CuO bio-nanocomposites. The study of orbital energies of phytochemicals with their highest norm percentage shows that the charge transfers between Distearyl Thiodipropionate to CuO are more dominant as compared to the other phytochemical constituents. Furthermore, it has the highest molecular weight compared to the other phytocompounds. Therefore, these reveal that Distearyl Thiodipropionate is responsible for the stability of CuO nanostructures. The average crystalline size of the CuO NPs is found to be 7.38 nm with 0.27 nm inter-planer spacing with the (110) plane. The fabricated nanoparticles are then employed for the degradation of Congo Red (CR), Malachite Green (MG) and their mixed dye (MD) in the presence of UV light. We have achieved more than 96% degradation with 30 mgL-1 of CuO NPs in the case of all dye solutions, which is the best result to date. Furthermore, the nanoparticles showed prominent activity against pathogenic bacteria like Klebsiella pneumoniae (ATCC1705) and Staphylococcus aureus (ATCC6538p) which signifies that the antibacterial activity of the CuO NPs is directly proportional to their concentration.

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来源期刊
Journal of Electronic Materials
Journal of Electronic Materials 工程技术-材料科学:综合
CiteScore
4.10
自引率
4.80%
发文量
693
审稿时长
3.8 months
期刊介绍: The Journal of Electronic Materials (JEM) reports monthly on the science and technology of electronic materials, while examining new applications for semiconductors, magnetic alloys, dielectrics, nanoscale materials, and photonic materials. The journal welcomes articles on methods for preparing and evaluating the chemical, physical, electronic, and optical properties of these materials. Specific areas of interest are materials for state-of-the-art transistors, nanotechnology, electronic packaging, detectors, emitters, metallization, superconductivity, and energy applications. Review papers on current topics enable individuals in the field of electronics to keep abreast of activities in areas peripheral to their own. JEM also selects papers from conferences such as the Electronic Materials Conference, the U.S. Workshop on the Physics and Chemistry of II-VI Materials, and the International Conference on Thermoelectrics. It benefits both specialists and non-specialists in the electronic materials field. A journal of The Minerals, Metals & Materials Society.
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