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用于四环素吸附的氧化锌纳米颗粒的绿色合成:实验见解与密度泛函理论研究

Green Synthesis of Zinc Oxide Nanoparticles for Tetracycline Adsorption: Experimental Insights and DFT Study.

作者信息

Alshahateet Solhe F, Al-Trawneh Salah A, Er-Rajy Mohammed, Zerrouk Mohammed, Azzaoui Khalil, Al-Tawarh Waad M, Hammouti Belkheir, Salghi Rachid, Sabbahi Rachid, Alanazi Mohammed M, Rhazi Larbi

机构信息

Department of Chemistry, Faculty of Science, Mutah University, Mutah, Karak 61710, Jordan.

LIMAS Laboratory, Faculty of Sciences Dhar El Mahraz, Sidi Mohamed Ben Abdellah University, Fez 30000, Morocco.

出版信息

Plants (Basel). 2024 Dec 2;13(23):3386. doi: 10.3390/plants13233386.

DOI:10.3390/plants13233386
PMID:39683179
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11644562/
Abstract

An eco-friendly approach was used to fabricate zinc oxide nanoparticles (ZnO NPs) using thyme, L., leaf extract. The produced ZnO nanoparticles were characterized by XRD and SEM analysis. The ZnO NPs showed remarkable adsorption efficiency for tetracycline (TC) from water systems, with a maximum removal rate of 95% under optimal conditions (10 ppm, 0.10 g of ZnO NPs, pH 8.5, and 30 min at 25 °C). The adsorption kinetics followed the pseudo-2nd-order model, and the adsorption process fitted the Temkin isotherm model. The process was spontaneous, endothermic, and primarily chemisorptive. Quantum chemistry calculations, utilizing electrostatic potential maps and HOMO-LUMO gap analysis, have confirmed the stability of the TC clusters. This study suggests that green synthesis using plant extracts presents an opportunity to generate nanoparticles with properties suitable for real-world applications.

摘要

采用一种环保方法,利用百里香叶提取物制备氧化锌纳米颗粒(ZnO NPs)。通过XRD和SEM分析对所制备的ZnO纳米颗粒进行了表征。ZnO NPs对水体系中的四环素(TC)表现出显著的吸附效率,在最佳条件下(10 ppm、0.10 g ZnO NPs、pH 8.5以及25℃下30分钟)最大去除率为95%。吸附动力学遵循准二级模型,吸附过程符合Temkin等温线模型。该过程是自发的、吸热的且主要是化学吸附。利用静电势图和HOMO-LUMO能隙分析的量子化学计算证实了TC簇的稳定性。本研究表明,使用植物提取物进行绿色合成提供了一个机会,可生成具有适合实际应用性质的纳米颗粒。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dd90/11644562/8ea79c3ff9df/plants-13-03386-g015.jpg
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