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退火氧化锡纳米结构的光催化、杀菌及分子对接分析

Photocatalytic, Bactericidal and Molecular Docking Analysis of Annealed Tin Oxide Nanostructures.

作者信息

Sharif Muhammad Shahid, Aqeel Muhammad, Haider Ali, Naz Sadia, Ikram Muhammad, Ul-Hamid Anwar, Haider Junaid, Aslam Irfan, Nazir Asma, Butt Alvina Rafiq

机构信息

Physics Department, Lahore Garrison University, Lahore, 54000, Pakistan.

Solar Cell Applications Research Lab, Department of Physics, Government College University Lahore, Lahore, 54000, Punjab, Pakistan.

出版信息

Nanoscale Res Lett. 2021 Feb 10;16(1):33. doi: 10.1186/s11671-021-03495-1.

DOI:10.1186/s11671-021-03495-1
PMID:33569698
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7876220/
Abstract

Nanosized tin oxide was fabricated with a simple and cost-effective precipitation technique and was analyzed by performing x-ray powder diffraction (XRD), Fourier-transform infrared (FT-IR) spectroscopy, high-resolution transmission electron (HR-TEM) microscopy, energy-dispersive x-ray (EDX) and UV-Vis spectroscopy. The XRD results revealed that tin oxide particles possessed typical orthorhombic structure and exhibited improved crystallinity with annealing. Calcination at 250 °C produced predominantly orthorhombic SnO which transformed to SnO at higher temperatures of 500 and 750 °C. HRTEM and FESEM images showed existence of agglomeration within the particles of tin oxide. The absorption was found to increase up to a certain annealing temperature followed by a decrease, which was recorded via UV-Vis spectroscopy. The effect of annealing temperature on dye decomposition behavior of synthesized photocatalysts was studied. It was noted that annealing temperature affects the size of synthesized particles, band gap width and photoactivity of tin oxide. The sample prepared at 500 °C followed first-order kinetics and exhibited maximum photocatalytic reactivity toward methylene blue. The experimental results obtained from the present study indicate that SnO is a promising and beneficial catalyst to remove contaminants from wastewater and environment. The antimicrobial evaluation of SnO annealed at 500 °C against selected targets such as E. coli and S. aureus depicted significant inhibition zones in comparison with 250 and 750 °C samples. Furthermore, molecular docking predictions of SnO nanoparticles (NPs) were performed against active pocket of β-lactamase and DNA gyrase enzyme belonging to cell wall and nucleic acid biosynthetic pathway, respectively. The fabricated NPs showed good binding score against β-lactamase of both E. coli (- 5.71 kcal/mol) and S. aureus (- 11.83 kcal/mol) alongside DNA gyrase (- 9.57 kcal/mol; E. coli and - 8.61 kcal/mol; S. aureus). These in silico predictions suggested SnO NPs as potential inhibitors for selected protein targets and will facilitate to have a clear understanding of their mechanism of action that may contribute toward new antibiotics discovery.

摘要

采用简单且经济高效的沉淀技术制备了纳米氧化锡,并通过X射线粉末衍射(XRD)、傅里叶变换红外(FT-IR)光谱、高分辨率透射电子(HR-TEM)显微镜、能量色散X射线(EDX)和紫外可见光谱对其进行了分析。XRD结果表明,氧化锡颗粒具有典型的正交结构,并且随着退火处理结晶度得到改善。在250°C下煅烧主要生成正交晶系的SnO,在500和750°C的较高温度下会转变为SnO₂。高分辨透射电子显微镜(HRTEM)和场发射扫描电子显微镜(FESEM)图像显示氧化锡颗粒内部存在团聚现象。通过紫外可见光谱记录发现,吸收在达到一定退火温度之前增加,之后降低。研究了退火温度对合成光催化剂染料分解行为的影响。注意到退火温度会影响合成颗粒的尺寸、氧化锡的带隙宽度和光活性。在500°C制备的样品遵循一级动力学,并且对亚甲基蓝表现出最大的光催化反应活性。本研究获得的实验结果表明,SnO₂是一种有前景且有益的催化剂,可用于去除废水中和环境中的污染物。对在500°C退火的SnO₂针对大肠杆菌和金黄色葡萄球菌等选定目标的抗菌评估表明,与在250°C和750°C退火的样品相比,其具有明显的抑菌圈。此外,分别针对属于细胞壁和核酸生物合成途径的β-内酰胺酶和DNA促旋酶的活性口袋进行了SnO₂纳米颗粒(NPs)的分子对接预测。制备的纳米颗粒对大肠杆菌(-5.71 kcal/mol)和金黄色葡萄球菌(-11.83 kcal/mol)的β-内酰胺酶以及DNA促旋酶(大肠杆菌为-9.57 kcal/mol;金黄色葡萄球菌为-8.61 kcal/mol)均显示出良好的结合分数。这些计算机模拟预测表明SnO₂纳米颗粒是选定蛋白质靶点的潜在抑制剂,将有助于清楚了解其作用机制,这可能有助于发现新的抗生素。

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