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新型 Ag/纤维素掺杂 CeO 量子点用于高效染料降解和杀菌活性的分子对接研究。

Novel Ag/cellulose-doped CeO quantum dots for efficient dye degradation and bactericidal activity with molecular docking study.

机构信息

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

Department of Physics, Riphah Institute of Computing and Applied Sciences (RICAS), Riphah International University, 14 Ali Road, Lahore, Pakistan.

出版信息

Carbohydr Polym. 2021 Oct 1;269:118346. doi: 10.1016/j.carbpol.2021.118346. Epub 2021 Jun 17.

Abstract

In the present study, the novel Ag/cellulose nanocrystal (CNC)-doped CeO quantum dots (QDs) with highly efficient catalytic performance were synthesized using one pot co-precipitation technique, which were then applied in the degradation of methylene blue and ciprofloxacin (MBCF) in wastewater. Catalytic activity against MBCF dye was significantly reduced (99.3%) for (4%) Ag dopant concentration in acidic medium. For Ag/CNC-doped CeO vast inhibition domain of G-ve was significantly confirmed as (5.25-11.70 mm) and (7.15-13.60 mm), while medium- to high-concentration of CNC levels were calculated for G + ve (0.95 nm, 1.65 mm), respectively. Overall, (4%) Ag/CNC-doped CeO revealed significant antimicrobial activity against G-ve relative to G + ve at both concentrations, respectively. Furthermore, in silico molecular docking studies were performed against selected enzyme targets dihydrofolate reductase (DHFR), dihydropteroate synthase (DHPS), and DNA gyrase belonging to folate and nucleic acid biosynthetic pathway, respectively to rationalize possible mechanism behind bactericidal potential of CNC-CeO and Ag/CNC-CeO.

摘要

在本研究中,采用一锅共沉淀技术合成了具有高效催化性能的新型 Ag/纤维素纳米晶(CNC)掺杂 CeO 量子点(QD),然后将其应用于废水 中亚甲基蓝和环丙沙星(MBCF)的降解。在酸性介质中,Ag 掺杂浓度为(4%)时,对 MBCF 染料的催化活性显著降低(99.3%)。对于 Ag/CNC 掺杂 CeO,G-ve 的显著抑制域被确认为(5.25-11.70 mm)和(7.15-13.60 mm),而 CNC 水平从中等到高浓度则分别计算为 G+ve(0.95nm,1.65mm)。总体而言,(4%)Ag/CNC 掺杂 CeO 对 G-ve 的抗菌活性明显高于 G+ve,分别在两种浓度下。此外,针对叶酸和核酸生物合成途径中分别属于二氢叶酸还原酶(DHFR)、二氢喋呤合成酶(DHPS)和 DNA 回旋酶的选定酶靶标进行了计算机分子对接研究,以合理化 CNC-CeO 和 Ag/CNC-CeO 的杀菌潜力背后的可能机制。

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