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壳聚糖和十六烷基三甲基溴化铵掺杂的硒化锡纳米结构的双重功能:通过分子对接抑制DNA促旋酶实现罗丹明B脱色、析氧反应及对金黄色葡萄球菌的抗菌活性

Dual functionality of chitosan and CTAB doped SnSe nanostructures: RhB decolorization, oxygen evolution reaction and antimicrobial activity against S. aureus by inhibiting DNA gyrase through molecular docking.

作者信息

Fatima Summan, Ikram Muhammad, Haider Ali, Shahzadi Anum, Moeen Sawaira, Ul-Hamid Anwar, Ullah Hameed, Ali Ghafar, Salem Mohamed A

机构信息

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

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

出版信息

Int J Biol Macromol. 2025 Apr;301:140433. doi: 10.1016/j.ijbiomac.2025.140433. Epub 2025 Jan 29.

Abstract

The current study explores the amalgamation of varying concentrations 2 and 4 wt% of chitosan (CS) and fixed concentration (3 wt%) of cetyltrimethylammonium bromide (CTAB) in tin selenide (SnSe) to form a novel ternary system of CS/CTAB-SnSe via co-precipitation method. The objective of this work is to minimize the minacious environmental concerns regarding organic pollutants and oxygen evolution reaction (OER) activity. This ternary system also used to examine the antibacterial action with familiar antibiotic ciprofloxacin (CIP) against a Gram-positive multiple drug resistant (MDR) bacteria Staphylococcus aureus (MDR S. aureus). The highest (80 %) decolorization efficiency of RhB was observed in an acidic medium at 8 min. For OER, optimized (4 wt% of CS doped into CTAB-SnSe) electrocatalyst revealed lower overpotential, minimal Tafel slope, and lowest R value, indicating higher OER activity. The optimized sample showed a maximum inhibitory zone value of 5.45 ± 0.04 mm against S. aureus. The docking investigations were undertaken to investigate the microbicidal prohibitive mechanism of CTAB-SnSe and CS/CTAB-SnSe on DNA gyrase enzymes in S. aureus. The experimental findings elucidated that CS augmented CTAB-SnSe exhibits significant active sites required for chromophore breakdown of RhB and inhibiting the growth of MDR S. aureus.

摘要

当前研究通过共沉淀法探索了不同浓度(2重量%和4重量%)的壳聚糖(CS)与固定浓度(3重量%)的十六烷基三甲基溴化铵(CTAB)在硒化锡(SnSe)中的融合,以形成一种新型的CS/CTAB - SnSe三元体系。这项工作的目的是尽量减少与有机污染物和析氧反应(OER)活性相关的有害环境问题。该三元体系还用于研究常见抗生素环丙沙星(CIP)对革兰氏阳性多重耐药(MDR)细菌金黄色葡萄球菌(MDR S. aureus)的抗菌作用。在酸性介质中8分钟时观察到RhB的最高脱色效率(80%)。对于OER,优化后的(4重量%的CS掺杂到CTAB - SnSe中)电催化剂显示出较低的过电位、最小的塔菲尔斜率和最低的R值,表明具有更高的OER活性。优化后的样品对金黄色葡萄球菌的最大抑菌圈值为5.45±0.04毫米。进行了对接研究,以研究CTAB - SnSe和CS/CTAB - SnSe对金黄色葡萄球菌中DNA促旋酶的杀菌抑制机制。实验结果表明,CS增强的CTAB - SnSe具有RhB发色团分解和抑制MDR S. aureus生长所需的重要活性位点。

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