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用于细菌检测的具有pH/热响应性的纤维素席夫碱水凝胶生物传感器:密度泛函理论计算和分子对接

Cellulosic schiff base hydrogel biosensor for bacterial detection with pH/thermo-responsitivity: DFT calculations and molecular docking.

作者信息

Tohamy Hebat-Allah S

机构信息

Cellulose and Paper Department, National Research Centre, 33 El Bohouth Str., P.O. 12622, Dokki, Giza, Egypt.

出版信息

Int J Biol Macromol. 2024 Dec;283(Pt 1):137389. doi: 10.1016/j.ijbiomac.2024.137389. Epub 2024 Nov 12.

DOI:10.1016/j.ijbiomac.2024.137389
PMID:39537077
Abstract

A facile green hydrothermal method was developed for the preparation of fluorescent carbon dots (CDs) using sugarcane bagasse (SB) as a raw material. The incorporation of CDs within the hydroxyethyl cellulose-acrylamide hydrogel (HEC-AM) in the presence of glutardehyde (GA) as a crosslinking agent showed bright red emission under fluorescence microscope. The hydroxyethyl cellulose-N-CDs-acrylamide hydrogel (HEC-AM@N-CDs) were used as alternative biocompatible fluorescent probes for imaging and suppression of Gram-negative bacteria such as Escherichia coli (with inhibition zones 13 mm for HEC-AM to 17 mm for HEC-AM@N-CDs) & Helicobacter pylori (with inhibition zones 16 mm for HEC-AM to 13 mm for HEC-AM@N-CDs) and Gram-positive bacteria such as Micrococcus luteus (with inhibition zones 15 mm for HEC-AM to 16 mm for HEC-AM@N-CDs) & Staphylococcus aureus (with inhibition zones 13 mm for HEC-AM to 14 mm for HEC-AM@N-CDs). The N-CDs promote bacterial binding and internalization, leading to differential fluorescence emission depending on the bacteria's cell wall composition. DFT calculations support strong interactions between the bacteria and HEC-AM@N-CDs.

摘要

开发了一种简便的绿色水热法,以甘蔗渣(SB)为原料制备荧光碳点(CDs)。在作为交联剂的戊二醛(GA)存在下,将CDs掺入羟乙基纤维素-丙烯酰胺水凝胶(HEC-AM)中,在荧光显微镜下显示出亮红色发射。羟乙基纤维素-N-碳点-丙烯酰胺水凝胶(HEC-AM@N-CDs)用作替代生物相容性荧光探针,用于成像和抑制革兰氏阴性菌,如大肠杆菌(HEC-AM的抑菌圈为13毫米,HEC-AM@N-CDs为17毫米)和幽门螺杆菌(HEC-AM的抑菌圈为16毫米,HEC-AM@N-CDs为13毫米),以及革兰氏阳性菌,如藤黄微球菌(HEC-AM的抑菌圈为15毫米,HEC-AM@N-CDs为16毫米)和金黄色葡萄球菌(HEC-AM的抑菌圈为13毫米,HEC-AM@N-CDs为14毫米)。N-碳点促进细菌结合和内化,根据细菌细胞壁组成导致不同的荧光发射。密度泛函理论计算支持细菌与HEC-AM@N-CDs之间的强相互作用。

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