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通过创新的等离子体和传统方法成功合成席夫碱大分子的一条新途径。

A novel avenue in the successful synthesis of Schiff base macromolecules via innovative plasma and classical approaches.

作者信息

Okasha Rawda M, Mohamed Abdel-Aleam H, Elhenawy Ahmed A, Alsehli Mosa H, Alsaedi Wael H, Alblewi Fawzia F, Assirey Eman A, Alawad Majed O, Aljohani Faizah S, Hrytani Zainab, Ibrahim Israa, Afifi Tarek H

机构信息

Chemistry Department, College of Science, Taibah University, Medinah, 41411, Saudi Arabia.

Physics Department, College of Science, Taibah University, Medina, 30002, Saudi Arabia.

出版信息

Sci Rep. 2025 Mar 29;15(1):10840. doi: 10.1038/s41598-025-94665-z.

Abstract

Schiff base macromolecules have been successfully synthesized, utilizing a classical chemistry route and a dielectric barrier discharge (DBD) plasma technique. The synthesis of monomeric units has been accomplished through typical reactions of aldehyde and amine functional molecules. The condensation polymerization of the Schiff base molecules has been instigated chemically, using p-toluene sulfonyl chloride in refluxed ethanol. The molecular weight of the obtained polymers was discovered to be 524, 664 and 1,503,228 for Schiff base polymers 4a and 4b, respectively. Additionally, the polymerization reactions were prompted, employing a Dielectric Barrier Discharge (DBD) atmospheric pressure air plasma technique. The DBD plasma demonstrated a very powerful routine to produce high molecular weights macromolecules with optimum condition at 5 min. duration time, which could be an ecofriendly strategy to acquire this class of materials. The new polymeric materials have been characterized utilizing FTIR and NMR spectroscopy. Moreover, the complexation of polymer 4b with various metal moieties, Ru (II), Co (II), Cu (II), and Ni (II), has been executed in order to have a comparative study of their antitumor activity against MCF-7, HCT-116, and HepG-2 cell lines. Furthermore, the density functional theory was exploited to optimize the polymers and their complexes, and their HOMO-LUMO and energy gap were calculated, which was utilized to examine the inter/intra molecular charge transfer. The molecular electrostatic potential map was similarly quantified to investigate the reactive sites that are present in the investigated molecules. The result for the docking study confirmed that these complexed polymers adopted numerous important interactions with the amino acid of the targeted enzyme.

摘要

席夫碱大分子已通过经典化学路线和介质阻挡放电(DBD)等离子体技术成功合成。单体单元的合成是通过醛和胺官能分子的典型反应完成的。席夫碱分子的缩聚反应是在回流乙醇中使用对甲苯磺酰氯进行化学引发的。发现席夫碱聚合物4a和4b所得聚合物的分子量分别为524、664和1,503,228。此外,聚合反应采用介质阻挡放电(DBD)大气压空气等离子体技术进行引发。DBD等离子体展示了一种非常强大的方法,可在5分钟的持续时间内以最佳条件生产高分子量的大分子,这可能是获得这类材料的一种环保策略。新型聚合物材料已通过傅里叶变换红外光谱(FTIR)和核磁共振光谱(NMR)进行了表征。此外,聚合物4b与各种金属部分Ru(II)、Co(II)、Cu(II)和Ni(II)的络合反应已经进行,以便对它们针对MCF-7、HCT-116和HepG-2细胞系的抗肿瘤活性进行比较研究。此外,利用密度泛函理论对聚合物及其配合物进行了优化,并计算了它们的最高占据分子轨道(HOMO)-最低未占据分子轨道(LUMO)和能隙,用于研究分子间/分子内的电荷转移。同样对分子静电势图进行了量化,以研究被研究分子中存在的反应位点。对接研究结果证实,这些络合聚合物与目标酶的氨基酸发生了许多重要的相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/50d5/11953434/4da933635228/41598_2025_94665_Fig1_HTML.jpg

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