El Batouti Mervette, El-Mossalamy E H, Al-Harby Nouf, Fetouh H A
Chemistry Department, Faculty of Science, Alexandria University, Egypt.
Chemistry Department, Faculty of Science, Benha University, Benha, Egypt.
Heliyon. 2024 Jun 8;10(12):e32448. doi: 10.1016/j.heliyon.2024.e32448. eCollection 2024 Jun 30.
The novelty and the essential purpose of this research is the preparation of new anti-inflammatory iron complexes in water green solvent using critical micelle concentration of anionic surface active agent (SAA). Three new anti-inflammatory iron complexes have been prepared. Thiophene-electron donor (D) Schiff base (2-(2-OH-benzylidene)-amino)-4, 5, 6, 7-tetrah ydrobenzo[b] thiophene-3-carbonitrile) has been prepared. Molecular structures of all samples were confirmed based on CNH analysis, H NMR and C NMR spectra. The molecular structure of Schiff base is further confirmed by computational chemistry using the DFT-B3LYP method, 6-31G (d) basis set. Observed and simulated H NMR, UV-Vis. IR/Raman spectra confirmed the molecular structure of D. This Schiff base is intercalated to ferric chloride (FeCl) giving pure iron charge transfer complex (CTCs). and kinetic studies confirmed Fe-CTC complexes had (concentration-dependent) potent antimicrobial-, good anti-inflammatory activities. Free radical scavenging activity nitrous oxide (NO) of Fe (III)CTCs is attributed to geometry Fe(III) ions as distorted octahedral (either monoclinic or triclinic single crystals) functional groups (-C]N-O, NH). Elemental analysis and EDS spectra confirmed strong binding between iron and hetero atoms (N, S, O) of D molecules.
本研究的新颖之处和根本目的在于，利用阴离子表面活性剂（SAA）的临界胶束浓度，在水绿色溶剂中制备新型抗炎铁配合物。现已制备出三种新型抗炎铁配合物。制备了噻吩电子供体（D）席夫碱（2-(2-羟基苄叉基)-氨基)-4,5,6,7-四氢苯并[b]噻吩-3-腈）。基于元素分析、氢核磁共振（H NMR）和碳核磁共振（C NMR）光谱确定了所有样品的分子结构。通过使用密度泛函理论-B3LYP方法、6-31G(d)基组的计算化学进一步证实了席夫碱的分子结构。观察到的和模拟的H NMR、紫外可见光谱、红外/拉曼光谱证实了D的分子结构。该席夫碱插入到氯化铁（FeCl）中，形成纯铁电荷转移配合物（CTCs）。动力学研究证实Fe-CTC配合物具有（浓度依赖性）强效抗菌和良好的抗炎活性。Fe(III)CTCs对一氧化氮（NO）的自由基清除活性归因于Fe(III)离子的几何结构为扭曲八面体（单斜或三斜单晶）以及官能团（-C≡N-O、NH）。元素分析和能谱分析证实了铁与D分子中的杂原子（N、S、O）之间有强结合。
