Botany and Microbiology Department, Faculty of Science, Damietta University, Damietta, Egypt.
Chemistry Department, Faculty of Science, Damietta University, Damietta, Egypt.
Mater Sci Eng C Mater Biol Appl. 2019 Oct;103:109727. doi: 10.1016/j.msec.2019.05.012. Epub 2019 May 10.
The Cu, Co, Ni and UO polymer complexes of 5-(2,3-dimethyl-1-phenylpyrazol-5-one azo)-8-hydroxyquinoline (HL) ligand were prepared and characterized. Elemental analyses, IR spectra, X-ray diffraction analysis and thermal analysis studies have been used to confirm the structure of the prepared polymer complexes. The chemical structure of metal chelates commensurate that the ligand acts as a neutral bis(bidentate) by through four sites of coordination (azo dye nitrogen, carbonyl oxygen, phenolic oxygen and hetero nitrogen from pyridine ring). The molecular and electronic structures of the hydrogen bond conformers of HL ligand were optimized theoretically and the quantum chemical parameters were calculated. Elemental analysis data suggested that the polymer complexes have composition of octahedral geometry for all the polymer complexes. Molecular docking of the binding between HL and the receptors of prostate cancer (PDB code 2Q7L Hormone) and the breast cancer (PDB code 1JNX Gene regulation) was studied. The interaction between HL and its polymer complexes with the calf thymus DNA (CT-DNA) was determined by absorption spectra. The antimicrobial activity of HL and its Cu, Co, Ni and UO polymer complexes were investigated; only Cu(II) polymer complex (1) was specifically active against Aspergillus niger. It inhibited the fungal sporulation and distorted the fungal mycelia, which became squashed at a concentration of 150 μg/ml; transmission electron microscope (TEM) also showed a deactivation of autophagy in the treated A. niger cells via accumulation of autophagic bodies in vacuoles. The inhibition process of the prepared ligand (HL) against the corrosion of carbon steel in 2 M HCl solution was determined by various methods (weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) techniques) are found to be in reasonable agreement. The mechanism of inhibition in presence of HL in carbon steel corrosion obeys Friendlish adsorption isotherm.
5-(2,3-二甲基-1-苯基吡唑-5-酮偶氮)-8-羟基喹啉配体与 Cu、Co、Ni 和 UO 的聚合物配合物的合成与表征
5-(2,3-二甲基-1-苯基吡唑-5-酮偶氮)-8-羟基喹啉（HL）配体与 Cu、Co、Ni 和 UO 的聚合物配合物的合成与表征。元素分析、红外光谱、X 射线衍射分析和热分析研究用于确认所制备聚合物配合物的结构。金属配合物的化学结构表明，配体通过四个配位位点（偶氮染料氮、羰基氧、酚氧和吡啶环上的杂氮）充当中性双（双齿）。HL 配体氢键构象的分子和电子结构进行了理论优化，并计算了量子化学参数。元素分析数据表明，所有聚合物配合物均具有八面体几何组成。研究了 HL 与前列腺癌（PDB 码 2Q7L 激素）和乳腺癌（PDB 码 1JNX 基因调控）受体之间的结合的分子对接。通过吸收光谱确定 HL 及其聚合物配合物与小牛胸腺 DNA（CT-DNA）的相互作用。研究了 HL 及其 Cu、Co、Ni 和 UO 聚合物配合物的抗菌活性；只有 Cu(II)聚合物配合物（1）对黑曲霉具有特异性活性。它在 150μg/ml 的浓度下抑制真菌孢子形成并扭曲真菌菌丝，使其变得压扁；透射电子显微镜（TEM）还显示，通过在处理的 A. niger 细胞中积累自噬体，自噬作用被激活。通过失重、动电位极化、电化学阻抗谱（EIS）和电化学频率调制（EFM）技术等多种方法确定了配体（HL）在 2M HCl 溶液中对碳钢腐蚀的抑制过程，结果发现这些方法之间具有良好的一致性。在 HL 存在下，HL 在碳钢腐蚀中的抑制机制遵循 Freundlish 吸附等温线。
