Journal of Organometallic Chemistry ( IF 2.1 ) Pub Date : 2015-05-23 , DOI: 10.1016/j.jorganchem.2015.05.024 H. Abd El-Wahab , M. Abd El-Fattah , Ayman H. Ahmed , Ahmed A. Elhenawy , N.A. Alian
Hydrazones are versatile organic ligands and can be synthesized by condensation of hydrazides with carbonyl compounds (aldehydes/ketones). These compounds coordinate to the metal ions via azomethine nitrogen. Hydrazone Schiff's base ligands and their transition metal complexes possess a number of biological and flame retardant applications. Some selected divalent metal (CuII and NiII) complexes of hydrazone Schiff base ligand, namely o-methoxybenzaldehyde benzoylhydrazone (MBH) was synthesized and fully characterized by elemental analysis, FTIR, 1HNMR and mass spectra. This work summarizes the application of the prepared MBH ligand and its metal complexes. The prepared MBH ligand and its metal complexes were physically incorporated in polyurethane coating and evaluated for their flame retardancy and antimicrobial activity for surface coating. The flame retardancy of these materials was characterized by the limiting oxygen index (LOI) test. The antimicrobial activity of these materials was screened against Gram-positive bacteria, Gram-negative bacteria and fungi. The physical, mechanical and chemical properties were studied to ascertain any drawbacks. On the basis of experimental results of an oxygen index (LOI) and the biological activity, the synthesized MBH ligand and its metal complexes showed excellent flame retardancy and antimicrobial activity. In addition, the metal complexes were much more active than the original MBH ligand. Quantum chemical calculations were also performed by Semiempirical PM3 method to find the optimum geometry of the ligand and its metal complexes. The calculated pharmacokinetic parameters in silico, showed promising futures for application of the MBH ligand and its metal complexes as high antimicrobial potency agents.
中文翻译:
一些芳基ligand配体及其金属配合物的合成,表征及其在表面涂料聚氨酯中的阻燃和抗菌添加剂的潜在应用
dra是通用的有机配体,可以通过酰肼与羰基化合物(醛/酮)的缩合反应合成。这些化合物通过偶氮甲碱氮与金属离子配位。dra席夫碱配体及其过渡金属配合物具有许多生物学和阻燃应用。合成了一些选定的of席夫碱配体的二价金属(Cu II和Ni II)配合物,即邻甲氧基苯甲醛苯甲酰MB(MBH),并通过元素分析FTIR 1对其进行了全面表征HNMR和质谱。这项工作总结了制备的MBH配体及其金属配合物的应用。将制得的MBH配体及其金属络合物物理掺入聚氨酯涂料中,并评估其阻燃性和对表面涂料的抗菌活性。这些材料的阻燃性通过极限氧指数(LOI)测试来表征。筛选了这些材料对革兰氏阳性细菌,革兰氏阴性细菌和真菌的抗菌活性。对物理,机械和化学性质进行了研究,以确定是否有任何缺点。根据氧指数(LOI)和生物活性的实验结果,合成的MBH配体及其金属配合物表现出优异的阻燃性和抗菌活性。此外,金属配合物比原始的MBH配体更具活性。还通过Semiempirical PM3方法进行了量子化学计算,以找到配体及其金属配合物的最佳几何形状。计算的药代动力学参数在计算机模拟中显示出将MBH配体及其金属配合物用作高抗菌效能剂的前景广阔的前景。