腙基席夫碱配体铜(Ⅱ)配合物的合成、结构表征、生物活性和密度泛函理论计算  

Synthesis,structural characterization,bio-activity,and density functional theory calculation on Cu(Ⅱ) complexes with hydrazone-based Schiff base ligands

作　　者：Bhattacharjee Maitri Boruah Smriti Rekha Dutta Purkayastha R.N. Maniukiewicz Waldemar Chowdhury Shubhamoy Maiti Debasish Akhtar Tamanna 

机构地区：[1]Department of Chemistry,Tripura University,Suryamaninagar‑799022,Tripura,India [2]Institute of General and Ecological Chemistry,Lodz University of Technology,Zeromskiego 116,90‑924Łódz,Poland [3]Department of Chemistry,University of Gourbanga,Mokdumpur,Malda,West Bengal‑732103,India [4]Department of Human Physiology,Tripura University,Suryamaninagar‑799022,Tripura,India

出　　处：《无机化学学报》2024年第7期1409-1422,共14页Chinese Journal of Inorganic Chemistry

摘　　要：以甲醇为介质,合成了3种新的席夫碱配体HL^(1)(2-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)、HL^(2)(4-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)和L^(3)(2-methoxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)的Cu(Ⅱ)配合物1-3。通过元素分析、光谱方法、磁化率测量和密度泛函理论(DFT)计算对配合物进行了表征。通过单晶X射线衍射研究对合成的配体进行了结构表征。通过DFT计算确定了配合物的优化结构。通过紫外可见吸收光谱和荧光发射光谱研究了配合物与小牛胸腺DNA(CT-DNA)的结合能力。吸收光谱研究揭示了增色效应,并提出了与CT-DNA相互作用的可能模式。溴化乙锭(EB)竞争结合研究表明,配合物可以取代DNA-EB加合物中的DNA,且配合物可能以嵌入模式与CTDNA结合。配合物对革兰氏阴性肺炎克雷伯菌、大肠杆菌、鲍氏志贺菌和革兰氏阳性金黄色葡萄球菌的体外抗菌活性研究表明,配合物2对肺炎克雷伯菌和鲍氏志贺菌具有明显抗菌活性,但配合物1和3没有表现出任何显著的抗菌活性。Three new copper(Ⅱ) complexes 1-3 of Schiff base ligands HL^(1)(2-hydroxy benzaldehy de2-(2-oxo-1,2-diphenylethylidene)hydrazone),HL^(2)(4-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone) and L^(3)(2-methoxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone) were synthesized from methanolic medium.The complexes were characterized by elemental analyses,spectroscopic methods,magnetic susceptibility measurements,and density functional theory(DFT) studies.The synthesized ligands were characterized structurally by singlecrystal X-ray diffraction studies.The optimized structure of the complexes was ascertained by DFT studies.The DNA binding ability of the complexes with calf thymus DNA(CT-DNA) was studied by UV-Vis absorption and fluorescence emission spectral studies.Absorption spectral studies revealed a hyperchromic effect and suggested the possible mode of interaction with CT-DNA.The competitive binding studies using ethidium bromide(EB) show that the complexes can replace DNA from DNA-EB adduct and suggests that the complexes probably bind to CT-DNA in intercalative mode.In vitro antibacterial activity of the complexes against Gram-negative bacteria Klebsiella pneumoniae(K.pneumoniae),Escherichia coli(E.coli),and Shigella boydii(S.boydii),and gram-positive bacteria Staphylococcus aureus(S.aureus) exhibited an appreciable antibacterial activity of complex 2 against K.pneumoniae and S.boydii,but complexes 1 and 3 did not show any significant antibacterial activity.CCDC:2084165,HL^(1);2084166,HL^(2);2084164,L^(3).

关 键 词：Cu(Ⅱ)配合物 席夫碱 结构 生物活性 密度泛函理论 

分 类 号：O614.121[理学—无机化学]