首页|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

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

扫码查看
原文链接
  • NETL
  • NSTL
  • 万方数据
以甲醇为介质,合成了 3种新的席夫碱配体HL1(2-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)、HL2(4-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)和 L3(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CT-DNA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.
Synthesis,structural characterization,bio-activity,and density functional theory calculation on Cu(Ⅱ)complexes with hydrazone-based Schiff base ligands
Three new copper(Ⅱ)complexes 1-3 of Schiff base ligands HL1(2-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone),HL2(4-hydroxybenzaldehyde2-(2-oxo-1,2-diphenylethylidene)hydrazone)and L3(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 single-crystal 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 fluo-rescence 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 pneu-moniae(K.pneumoniae),Escherichia coli(E.coli),and Shigella boydii(S.boydii),and gram-positive bacteria Staphy-lococcus 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,HL1;2084166,HL2;2084164,L3.

Cu(Ⅱ)complexSchiff basestructurebio-activitydensity functional theory

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

展开 >

Department of Chemistry,Tripura University,Suryamaninagar-799022,Tripura,India

Institute of General and Ecological Chemistry,Lodz University of Technology,Zeromskiego 116,90-924 Łódz,Poland

Department of Chemistry,University of Gourbanga,Mokdumpur,Malda,West Bengal-732103,India

Department of Human Physiology,Tripura University,Suryamaninagar-799022,Tripura,India

展开 >

Cu(Ⅱ)配合物 席夫碱 结构 生物活性 密度泛函理论

2024

10.11862/CJIC.20240007

无机化学学报
中国化学会

无机化学学报

CSTPCD北大核心
影响因子：0.665
ISSN：1001-4861
年,卷(期)：2024.40(7)
  • 44