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Synthesis and Characterisation of Copper(II) Complexes with Tridentate NNO Functionalized Ligand: Density Function Theory Study, DNA Binding Mechanism, Optical Properties, and Biological Application

机译:具有三齿NNO功能化配体的铜(II)配合物的合成和表征:密度泛函理论研究,DNA结合机理,光学性质和生物学应用

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The photo physical properties of two mononuclear pentacoordinated copper(II) complexes formulated as [Cu(L)(Cl)(H2O)] (1) and [Cu(L)(Br)(H2O)] (2)HL = (1-[(3-methyl-pyridine-2-ylimino)-methyl]-naphthalen-2-ol) were synthesized and characterized by elemental, physicochemical, and spectroscopic methods. The density function theory calculations are used to investigate the electronic structures and the electronic properties of ligand and complex. The interactions of copper(II) complexes towards calf thymus DNA were examined with the help of absorption, viscosity, and fluorescence spectroscopic techniques at pH 7.40. All spectroscopy's result indicates that complexes show good binding activity to calf thymus DNA through groove binding. The optical absorption and fluorescence emission properties of microwires were characterized by fluorescence microscope. From a spectroscopic viewpoint, all compounds strongly emit green light in the solid state. The microscopy investigation suggested that microwires exhibited optical waveguide behaviour which are applicable as fluorescent nanomaterials and can be used as building blocks for miniaturized photonic devices. Antibacterial study reveals that complexes are better antimicrobial agents than free Schiff base due to bacterial cell penetration by chelation. Moreover, the antioxidant study of the ligand and complexes is evaluated by using 1,1-diphenyl-2-picrylhydrazyl (DPPH) free-radical assays, which demonstrate that the complexes are of higher antioxidant activity than free ligand.
机译:两种配制成[Cu(L)(Cl)(H2O)](1)和[Cu(L)(Br)(H2O)](2)的单核五配位铜(II)配合物的光物理性质HL =(1合成-[[(3-甲基-吡啶-2-ylimino)-甲基]-萘-2-醇)并通过元素,物理化学和光谱法表征。密度泛函理论计算用于研究配体和配合物的电子结构以及电子性质。铜(II)配合物与小牛胸腺DNA的相互作用在pH 7.40的吸收,粘度和荧光光谱技术的帮助下进行了检测。所有光谱的结果表明,复合物通过沟结合对小牛胸腺DNA显示出良好的结合活性。通过荧光显微镜表征了微丝的光吸收和荧光发射特性。从光谱学的观点来看,所有化合物均以固态强烈发射绿光。显微镜研究表明,微丝表现出可作为荧光纳米材料应用的光波导行为,并可作为微型光子器件的基础。抗菌研究表明,由于细菌通过螯合作用渗透,复合物比游离的席夫碱更好。此外,配体和配合物的抗氧化剂研究是通过使用1,1-二苯基-2-吡啶并肼基(DPPH)自由基试验来评估的,这表明配合物比游离配体具有更高的抗氧化活性。

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