席夫碱配体衍生的金属配合物的抗氧化活性和 DFT 计算：合成、表征和生物学评价,ChemistrySelect

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席夫碱配体衍生的金属配合物的抗氧化活性和 DFT 计算：合成、表征和生物学评价
ChemistrySelect ( IF 1.9 ) Pub Date : 2024-03-27 , DOI: 10.1002/slct.202400676
Salisu Y. Lawan ₁ , Matthew B. Mshelia ₁ , Grema A. Mala ₁ , Wahab O. Olaide ₂ , Salihu A. Musa ₁ , Abubakar A. Ahmed ₁ , Hassan B. Yesufu ₃ , Ibrahim Waziri _{1,

4}

Affiliation

众所周知，源自席夫碱的金属配合物具有广泛的应用，涵盖材料和医学科学领域。在此，通过2-羟基-1-萘醛和4-氯苯胺之间的缩合反应合成了席夫碱配体(Z)-2-(((4-氯苯基)亚氨基)甲基)萘-1-醇HL，使用在催化量的甲酸存在下以甲醇为溶剂。获得的配体进一步与 Mn(II)、Ni(II) 和 Cu(II) 使用其乙酸盐以金属与配体化学计量比 1:2 反应，分别得到配合物 C1-C3。采用由 FTIR、UV-Vis、元素（CHN 和金属含量）、TGA、HRMS、1H 和 13 C NMR 光谱组成的物理化学和分析技术来确定化合物的形成。结果表明，配体分别通过酚盐和偶氮甲碱部分的氧原子和氮原子与金属离子配位，形成ON型配合物。此外，使用体外 DPPH 自由基清除测定，与标准品（抗坏血酸）相比，评估了游离配体及其复合物的抗氧化活性。根据这项研究，C1 表现出比游离配体、配合物和标准品（抗坏血酸）更高的自由基清除活性。但在较高浓度下，该配体比C2和C3具有更好的清除活性。 DFT 还被用来检查化合物的电子特性，获得的数据很好地证实了实验研究。

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Antioxidant Activity and DFT Calculations of Metal Complexes Derived from a Schiff Base Ligand: Synthesis, Characterization, and Biological Evaluation

Metal complexes derived from Schiff bases are known to have a wide range of applications, spanning the areas of material and medicinal sciences. Herein, a Schiff base ligand, (Z)‐2‐(((4‐chlorophenyl)imino)methyl)naphthalen‐1‐ol HL, was synthesized via a condensation reaction between 2‐hydroxy‐1‐naphthaldehyde and 4‐chloroaniline using methanol as a solvent in the presence of a catalytic amount of formic acid. The obtained ligand was further reacted with Mn(II), Ni(II), and Cu(II) using their acetate salts in a 1 : 2 stoichiometric ratio of metal to ligand to afford complexes C1–C3, respectively. Physicochemical and analytical techniques consisting of FTIR, UV‐Vis, elemental (CHN and metal content), TGA, HRMS, 1H, and 13 C NMR spectroscopy were deployed to establish the formation of the compounds. Results show that the ligand coordinated with the metal ions through the oxygen and nitrogen atoms of the phenolate and azomethine moieties, respectively, forming ON‐type complexes. Furthermore, the free ligand and its complexes were evaluated for their antioxidant activity compared to the standard (ascorbic acid) using an in vitro DPPH radical scavenging assay. From this investigation, C1 demonstrated higher radical scavenging activity than the free ligand, the complexes, and the standard (ascorbic acid). But the ligand has better scavenging activity than C2 and C3 at higher concentrations. DFT was also used to examine the electronic properties of the compounds, and the data obtained corroborated well with the experimental study.

更新日期：2024-03-27

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