{"title":"双(苯并咪唑)配体 Cu(II)配合物的多方面见解:结构调查、理论研究、细胞毒性评估和抗氧化总结","authors":"","doi":"10.1016/j.jics.2024.101410","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, the synthesized two new ligands, namely bis(1<em>H</em>-benzo[<em>d</em>]imidazole-1-yl) methane [<strong>L1</strong>] and 1,2-bis(1<em>H</em>-benzo[<em>d</em>]imidazole-1-yl) ethane [<strong>L2</strong>], from benzimidazole. They chose 1,2-dibromomethane and 1,2-dibromoethane as they are widely used in environmental catalysis and as ligands in conjugated configurations. The researchers were able to synthesize the Cu(II) complexes, [Cu(<strong>L1</strong>)<sub>2</sub>]Cl<sub>2</sub> or <strong>[1]</strong> and [Cu(<strong>L2</strong>)<sub>2</sub>]Cl<sub>2</sub> or <strong>[2]</strong>, at room temperature. They used several analytical techniques, including elemental analysis, magnetic moment measurement, UV–visible spectroscopy, FT-IR spectroscopy, FT-Raman spectroscopy, NMR spectroscopy (including <sup>1</sup>H, <sup>13</sup>C, DEPT-135, HSQC, and HMBC techniques), ESI-MS analysis, thermogravimetric analysis, and ESR spectroscopy, to characterize the synthesized compounds. They found that the ESR spectra of complexes <strong>[1]</strong> and <strong>[2]</strong> suggest that both metal complexes have square planar coordination spheres. In the DFT study of the geometrical optimization of both complexes, the central plane consists of the Cu metal atom connected to four nitrogen atoms. The Cu–N bond lengths are measured at 2.194 Å for <strong>[1]</strong> and 2.176 Å for <strong>[2]</strong> whereas the FMO theory's slight reduction in the HOMO-LUMO gap for <strong>[2]</strong> suggests that it is more reactive and less stable compared to <strong>[</strong><strong>1]</strong>. In addition, the researchers tested the effect of these compounds on human cervical cancer cell lines (HeLa) which showed significant cytotoxic effects under laboratory conditions. Complex <strong>[2]</strong> had a significant inhibitory impact on the growth of cancer cells. The researchers also assessed the antioxidant effects of the ligands and metal complexes using DPPH, OH, and NO assays and found that <strong>[2]</strong> had the most potent inhibitory effect on the radicals, with IC<sub>50</sub> values of 36.11 μM (DPPH), 28.18 μM (OH), and 26.20 μM (NO).</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":null,"pages":null},"PeriodicalIF":3.2000,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Multifaceted insights into Cu(II) complexes with bis(benzimidazole) ligands: Structural investigation, theoretical studies, cytotoxicity evaluation, and antioxidant summarizing\",\"authors\":\"\",\"doi\":\"10.1016/j.jics.2024.101410\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In this study, the synthesized two new ligands, namely bis(1<em>H</em>-benzo[<em>d</em>]imidazole-1-yl) methane [<strong>L1</strong>] and 1,2-bis(1<em>H</em>-benzo[<em>d</em>]imidazole-1-yl) ethane [<strong>L2</strong>], from benzimidazole. They chose 1,2-dibromomethane and 1,2-dibromoethane as they are widely used in environmental catalysis and as ligands in conjugated configurations. The researchers were able to synthesize the Cu(II) complexes, [Cu(<strong>L1</strong>)<sub>2</sub>]Cl<sub>2</sub> or <strong>[1]</strong> and [Cu(<strong>L2</strong>)<sub>2</sub>]Cl<sub>2</sub> or <strong>[2]</strong>, at room temperature. They used several analytical techniques, including elemental analysis, magnetic moment measurement, UV–visible spectroscopy, FT-IR spectroscopy, FT-Raman spectroscopy, NMR spectroscopy (including <sup>1</sup>H, <sup>13</sup>C, DEPT-135, HSQC, and HMBC techniques), ESI-MS analysis, thermogravimetric analysis, and ESR spectroscopy, to characterize the synthesized compounds. They found that the ESR spectra of complexes <strong>[1]</strong> and <strong>[2]</strong> suggest that both metal complexes have square planar coordination spheres. In the DFT study of the geometrical optimization of both complexes, the central plane consists of the Cu metal atom connected to four nitrogen atoms. The Cu–N bond lengths are measured at 2.194 Å for <strong>[1]</strong> and 2.176 Å for <strong>[2]</strong> whereas the FMO theory's slight reduction in the HOMO-LUMO gap for <strong>[2]</strong> suggests that it is more reactive and less stable compared to <strong>[</strong><strong>1]</strong>. In addition, the researchers tested the effect of these compounds on human cervical cancer cell lines (HeLa) which showed significant cytotoxic effects under laboratory conditions. Complex <strong>[2]</strong> had a significant inhibitory impact on the growth of cancer cells. The researchers also assessed the antioxidant effects of the ligands and metal complexes using DPPH, OH, and NO assays and found that <strong>[2]</strong> had the most potent inhibitory effect on the radicals, with IC<sub>50</sub> values of 36.11 μM (DPPH), 28.18 μM (OH), and 26.20 μM (NO).</div></div>\",\"PeriodicalId\":17276,\"journal\":{\"name\":\"Journal of the Indian Chemical Society\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-10-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of the Indian Chemical Society\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0019452224002905\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Indian Chemical Society","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0019452224002905","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Multifaceted insights into Cu(II) complexes with bis(benzimidazole) ligands: Structural investigation, theoretical studies, cytotoxicity evaluation, and antioxidant summarizing
In this study, the synthesized two new ligands, namely bis(1H-benzo[d]imidazole-1-yl) methane [L1] and 1,2-bis(1H-benzo[d]imidazole-1-yl) ethane [L2], from benzimidazole. They chose 1,2-dibromomethane and 1,2-dibromoethane as they are widely used in environmental catalysis and as ligands in conjugated configurations. The researchers were able to synthesize the Cu(II) complexes, [Cu(L1)2]Cl2 or [1] and [Cu(L2)2]Cl2 or [2], at room temperature. They used several analytical techniques, including elemental analysis, magnetic moment measurement, UV–visible spectroscopy, FT-IR spectroscopy, FT-Raman spectroscopy, NMR spectroscopy (including 1H, 13C, DEPT-135, HSQC, and HMBC techniques), ESI-MS analysis, thermogravimetric analysis, and ESR spectroscopy, to characterize the synthesized compounds. They found that the ESR spectra of complexes [1] and [2] suggest that both metal complexes have square planar coordination spheres. In the DFT study of the geometrical optimization of both complexes, the central plane consists of the Cu metal atom connected to four nitrogen atoms. The Cu–N bond lengths are measured at 2.194 Å for [1] and 2.176 Å for [2] whereas the FMO theory's slight reduction in the HOMO-LUMO gap for [2] suggests that it is more reactive and less stable compared to [1]. In addition, the researchers tested the effect of these compounds on human cervical cancer cell lines (HeLa) which showed significant cytotoxic effects under laboratory conditions. Complex [2] had a significant inhibitory impact on the growth of cancer cells. The researchers also assessed the antioxidant effects of the ligands and metal complexes using DPPH, OH, and NO assays and found that [2] had the most potent inhibitory effect on the radicals, with IC50 values of 36.11 μM (DPPH), 28.18 μM (OH), and 26.20 μM (NO).
期刊介绍:
The Journal of the Indian Chemical Society publishes original, fundamental, theorical, experimental research work of highest quality in all areas of chemistry, biochemistry, medicinal chemistry, electrochemistry, agrochemistry, chemical engineering and technology, food chemistry, environmental chemistry, etc.