{"title":"评估 Co(II) 希夫碱配合物：催化、理论和生物分子相互作用研究","authors":"","doi":"10.1016/j.molstruc.2024.139842","DOIUrl":null,"url":null,"abstract":"<div><p>Two Schiff base ligands, namely H<sub>2</sub>L<sup>1</sup> [3-(2‑hydroxy-phenylimino)-1,3-dihydro-indole-2-one] and H<sub>2</sub>L<sup>2</sup> [3-(2-mercapto-phenylimino)-1,3-dihydro-indole-2–1], were successfully synthesized. Furthermore, the ligands were subsequently complexed with [CoCl<sub>2</sub>(PPh<sub>3</sub>)<sub>3</sub>] to form CoL<sup>1</sup> and CoL<sup>2</sup><sub>,</sub> respectively. The synthesized metal complexes were investigated using FTIR, UV–Visible, and NMR spectroscopic techniques. Catalytic efficiency was evaluated for the oxidation of alcohol and C<sub>6</sub>H<sub>5</sub>-H<sub>5</sub>C<sub>6</sub>Coupling reactions. DFT study verified the structural parameters of the prepared Co<sup>2+</sup> complexes were made reliable. The interaction of Co<sup>2+</sup> Schiff base complexes with BSA and DNA were studied using an in-silico docking approach.</p></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":null,"pages":null},"PeriodicalIF":4.0000,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Evaluation of Co(II) Schiff base complexes: Catalysis, theoretical and biomolecular interaction studies\",\"authors\":\"\",\"doi\":\"10.1016/j.molstruc.2024.139842\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Two Schiff base ligands, namely H<sub>2</sub>L<sup>1</sup> [3-(2‑hydroxy-phenylimino)-1,3-dihydro-indole-2-one] and H<sub>2</sub>L<sup>2</sup> [3-(2-mercapto-phenylimino)-1,3-dihydro-indole-2–1], were successfully synthesized. Furthermore, the ligands were subsequently complexed with [CoCl<sub>2</sub>(PPh<sub>3</sub>)<sub>3</sub>] to form CoL<sup>1</sup> and CoL<sup>2</sup><sub>,</sub> respectively. The synthesized metal complexes were investigated using FTIR, UV–Visible, and NMR spectroscopic techniques. Catalytic efficiency was evaluated for the oxidation of alcohol and C<sub>6</sub>H<sub>5</sub>-H<sub>5</sub>C<sub>6</sub>Coupling reactions. DFT study verified the structural parameters of the prepared Co<sup>2+</sup> complexes were made reliable. The interaction of Co<sup>2+</sup> Schiff base complexes with BSA and DNA were studied using an in-silico docking approach.</p></div>\",\"PeriodicalId\":16414,\"journal\":{\"name\":\"Journal of Molecular Structure\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2024-09-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Structure\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022286024023512\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Structure","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022286024023512","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Evaluation of Co(II) Schiff base complexes: Catalysis, theoretical and biomolecular interaction studies
Two Schiff base ligands, namely H2L1 [3-(2‑hydroxy-phenylimino)-1,3-dihydro-indole-2-one] and H2L2 [3-(2-mercapto-phenylimino)-1,3-dihydro-indole-2–1], were successfully synthesized. Furthermore, the ligands were subsequently complexed with [CoCl2(PPh3)3] to form CoL1 and CoL2, respectively. The synthesized metal complexes were investigated using FTIR, UV–Visible, and NMR spectroscopic techniques. Catalytic efficiency was evaluated for the oxidation of alcohol and C6H5-H5C6Coupling reactions. DFT study verified the structural parameters of the prepared Co2+ complexes were made reliable. The interaction of Co2+ Schiff base complexes with BSA and DNA were studied using an in-silico docking approach.
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