Mohamed M. Hammam , Ramadan M. Ramadan , Ayman A. Abdel Aziz , M.A. Sadek , Abdel Naby M. Salem
{"title":"以 6,7-二氯-2,3-二(吡啶-2-基)喹喔啉为多吡啶桥配体的新型杂色钌配合物:合成、表征、光物理、电化学、体外生物活性和分子对接研究","authors":"Mohamed M. Hammam , Ramadan M. Ramadan , Ayman A. Abdel Aziz , M.A. Sadek , Abdel Naby M. Salem","doi":"10.1016/j.molstruc.2024.140748","DOIUrl":null,"url":null,"abstract":"<div><div>Three new heteroleptic ruthenium(II) complexes with mixed ligands were prepared: [Ru(bpy)<sub>2</sub>(Cl<sub>2</sub>dpq)]Cl<sub>2</sub> (<strong>1</strong>), [Ru(bpy)<sub>2</sub>(Cl<sub>2</sub>dpq)Ru(bpy)<sub>2</sub>]Cl<sub>4</sub> (<strong>2</strong>), and [Ru(bpy)<sub>2</sub>(Cl<sub>2</sub>dpq)RuCl<sub>2</sub>(Cl<sub>2</sub>dpq)Ru(bpy)<sub>2</sub>]Cl<sub>5</sub> (<strong>3</strong>), in which Cl<sub>2</sub>dpq = 6,7-dichloro-2,3-di(pyridin-2-yl)quinoxaline; bpy = 2,2′-bipyridine. Various physicochemical tools were used to characterize the new complexes, such as elemental analysis, infrared, <sup>1</sup>H-NMR and ESI-MS. The complexes were investigated for their Photochemical properties by studying their UV-Vis, luminescence, and NIR spectra. Additionally, cyclic voltammetry studies were performed to evaluate the electrochemical behavior of the complexes. Investigation of the new complexes’ interaction with calf thymus DNA (CT-DNA) was carried out using various spectroscopic techniques and the experimental data were corroborated against molecular docking studies. Furthermore, the complexes' <em>in vitro</em> cytotoxicity against DPPH radicals and their scavenging effects against HeLa and MCF-7 cell lines were assessed.</div></div>","PeriodicalId":16414,"journal":{"name":"Journal of Molecular Structure","volume":"1323 ","pages":"Article 140748"},"PeriodicalIF":4.0000,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Novel heteroleptic ruthenium complexes incorporating 6,7-dichloro-2,3-di(pyridine-2-yl)quinoxaline as polypyridyl bridging ligand: Synthesis, characterization, photophysical, electrochemistry, in vitro biological activity and molecular docking studies\",\"authors\":\"Mohamed M. Hammam , Ramadan M. Ramadan , Ayman A. Abdel Aziz , M.A. Sadek , Abdel Naby M. Salem\",\"doi\":\"10.1016/j.molstruc.2024.140748\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Three new heteroleptic ruthenium(II) complexes with mixed ligands were prepared: [Ru(bpy)<sub>2</sub>(Cl<sub>2</sub>dpq)]Cl<sub>2</sub> (<strong>1</strong>), [Ru(bpy)<sub>2</sub>(Cl<sub>2</sub>dpq)Ru(bpy)<sub>2</sub>]Cl<sub>4</sub> (<strong>2</strong>), and [Ru(bpy)<sub>2</sub>(Cl<sub>2</sub>dpq)RuCl<sub>2</sub>(Cl<sub>2</sub>dpq)Ru(bpy)<sub>2</sub>]Cl<sub>5</sub> (<strong>3</strong>), in which Cl<sub>2</sub>dpq = 6,7-dichloro-2,3-di(pyridin-2-yl)quinoxaline; bpy = 2,2′-bipyridine. Various physicochemical tools were used to characterize the new complexes, such as elemental analysis, infrared, <sup>1</sup>H-NMR and ESI-MS. The complexes were investigated for their Photochemical properties by studying their UV-Vis, luminescence, and NIR spectra. Additionally, cyclic voltammetry studies were performed to evaluate the electrochemical behavior of the complexes. Investigation of the new complexes’ interaction with calf thymus DNA (CT-DNA) was carried out using various spectroscopic techniques and the experimental data were corroborated against molecular docking studies. Furthermore, the complexes' <em>in vitro</em> cytotoxicity against DPPH radicals and their scavenging effects against HeLa and MCF-7 cell lines were assessed.</div></div>\",\"PeriodicalId\":16414,\"journal\":{\"name\":\"Journal of Molecular Structure\",\"volume\":\"1323 \",\"pages\":\"Article 140748\"},\"PeriodicalIF\":4.0000,\"publicationDate\":\"2024-11-16\",\"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/S0022286024032563\",\"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/S0022286024032563","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Novel heteroleptic ruthenium complexes incorporating 6,7-dichloro-2,3-di(pyridine-2-yl)quinoxaline as polypyridyl bridging ligand: Synthesis, characterization, photophysical, electrochemistry, in vitro biological activity and molecular docking studies
Three new heteroleptic ruthenium(II) complexes with mixed ligands were prepared: [Ru(bpy)2(Cl2dpq)]Cl2 (1), [Ru(bpy)2(Cl2dpq)Ru(bpy)2]Cl4 (2), and [Ru(bpy)2(Cl2dpq)RuCl2(Cl2dpq)Ru(bpy)2]Cl5 (3), in which Cl2dpq = 6,7-dichloro-2,3-di(pyridin-2-yl)quinoxaline; bpy = 2,2′-bipyridine. Various physicochemical tools were used to characterize the new complexes, such as elemental analysis, infrared, 1H-NMR and ESI-MS. The complexes were investigated for their Photochemical properties by studying their UV-Vis, luminescence, and NIR spectra. Additionally, cyclic voltammetry studies were performed to evaluate the electrochemical behavior of the complexes. Investigation of the new complexes’ interaction with calf thymus DNA (CT-DNA) was carried out using various spectroscopic techniques and the experimental data were corroborated against molecular docking studies. Furthermore, the complexes' in vitro cytotoxicity against DPPH radicals and their scavenging effects against HeLa and MCF-7 cell lines were assessed.
期刊介绍:
The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including:
• Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.)
• Chemical intermediates
• Molecules in excited states
• Biological molecules
• Polymers.
The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example:
• Infrared spectroscopy (mid, far, near)
• Raman spectroscopy and non-linear Raman methods (CARS, etc.)
• Electronic absorption spectroscopy
• Optical rotatory dispersion and circular dichroism
• Fluorescence and phosphorescence techniques
• Electron spectroscopies (PES, XPS), EXAFS, etc.
• Microwave spectroscopy
• Electron diffraction
• NMR and ESR spectroscopies
• Mössbauer spectroscopy
• X-ray crystallography
• Charge Density Analyses
• Computational Studies (supplementing experimental methods)
We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.