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首页> 外文期刊>Helvetica chimica acta >Experimental and Density-Functional-Theory(DFT)Studies on the DNA-Binding Trend and Spectral Properties of the Ruthenium Complexes [Ru(4,7-dmp)(bdip)]~(2+)and [Ru(bpy)2(bdip)]~(2+)(4,7-dmp = 4,7-Dimethyl-1,10-phenanthroline,bdip = 2-(1,3-Benzodioxol-
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Experimental and Density-Functional-Theory(DFT)Studies on the DNA-Binding Trend and Spectral Properties of the Ruthenium Complexes [Ru(4,7-dmp)(bdip)]~(2+)and [Ru(bpy)2(bdip)]~(2+)(4,7-dmp = 4,7-Dimethyl-1,10-phenanthroline,bdip = 2-(1,3-Benzodioxol-

机译：钌配合物[Ru（4,7-dmp）（bdip）]〜（2+）和[Ru（bpy）2（）的DNA结合趋势和光谱性质的实验和密度泛函理论（DFT）研究bdip）]〜（2 +）（4,7-dmp = 4,7-二甲基-1,10-菲咯啉，bdip = 2-（1,3-Benzodioxol-

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摘要

The new ligand bdip(=2-(1,3-benzodioxol-4-yl)-1H-imidazo[4,5-f][1,10]phenanthroline)and its Ru~(II)complexes [Ru(4,7-dmp)2(bdip)]~(2-)(1;4,7-dmp = 4,7-dimethyl-1,10-phenanthroline)and [Ru(bpy)2(bdip)]~(2-)(2;bpy = 2,2'-bipyridine)were synthesized and characterized by elemental analysis,MS,~1H-NMR,and cyclic voltammetry.The DNA-binding properties of 1 and 2 to calf-thymus DNA(CT-DNA)were investigated by different spectrophotometric methods and viscosity measurements as well as by equilibrium dialysis and circular-dichroism(CD)spectroscopy.The results suggest that both complexes bind to DNA through intercalation,and that the ancillary ligands of(polypyridine)ruthe-nium(II)complexes have significant effects on the spectral properties and DNA-binding behavior of the complexes.Theoretical studies for these complexes were also carried out by the density-functional-theory(DFT)method.The trend in the DNA-binding affinity and some electrochemical and spectral properties of the complexes were confirmed by the DFT calculations.
机译：新的配体bdip（= 2-（1,3-苯并二恶唑-4-基）-1H-咪唑并[4,5-f] [1,10]菲咯啉）及其Ru〜（II）络合物[Ru（4， 7-dmp）2（bdip）]〜（2-）（1; 4,7-dmp = 4,7-二甲基-1,10-菲咯啉）和[Ru（bpy）2（bdip）]〜（2-合成了（2; bpy = 2,2'-联吡啶）并通过元素分析，MS，〜1H-NMR和循环伏安法进行了表征.1和2与小牛胸腺DNA（CT-DNA）的DNA结合特性通过不同的分光光度法和粘度测量以及平衡渗析和圆二色性（CD）光谱进行了研究。结果表明这两种络合物均通过插层与DNA结合，并且（聚吡啶）钌（ II）配合物对配合物的光谱特性和DNA结合行为有重要影响。通过密度泛函理论（DFT）方法对这些配合物进行了理论研究。配合物的电化学和光谱性质由DFT计算确认。

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