The DNA-binding behavior and DFT calculation of ruthenium(II) complexes [Ru(phen)2L](ClO4)2 (L = HMOPIP and MOHPIP) |
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| Authors: | Shao-Yu Liang Yu-Xin Chen Yong-Chang Zeng Qiong Wu Xin-Yu Wei |
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| Affiliation: | 1. First Affiliated Hospital of Shenzhen University, Shenzhen, China;2. School of Medicine, Jinan University, Guangzhou, China;3. Department of Clinical Laboratory, School of Medicine, Shanghai Tenth People’s Hospital, Tongji University, Shanghai, China;4. School of Medicine, Jinan University, Guangzhou, China;5. School of Pharmacy, Guangdong Pharmaceutical University, Guangzhou, China |
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| Abstract: | Two ruthenium(II) complexes, [Ru(phen)2HMPIP]2+ (1) and [Ru(phen)2MHPIP]2+ (2), have been synthesized and characterized by elemental analysis, ESI-MS, and 1H NMR spectroscopy. The DNA-binding properties of 1 and 2 have been investigated by electronic and emission spectra and viscosity experiments. The results show that both 1 and 2 can bind to DNA in intercalating mode, with 1 exhibiting stronger binding affinity. These were confirmed by the strong hypochromism at IL and MLCT absorption bands in both complexes when DNA was added into solution, and the increase in relative viscosity of CT-DNA in the presence of both complexes. Moreover, the calculated intrinsic binding constant for 1 and 2 from the decay of electronic spectra is 3.82 × 105 and 2.06 × 105 M?1, respectively. Finally, the effects of the substituent groups on the DNA-binding behavior of ruthenium(II) complexes have also been rationally discussed by computer calculation of density functional theory (DFT) methods. |
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| Keywords: | Ruthenium(II) complex DNA-binding properties HOMO LUMO |
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