{"title":"Notice of RetractionCrystal Structure and Antioxygenic Property of a New NiSOD Model Complex and Its Probability of Application in Heavy Metal Removal","authors":"Junjie Yue, Xin Feng, Y. Xie","doi":"10.1109/ICBBE.2011.5781219","DOIUrl":null,"url":null,"abstract":"A new Ni(II) Complex with N, N, N', N'-tetrakis( benzimidazol-2-yl-methyl )-1, 2-ethanediamine (EDTB) was synthesized and was characterized by using X-ray diffraction method. The crystallographic parameters are as follow: C<sub>38</sub>H<sub>46</sub>N<sub>10</sub>O<sub>11</sub>SCl<sub>2</sub>Ni, Mr=980.52, triclinic, a=10.568(4)Å, b=12.078(5) Å, c = 18.868(7) Å, α = 73.700(7)°, β= 77.081(7)°, γ= 84.500(7)°, V=2251.6(15) Å<sup>3</sup>, D<sub>c</sub>=1.446 Mg/m<sup>3</sup>, Z=2, F(000)=1020, μ=0.664 mm<sup>-1</sup>, space group is P1̅ .The distortion have taken place between the structure of free ligand EDTB and that in the nickel complex, which caused the complex to be unstable in crystal form. But the holding of aromatic ring packing and hydrogen bonds in the crystal kept the stability of crystal. Based on the crystal data, the quantum chemistry calculation was performed. Both the crystal structure and the computational results show that the nickel complex presents certain biological activity of eliminating superoxide anion radical (O2<sup>-·</sup>), and this conclusion is proved by the activity data pl<sub>50</sub>=4.26 of the complex C<sub>38</sub>H<sub>46</sub>N<sub>10</sub>O<sub>11</sub>SCl<sub>2</sub>Ni, so it can be called the model complex of nickel-containing superoxide dismutase(MSOD) and has a certain antioxygenic property. On the other hand, nickel is a harmful metal which occurs widely in the wastewater and contaminated soils, and can be transferred through the food chains. The addition of EDTB and the formation of the above complex just can play a role of chemical immobilization of nickel in environmental medium such as water and soils.","PeriodicalId":6438,"journal":{"name":"2011 5th International Conference on Bioinformatics and Biomedical Engineering","volume":"12 1","pages":"1-4"},"PeriodicalIF":0.0000,"publicationDate":"2011-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2011 5th International Conference on Bioinformatics and Biomedical Engineering","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/ICBBE.2011.5781219","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
A new Ni(II) Complex with N, N, N', N'-tetrakis( benzimidazol-2-yl-methyl )-1, 2-ethanediamine (EDTB) was synthesized and was characterized by using X-ray diffraction method. The crystallographic parameters are as follow: C38H46N10O11SCl2Ni, Mr=980.52, triclinic, a=10.568(4)Å, b=12.078(5) Å, c = 18.868(7) Å, α = 73.700(7)°, β= 77.081(7)°, γ= 84.500(7)°, V=2251.6(15) Å3, Dc=1.446 Mg/m3, Z=2, F(000)=1020, μ=0.664 mm-1, space group is P1̅ .The distortion have taken place between the structure of free ligand EDTB and that in the nickel complex, which caused the complex to be unstable in crystal form. But the holding of aromatic ring packing and hydrogen bonds in the crystal kept the stability of crystal. Based on the crystal data, the quantum chemistry calculation was performed. Both the crystal structure and the computational results show that the nickel complex presents certain biological activity of eliminating superoxide anion radical (O2-·), and this conclusion is proved by the activity data pl50=4.26 of the complex C38H46N10O11SCl2Ni, so it can be called the model complex of nickel-containing superoxide dismutase(MSOD) and has a certain antioxygenic property. On the other hand, nickel is a harmful metal which occurs widely in the wastewater and contaminated soils, and can be transferred through the food chains. The addition of EDTB and the formation of the above complex just can play a role of chemical immobilization of nickel in environmental medium such as water and soils.