Notice of RetractionCrystal Structure and Antioxygenic Property of a New NiSOD Model Complex and Its Probability of Application in Heavy Metal Removal

Junjie Yue, Xin Feng, Y. Xie
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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.
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一种新型NiSOD模型配合物的缩回、晶体结构、抗氧性能及其在重金属去除中的应用前景
合成了一种新的Ni(II)配合物,与N, N, N', N'-四akis(苯并咪唑-2-基甲基)- 1,2 -乙二胺(EDTB)配合,并用x射线衍射方法对其进行了表征。晶体学参数为:C38H46N10O11SCl2Ni, Mr=980.52,三斜,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,空间群为P1′。游离配体EDTB与镍配合物的结构发生畸变,导致配合物的晶体形态不稳定。但芳香环填料和氢键的存在保持了晶体的稳定性。基于晶体数据,进行了量子化学计算。晶体结构和计算结果均表明,该镍配合物具有一定的清除超氧阴离子自由基(O2-·)的生物活性,配合物C38H46N10O11SCl2Ni的活性数据pl50=4.26也证明了这一结论,因此该配合物可称为含镍超氧化物歧化酶(MSOD)的模型配合物,具有一定的抗氧化性能。另一方面,镍是一种有害金属,广泛存在于废水和受污染的土壤中,并可通过食物链转移。EDTB的加入和上述络合物的形成正好可以在水、土壤等环境介质中起到镍的化学固定化作用。
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