机译:Catechol氧化酶中铜活性位点的结构和功能模型-固态和溶液中的合成,X射线晶体结构,磁性和光谱性质以及X射线吸收光谱研究
with the following unit cell parameters: a = 7.702(3) Angstrom, b = 10.973(6) Angstrom, c = 12.396(6) Angstrom, alpha = 100.59(4)degrees, beta = 99.02(4)degrees, gamma = 98.90(4)degrees, V = 998.7(8) Angstrom(3), and Z = 1. [Cu(2)bbpen(2)](ClO4)2 . 3MeOH, 4, crystallizes in the orthorhombic space group Peen, with the following unit cell parameters: a = 17.478(9) Angstrom, b = 18.795(8) Angstrom, c = 13.888(6) Angstrom, V = 4562.2(4) Angstrom(3), and Z = 4. Magnetic susceptibility measurements in the temperature ranges 4.6-459 K (3) and 4.6-425 K (4) indicate an antiferromagnetic coupling between the Cu(II) centers of both complexes. In order to determine the structures of the complexes in solution, XAS spectra (EXAFS and XANES) were recorded in the solid state and in solution. The interpretation of these data, including multiple scattering calculations, together with UV-vis titrations, shows that the complexes have the same structure in the crystalline state as well as in methanolic solution. Complex 4 is able to oxidize 3,5-di-tert-butylcatechol (3,5-DTBC) to the quinone (catecholase activity). This reaction was also studied by XAS and UV-vis spectroscopy. These measurements reveal the reduction of Cu(II) to Cu(I) accompanied by a decrease of the coordination number. [References: 45]
中结晶,具有以下晶胞参数:a = 7.702(3)埃,b = 10.973(6)埃,c = 12.396(6)埃,alpha = 100.59(4)度,beta = 99.02(4)度,γ= 98.90(4)度,V = 998.7(8)埃(3),Z =1。[Cu(2)bbpen(2)]( ClO 4)2。 3MeOH,4,在正交空间群Peen中结晶,具有以下晶胞参数:a = 17.478(9)埃,b = 18.795(8)埃,c = 13.888(6)埃,V = 4562.2(4)埃(3),Z =4。在4.6-459 K(3)和4.6-425 K(4)温度范围内的磁化率测量表明,两种配合物的Cu(II)中心之间都有反铁磁耦合。为了确定溶液中复合物的结构,在固态和溶液中记录了XAS光谱(EXAFS和XANES)。对这些数据的解释(包括多次散射计算以及UV-vis滴定法)表明,该配合物在结晶态和甲醇溶液中均具有相同的结构。配合物4能够将3,5-二叔丁基邻苯二酚(3,5-DTBC)氧化为醌(儿茶酚酶活性)。还通过XAS和UV-可见光谱研究了该反应。这些测量结果表明,Cu(II)还原为Cu(I)伴随着配位数的减少。 [参考:45]
Fine-structure; Exafs; Hemocyanin; Complexes; Proteins; Binding; Ligands; Hydroxylase; Tyrosinase; Forms;
机译:Catechol氧化酶中铜活性位点的结构和功能模型-固态和溶液中的合成,X射线晶体结构,磁性和光谱性质以及X射线吸收光谱研究
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机译:含镍和铜的金属蛋白活性位点的X射线吸收光谱研究。