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酰基吡唑啉酮双席夫碱配合物的电子结构、成键性与生物活性 总被引:13,自引:0,他引:13
The electronic structures of N,N′-bis[(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl) α-furylmethylidyne]ethylendii- mine (and -o-phenylendiimine), and their complexes of transition metals M (M=Ni, Cu, Co, Pd, Pt) have been calculated by B3LYP method of DFT. Their geometries and bonding characters are discussed, and the relationship between their bioactivities and electronic structures are also discussed from the calculated results of electronic populations and frontier orbital energies. 相似文献
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合成了新氨基酸席夫碱试剂1-苯基-3-甲基-4-苯甲酰基吡唑啉酮-5缩β-丙氨酸(HL)及其UO22 ,Cu(Ⅱ),Ni(Ⅱ)和Zn(Ⅱ)配合物.元素分析与摩尔电导值表明,新配合物的组成为[UO2HL2].H2O,[CuHL2].H2O,[NiHL2].2H2O和[ZnHL2].2H2O.运用红外光谱、紫外光谱、核磁共振谱、热谱和磁矩对配合物进行了表征.并考察了铜配合物的极谱行为.结果表明席夫碱以3齿形式配位,配合物中心离子的配位数(除UO22 以外)均为6. 相似文献
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Yan‐Ping Zhang Yue Li Guan‐Cheng Xu Jin‐Yu Li Hua‐Ying Luo Jin‐Yao Li Li Zhang Dian‐Zeng Jia 《应用有机金属化学》2019,33(3)
Two new complexes, namely [Cu6L6] ( 1 ) and [Zn(HL)2] ( 2 ) (H2L = N‐(1‐phenyl‐3‐methyl‐4‐propenylidene‐5‐pyrazolone)‐2‐furancarboxylic acid hydrazide), have been synthesized and characterized. Single crystal X‐ray analysis indicates that complex 1 has a hexanuclear structure and complex 2 exhibits a mononuclear structure. The DNA/bovine serum albumin (BSA) binding properties of complexes 1 and 2 were investigated by absorption spectroscopy and fluorescence quenching. Both complexes could effectively intercalate to DNA with calculated quenching constants of 2.6 × 105 and 1.25 × 105 M?1, respectively. The quenching mechanism of the intrinsic fluorescence of BSA by the complexes was found to be a static one. The cytotoxicities of 1 and 2 were investigated in two human tumor cell lines, human esophageal cancer cells (Eca‐109) and cervical cancer cells (HeLa). Complex 1 exhibits higher antitumor activity than 2 . Furthermore, 1 can inhibit HeLa cells by inducing apoptosis and G0/G1 phase cell cycle arrest. All results demonstrate that 1 and 2 both have DNA/BSA binding capacity and antitumor activity. 相似文献
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Many explorations of transition metal (M)‐L system under solvothermal condition, have led to the syntheses of two new 4‐heterocyclic acylpyrazolone complexes [Co(L)2(CH3OH)2] (HL = 1‐phenyl‐3‐methyl‐4‐(2‐furoyl)‐5‐pyrazolone) ( 1 ) and [Cr(L)3] ( 2 ). Single‐crystal X‐ray analyses reveal that crystal structures of compound 1 and 2 are respectively orthorhombic, Pbca, a = 15.0378(6) Å, b = 9.8405(4) Å, c = 20.7321(8) Å, V = 3067.9(2) Å3, Z = 8 and triclinic, P‐1, a = 10.7966(18) Å, b = 13.023(2) Å, c = 15.520(3) Å, α = 73.011(4)°, β = 84.884(4)°, γ = 70.267(4)°, V = 1964.3(6) Å3, Z = 2. Complex 1 has a two‐dimensional (2D) network structure that is formed by O–H···N H‐bonding interactions. Complex 2 makes a one‐dimensional (1D) zigzag chain structure by intermolecular π···π interactions, which is further interlinked via C–H···N H‐bonding interactions to generate a 2D sheet, and then a three‐dimensional (3D) supramolecular network structure is further linked by intermolecular C–H···π interactions. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
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酰基吡唑啉酮缩邻苯二胺希土配合物的合成、表征及生物活性 总被引:27,自引:0,他引:27
酰基吡唑啉酮缩二胺是近年开发的双席夫碱试剂,对希土离子具有较高的萃取性能,并表现出一定的抗菌、抗病毒生物活性。由于这类试剂含有活性的羟基和亚胺基官能团,适于同各种金属离子配位。最近我们研究了酰基吡唑啉酮缩乙二胺配合物,发现它们具有一定的传递电子作用、光致发光作用和较强的抗菌生物活性。但缩芳香二胺双席夫碱配合物的研究较少,为进一步拓宽酰基吡唑啉酮类配合物的研究领域,本文合成了11种未见报道的希土元素与N,N'-双[1-苯基-3-甲基-5-氧-4-吡唑啉基)α-呋喃次甲基]邻苯二亚胺((HPMαFP)2Pen)的配合物。研究了配合物的结构,一般性质和抗菌活性。 相似文献
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呋喃甲酰基吡唑啉酮双席夫碱配合物的合成及其生物活性 总被引:10,自引:1,他引:10
呋喃甲酰基吡唑啉酮双席夫碱配合物的合成及其生物活性李锦州*于文锦杜晓燕(哈尔滨师范大学化学系哈尔滨150080)(哈尔滨医科大学公共卫生学院哈尔滨)关键词酰基吡唑啉酮,双席夫碱,配合物,合成,生物活性1997-06-16收稿,1997-09-09修回... 相似文献
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Hui‐Hui Zhang Jin‐Zhou Li Heng‐Qiang Zhang Peng Li 《Crystal Research and Technology》2014,49(2-3):171-177
A new double Schiff base complex, Cu(PMαFP)2en (HPMαFP = 1‐phenyl‐3‐methyl‐4‐(2‐furoyl)‐5‐pyrazolone, en = ethylenediamine), has been synthesized and characterized by elemental analysis, IR, UV, fluorescence spectra, thermal analysis, X‐ray single crystal diffraction and cyclic voltammetry (CV). Its crystal structure is monoclinic with space group Pbca and cell parameters: a = 22.263(3)Å, b = 13.671(2)Å, c = 10.0920(16)Å, Z = 4, S = 1.028, R1 = 0.0500 and wR2 = 0.1285. It was found that the Cu2+ ion is located in the coordination center. The Cu(II) has a slightly distorted plane quadrilateral coordination environment with two oxygen atoms and two nitrogen atoms of double Schiff base ligand in the equatorial plane. The complex has a one‐dimensional chain supramolecular structure, which is connected by C H…N bonding interactions. In the electrochemical experiments, the CV curve displays an oxidation peak in the presence of uric acid with Ep = 0.216V in pH = 7.0, showing that the Cu(PMαFP)2en/glassy carbon modified electrode has an electrocatalytic activity toward uric acid. 相似文献