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1.
以苯乙酸甲酯、水合肼和呋喃甲醛为原料,合成了配体2-甲酰基呋喃苯乙酰腙(H2L:C13H12N2O2),再与六水氯化镍反应,制得配合物Ni(HL)2 (1),并对配体及配合物进行了元素分析和X射线单晶衍射结构表征,结果表明,配体晶体属单斜晶系,P21/c空间群,晶胞参数为:a=1.161 9(3) nm,b=1.359 8(3) nm,c=0.792 16(19) nm,β=109.307(4)°;Ni(Ⅱ)配合物晶体属三斜晶系,P1空间群,晶胞参数为:a=0.455 70(14) nm,b=1.094 7(3) nm,c=1.204 8(4) nm,β=98.302(5)°。利用热重实验研究了H2L和1的热稳定性,并计算了各自热分解过程的表观活化能(Ea),发现配合物的热稳定性要远高于配体。采用微量热法研究了H2L及1与小牛胸腺DNA(CT-DNA)的相互作用,实验结果表明,配合物的作用焓值(ΔH)要大于配体的焓值,说明配合物与CT-DNA的作用要比配体与CT-DNA的作用更强。  相似文献   
2.
Three new kinds of acylhydrazone compounds(C_(12)H_(10)FN_5O·H_2O,1;C_(12)H_(10)Cl N_5O·2CH_3COOH,2;C_(12)H_(10)Br N_5O,3)were synthesized by the reaction of 2-amino-3-pyrazinecarbohydrazide(C_5H_7N_5O)with halogenated benzaldehyde(C_7H_5OX,X=F,Cl,Br).The structures of the three compounds were characterized by elemental analysis,~1H NMR,IR and X-ray diffraction.X-ray single-crystal diffraction presents that the three compounds all belong to triclinic system,P1 space group.Thermal gravity analyses show that three compounds have excellent thermal stabilities and all the thermal decomposition temperature of maximum weight loss was around 300°C.The interactions of the compounds with CT-DNA were investigated by UV-Vis spectrum,fluorescence spectrum and viscosity measurement.All the results suggest that three compounds could bind with CT-DNA through intercalation.The fluorescence spectrum was also used to study the interactions of three compounds with BSA.It was proved that all the compounds could quench the intrinsic fluorescence of BSA via a static quenching process.Compound 2 displays the strongest binding ability both in the reaction with CT-DNA or BSA.Antimicrobial test was carried on Escherichia coli,Staphylococcus aureus and Salmonella,and 2 is more effective against S.aureus.But in MTT assay,1 shows better cytotoxity activity against A549cells.  相似文献   
3.
Three new halogenated pyridyl hydrazones, namely 4-chlorobenzaldehyde-4-chloropyridine-2-formyl acylhydrazone(C(13)H9Cl2N3O, 3 a), 4-bromobenzaldehyde-4-chloropyridine-2-formyl acylhydrazone(C(13)H9BrClN3O, 3 b) and 4-iodobenzaldehyde-4-chloropyridine-2-formyl acylhydrazone(C(13)H9ClIN3O, 3 c), have been synthesized and characterized by elemental analysis, IR, 1 H NMR, and single-crystal X-ray diffraction. The X-ray diffraction analysis revealed that 3 a^3 c crystallize in monoclinic with space group Cc. The units of 3 a ~ 3 c were linked by intermolecular N–H...X(X = Cl, Br, I) hydrogen bonds into 2 D layered structures, which were further extended into 3 D networks by a series of π-π stacking interactions. Thermogravimetric analysis showed that all of them possessed higher thermal stabilities. The reactivities toward calf thymus DNA(ct-DNA) and bovine serum albumin(BSA) of 3 a^3 c were investigated by UV-vis and fluorescent spectroscopy as well as molecular docking simulation. Both theoretical and experimental results indicated that 3 a^3 c bound to ct-DNA in the mode of minor groove binding, and interacted with BSA through the hydrophobic cavity near TRP213. Besides, the orders of binding affinities of 3 a^3 c to ct-DNA and BSA were both 3 c > 3 b > 3 a, which were the same as that of antibacterial activities. Thus, the interactions of iodinated acylhydrazone with biological targets were stronger than that of chlorinated and brominated acylhydrazones, which provided a representative case for halogenation of lead compounds in rational drug design.  相似文献   
4.
The chelate complex of Cu2+ with 2-hydroxy-(4-methylthio)butanoate(MHA-H, the anion derived from the so-called methionine hydroxy-analogue, largely used in animal nutrition as a source of methionine, MHA) is an efficient, bioavailable trace mineral additive for animal feeding. The structure of MHA-H copper chelate was investigated by single-crystal X-ray diffraction. The crystal structure(C10H18Cu O6S2, 1, monoclinic, space group P21/c, Z = 2, a = 16.158(4), b = 4.9733(12), c = 9.159(2) ?, β = 104.786(4)°) exhibits that two MHA-H ligands coordinate with a CuII ion to form a square-planar environment completed to an octahedron through interaction with carbonyl oxygens of neighboring molecules, which expand to constitute a two-dimensional sheet coordination network. And a separation between the hydrophilic and lipophilic moieties like micelles was found in the packing structure. X-ray powder diffraction and thermogravimetric analysis were used to study the phase purity of the bulk sample and thermostability of complex 1, respectively.  相似文献   
5.
以2-氨基噻唑-4-甲酸乙酯和水合肼为原料,制得2-氨基噻唑-4-甲酰肼(2);2与卤代(F,Cl,Br)对苯甲醛反应,合成了3种新型的含卤噻唑类酰腙化合物[C_(11)H_9N_4OSF(3a),C_(11)H_9N_4OSCl(3b)和C_(11)H_9N_4OSBr(3c)],其结构和性能经元素分析,XRD和TG-DTG表征。结果表明:3a和3c属于三斜晶系,Pī空间群;3b属于单斜晶系,P2(1)/c空间群。3a~3c的热稳定性均较好,最大热分解过程的表观活化能均大于100 k J·mol~(-1)。采用UV-Vis研究了3a~3c与小牛胸腺DNA(CT-DNA)的相互作用。结果表明:3a~3c与CT-DNA均以插入方式相互作用。  相似文献   
6.
以2-吡咯甲酰肼与2,4-二羟基苯甲醛和2-羟基-3-甲氧基苯甲醛经缩合反应合成2,4-二羟基苯甲醛-2-吡咯甲酰腙C_(12)H_(11)N_3O_3(Ⅰ)和2-羟基-3-甲氧基苯甲醛-2-吡咯甲酰腙C_(13)H_(15)N_3O_4(Ⅱ),并利用红外光谱、元素分析、~1H NMR、X射线单晶衍射和热重分析进行表征,结果表明晶体Ⅰ属单斜晶系,空间群为P21/c,Z=4,晶胞参数为a=1.2586(4)nm,b=0.8050(3)nm,c=1.1914(4)nm;晶体Ⅱ为正交晶系,空间群为P2_12_12_1,Z=4,晶胞参数为a=0.4756(2)nm,b=1.2491(6)nm,c=2.2145(11)nm。热重结果显示,化合物Ⅰ和Ⅱ最大热分解峰分别出现在267.59和284.79℃,表观活化能分别为176.6和122.9 k J/mol,表明化合物Ⅰ和Ⅱ具有较高的热稳定性。利用粘度实验和微量热实验研究了化合物Ⅰ和Ⅱ与CT-DNA的相互作用,均显示两种化合物均与CT-DNA发生了插入作用,且相互作用过程放热,焓变值分别为ΔH(Ⅰ)=4.67 k J/mol和ΔH(Ⅱ)=4.40 k J/mol。  相似文献   
7.
金属卟啉类超分子催化剂   总被引:2,自引:0,他引:2  
杨再文  杨进  黄晓卷  唐宁  吴彪 《化学进展》2009,21(4):588-599
金属卟啉类超分子催化剂是超分子催化研究领域的重要内容之一,其关键环节是以金属卟啉为基础构建超分子微反应器,使反应活性中心处在一个特定的微环境中,从而实现高的催化效率和选择性。本文分别从超分子催化剂母体结构构筑(借助环糊精、模板等)和催化应用(模拟细胞色素P-450系列酶、光电催化等)的角度详细评述了近年来金属卟啉类超分子催化剂的设计、结构及催化作用的研究进展,并对该研究领域的前景进行了展望。  相似文献   
8.
以2-氯吡啶-4-甲酸甲酯(1)和水合肼缩合生成2-氯吡啶-4-甲酰肼(2),2与卤代(F,Cl,Br)对苯甲醛反应得到3种新型双卤代吡啶酰腙[C13H9N3OFCl(3a),C13H9N3OCl2(3b)和C13H9N3OClBr(3c)],其结构经1H NMR,13C NMR,IR和元素分析表征。紫外光谱证实,3a^3c与小牛胸腺DNA(ct-DNA)均产生了插入作用。荧光光谱显示,3a^3c均与牛血清蛋白BSA通过静态猝灭形成了复合物。3a^3c与ct-DNA,BSA的结合常数Kb及KA的关系均为3b>3c>3a。抑菌测试结果表明:3种酰腙化合物对大肠杆菌、金黄色葡萄球菌、枯草芽孢杆菌及铜绿假单胞菌等4种细菌的抑菌圈均超过8 mm。其中,3a对4种细菌的最大抑菌圈达10.97 mm。  相似文献   
9.
以苯乙酸甲酯、水合肼和呋喃甲醛为原料, 合成了配体2-甲酰基呋喃苯乙酰腙(H2L:C13H12N2O2), 再与六水氯化镍反应, 制得配合物Ni(HL)2 (1), 并对配体及配合物进行了元素分析和X射线单晶衍射结构表征, 结果表明, 配体晶体属单斜晶系, P21/c空间群, 晶胞参数为:a=1.161 9(3) nm, b=1.359 8(3) nm, c=0.792 16(19) nm, β=109.307(4)°;Ni(Ⅱ)配合物晶体属三斜晶系, P1 空间群, 晶胞参数为:a=0.455 70(14) nm, b=1.094 7(3) nm, c=1.204 8(4) nm, β=98.302(5)°。利用热重实验研究了H2L和1的热稳定性, 并计算了各自热分解过程的表观活化能(Ea), 发现配合物的热稳定性要远高于配体。采用微量热法研究了H2L及1与小牛胸腺DNA(CT-DNA)的相互作用, 实验结果表明, 配合物的作用焓值(ΔH)要大于配体的焓值, 说明配合物与CT-DNA的作用要比配体与CT-DNA的作用更强。  相似文献   
10.
利用6-溴-2-萘甲酸甲酯和水合肼缩合生成6-溴-2-萘甲酰肼,再与卤代苯甲醛反应得到三种新型双卤代萘甲酰腙(C_(18)H_(12)BrXN_2O,X=F、1,Cl、2,Br、3)。X-射线单晶衍射表明三种酰腙化合物均属单斜晶系,P21空间群。三种酰腙化合物最大热分解处的温度均超过330℃,说明它们都具有较高的热稳定性。荧光光谱显示每个酰腙化合物都与牛血清蛋白(BSA)通过静态猝灭的方式形成了复合物,与BSA的结合常数KA均在105L·mol~(-1)左右,表明它们之间的结合能力较强。紫外-可见光谱表明三种酰腙化合物与小牛胸腺DNA(ctDNA)的作用模式均为嵌插互入作用,1、2、3与ct-DNA的结合常数Kb分别为5.94×108L·mol~(-1)、4.29×108L·mol~(-1)和5.96×108L·mol~(-1)。  相似文献   
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