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141.
自Hansch等创立QSAR法以来,药物构效关系的研究已获得较大的进展。本文将模式识别法用于芬太尼衍生物构效关系的研究,将该类药物的分子结构看作与生物活性具有对应关系的表现形式——模式,以药物分子结构中有关取代基的多个量子化学参数为数量化的模式向量成分。将已知生物活性的药物作为模式识别训练点,则所得模式识别分类图反映了该类药物的生物活性与其量子化学结构特征参数间的统计学意义的关系。它既可用来探寻高效药物的结构参数,又能预测新设计药物生物活性的等级或类别。 相似文献
142.
本文将3-三氰基乙烯基-N-十六烷基吲哚与花生酸混合制成单分子膜。不同摩尔比混合膜的π-A曲线均出现平台,表明膜压缩过程中分子排列相态发生变化。混合LB膜的紫外吸收光谱证明吲哚分子形成聚集体,X-射线衍射结果说明这种聚集体被夹带在花生酸的框架结构中。 相似文献
143.
《Electroanalysis》2003,15(4):287-293
Homooxacalix[3]arene derivatives are effective ionophores for constructing serotonin‐selective membrane electrodes. An electrode based on one of the derivatives, tris(methoxyphenylpropyloxy)hexahomooxacalix[3]arene‐triethyl ether, with potassium tetrakis(p‐chlorophenyl)borate (20 mol% relative to the ionophore) as an ionic additive and bis(2‐ethylhexyl) sebacate as a solvent mediator in a poly(vinyl chloride) membrane matrix, displayed much better selectivity for serotonin than for various organic ammonium ions and inorganic cations. The electrode exhibited a near‐Nernstian response to serotonin in the concentration range of 2×10?4 to 1×10?2 M with a slope of 56.4 mV per concentration decade in physiological saline containing 150 mM NaCl and 10 mM Na2HPO4/NaH2PO4 (pH 7.4). The limit of the detection was 8×10?5 M. The selectivity pattern of this electrode was quite different from that of an electrode using calix[6]arene‐hexaacetic acid hexaethyl ester, a well‐known ionophore for primary organic ammonium ions, which did not induce an enhanced response to serotonin. The developed electrode was used for the active loading of serotonin in liposomes induced by transmembrane pH gradients. 相似文献
144.
The complex (ptppf)Fe(CO)3 has been prepared in high yield by the reaction of ptppf, l-(diphenyl-phosphino)-l'-(phenylthio)ferrocene, with (cis-cyclooctene)2-Fe(CO)3 in THF at ?60°C. The complex has been characterized by IR, 31P NMR, mass spectrometry and single-crystal X-ray diffraction. This compound is the first example of a ferrocenyl ligand having both sulfur and phosphorus donor atoms bound to a Fe(CO)3 moiety. X-ray crystallography shows that the two cyclopentadienyl rings are approximately eclipsed, a rotation of 13° from exactly eclipsed conformation. The tricarbonyl iron center has a trigonal bipyramidal geometry with sulfur occupying the equatorial site and phosphorus the axial site. Crystals of (ptppf)Fe(CO)3 are monoclinic, with a = 11.645(2), b = 14.304(1), c = 17.075(2) Å,β = 109.23(3)°, Z = 4, and space group P 21/n. The structure was solved according to the heavy-atom method and refined by full-matrix least-squares procedures to R = 0.037 for 2098 reflections with I ≥ 2.5σ(I). 相似文献
145.
取代硫脲化合物对作物的生长调节作用 总被引:2,自引:0,他引:2
取代脲类化合物已广泛用作除草剂、杀虫剂、杀鼠剂。根据结构活性关系,亦对烯丙基、甲基、二芳基取代硫脲衍生物的植物生长调节活性进行了研究。本文合成了3类取代硫脲化合物:R_1NHCSNHR_2,其中:R_1=苯基,α-萘基,叔丁基,R_2=α-苯基乙 相似文献
146.
Yuanyuan Cui Yaoyang Meng Yun Hu Yuqi Chen Yixian Yang Min Fang Cun Li Weiju Zhu 《中国化学会会志》2023,70(1):68-75
A novel fluorescent probe, LCH , based on dicyanisophorone and carbazole, was prepared for the visual detection of Cu2+. The probe LCH could recognize Cu2+ by fluorescence quenching in EtOH/H2O (1/4, v/v) solution, which could be easily identified under the 365 nm UV lamp, and the detection limit was as low as 0.785 μM. The recognition mechanism of probe LCH with Cu2+ was determined by combining 1H NMR titration, MS, and theoretical calculations. Practical application experiments showed that probe LCH could be used to detect Cu2+ in the test strip experiments. Cell imaging experiments showed that the probe LCH owned good cell permeability and could be applied to the imaging of Cu2+ in HepG2 cells. In addition, fluorescence colocalization experiments showed that LCH could target lipid droplets. These results indicate that the probe LCH will have a good application prospect in environmental detection and clinical medicine. 相似文献
147.
148.
四(2,4—二叔戊基苯氧基)酞菁铜(Ⅱ)的合成及其LB膜 总被引:5,自引:3,他引:5
合成了标题酞菁铜衍生物,并通过元素分析,高压液相色谱,紫外光谱,红外光谱,核磁共振谱,电镜,顺磁共振谱及质谱加以确认。该化合物在稀氯仿溶液和LB膜中各以单,双分子缔合的形式存在。Z型沉积形成的单层LB膜对氨气有很高的灵敏度和选择性。 相似文献
149.
本文推导并验证了球形汞膜电极倒导数恒电流溶出分析法理论。确定其理论的应用条件为汞膜厚度不超过4.6×10~(-4)cm,探讨了噪音对灵敏度的影响。 相似文献
150.
A new carbazole functionalized Schiff base CBM was synthesized and characterized. CBM can selectively recognize Cu2+ via UV–vis and fluorescence signal among common biologically relevant metal ions. When Cu2+ was added to CBM, there was a significant enhancement at the maximum absorption wavelength of 393 nm and with a distinct blue shift. The maximum emission peak was significantly attenuated by a factor of about 15 times at 535 nm and the blue shift of emission wavelength was observed. When other metal ions were added, there was no remarkable change at the maximum absorption and emission peak. Under the illumination of 365 nm ultraviolet lamp, the color of the CBM solution changed from light blue to dark blue after the addition of Cu2+. The combination mechanism of CBM with Cu2+ was nicely explored by density functional theory studies. The probe CBM has good cell permeability, fluorescence electron microscopy experiments show that CBM can be used as a fluorescent probe to detect the presence or absence of Cu2+ in Hela cells. Furthermore, the probe CBM can also be used for the detection of copper ions in actual water samples. 相似文献