排序方式: 共有24条查询结果,搜索用时 15 毫秒
1.
卤代苯和苯酚衍生物的位电荷密度能和logKow与-lgLC50的QSAR研究 总被引:7,自引:0,他引:7
以简易的量子化学方法计算了二十多种卤代苯和苯酚衍生物的FMO位电荷密度 能,并进行定量结构-活性相关(quantitive structrue biodegradability)研究 ,获得满意的结果。最后从生物酶促反应本质、污染物-生物酶的轨道控制反应角 度对QSAR提出新的解释。 相似文献
2.
Tao Liu Yong-Gang Wei Qi-Hua Wu Qing-Xiang Guo 《Research on Chemical Intermediates》2005,31(9):833-844
A series of adamantanamine-(OCH2CH2)n-phenothiazine (n = 0, 1, 2, 3) electron donors was synthesized. Photoinduced electron transfer was observed in the supramolecular complex
of the phenothiazine derivatives with p-nitrobenzoyl-β-cyclodextrin (NBCD) through binding of the adamantyl group by the NBCD cavity, which is stabilized clearly via hydrophobic interactions in aqueous solution. Detailed Stern–Volmer constants were measured and they were partitioned into
dynamic Stern–Volmer quenching constants and static binding constants. The results revealed an efficient electron transfer
process inside the supramolecular systems compared to that controlled by diffusion. This observation also indicates that the
chain length will influence the electron transfer efficiency of a supramolecular donor–acceptor system. 相似文献
3.
稀土冠醚配合物的研究XV. 稀土硝酸盐与臂型冠醚配合物的合成 和性质研究 总被引:4,自引:0,他引:4
本工作以6-羟基-2,3,9,10-二苯并-1,4,8,11,14-五氧杂-环十六-2,9-二烯(1)及其衍生物(2,3和4)为配体,在乙腈中合成了十八种新的稀土硝酸盐配合物。其中羧酸冠醚4与稀土硝酸盐[Ln(NO~3)~3]分别形成2:1型(Ln=La,Ce,Pr,Nd)、4:3型(Ln=Sm)和3:4型(Ln=Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Y)配合物;冠醚1与La(NO~3)~3形成1:1型配合物;冠醚2,3与La(NO~3)~3均形成2:1型配合物。对所得配合物进行了元素分析、紫外光谱、红外光谱、^1H核磁共振、X射线光电子能谱等性质研究。对臂型冠醚中边臂的配位作用进行了初步讨论。 相似文献
4.
棒丝氨酸的全合成研究I. 从D-葡萄糖合成3-[3'R, 5'S)-7'-氧代-1'-氮杂-4'-氧杂双环[3.2.0]-庚-3'-基]-3-O-苄基-(2S, 3S)-丝氨酸及其(3'R, 5'R)-差向异构体 总被引:2,自引:0,他引:2
以D-葡萄糖为原料经侧链氨基酸合成, 与β-内酰胺缩合, 唑烷环合和除保护基等反应合成了棒丝氨酸的O-苄基衍生物, 3-[3'R, 5'S)-7'-氧代-1'-氮杂-4'-氧杂双环[3.2.0]-庚-3'-基]-3-O-苄基-(2S, 3S)-丝氨酸及其(3'R, 5'R)-差向异构体(18)。 相似文献
5.
The photoconductivities of a series of novel polyacetylene derivatives (PAs) serving as charge generation materials in the single-layered photoreceptors were investigated using photoinduced xerographic discharge technique. It was found that the substitution can improve the photosensitivity of PAs by increasing the conjugation of π electrons. When the substituent is itself photoconductive, the photoconductivity becomes even higher. It can be concluded from cyclic voltammetry that when the HOMO level of the polymer is closer to that of the charge transport material, the photoconduction performance will be better. 相似文献
6.
Reactions of eaq-, H-atom and OH radicals with 3-pyridine methanol (3-PM) and 3-pyridine carboxaldehyde (3-PCA) have been studied at various pHs using pulse radiolysis technique. eaq- was found to be highly reactive with both 3-PM and 3-PCA (k approx. 1010 dm3 mol1 s-1). Semi-reduced species formed in both cases were strongly reducing in nature. In the case of 3-PM, electron addition leads to the formation of pyridinyl radicals whereas in the case of 3-PCA, PyCHOH type radicals are formed. At pH 6.8, H-atom reaction with 3-PCA also gives semi-reduced species (PyCHOH), whereas at pH 1, H-atoms add to the ring. (CH3)2˙COH radicals were found to transfer electron to 3-PCA at all the pH values tested and by making use of changes in the absorption spectra, pKa values of the semi-reduced species were determined to be 4.5 and 10.6. OH radicals were found to undergo addition reaction with 3-PCA, whereas in the case of 3-PM they reacted by H-abstraction as well as addition reaction. By following the yield of methylviologen radical cation formed by electron transfer reaction, it was estimated that approx. 50% of OH radicals react with 3-PM by H-atom abstraction at pH 6.8, giving reducing radicals, whereas at pH 3.2, where 3-PM is in the protonated form, the same is only about 10%. At pH 13, O-˙ radical anions were found to react exclusively by H-atom abstraction. Reaction of SO4-˙ radicals with 3-PCA was found to give a species identical to the one formed by one electron reduction of nicotinic acid at acidic pH values. 相似文献
7.
We present the complete asymptotic expansion for a generalization of the Baskakov-Szasz-Durrmeyer operators and their derivatives. 相似文献
8.
1,1’—联—2—萘酚在不对称催化中的应用新进展 总被引:6,自引:0,他引:6
光学活性的1,1’—联—2—萘酚(BINOL)及其衍生物作为优异的手性配体应用 于不对称催化中已取得了巨大进展,显示出广阔的应用前景.对BINOL小分子和高 分子在各种不对称催化反应中的最新进展和发展方向进行了评述,并介绍了有关 BINOL的几种新型催化策略. 相似文献
9.
10.
2H-1,2,4-噻二唑并[2,3-α]嘧啶衍生物的合成及除草活性研究(Ⅴ) 总被引:8,自引:3,他引:8
合成了10个未见文献报道的目标化合物,结构经IR,^1H NMR,MS和元素分析确 证。初步除草活性测定结果表明:目标化合物具有高效、选择除草活性,主要抑制 双子叶植物(如油菜)的生长,而对单子叶植物(如玉米)具有较好的促进生长作 用。 相似文献