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The goal of the successful synthesis of compounds for the subsequent synthesis of a series of 4 - to replace the aniline -6 -(2 - hydroxy replace C oxy) quinazoline compounds laid a good foundation.

目标化合物的顺利合成为以后合成一系列4-取代苯胺-6-(2-羟基取代丙氧基)喹唑啉类化合物奠定了良好的基础。

3D-QSAR studies for one large set of quinazoline type epidermal growth factor receptor inhibitors were conducted using two types of molecular field analysis techniques: comparative molecular field analysis and comparative molecular similarity indices analysis .

采用了CoMFA和CoMSIA方法,进行了几类4-苯胺喹唑啉类抑制剂的三维定量构效关系的研究。

From the calculations, it can be found that the van der Waals interactions, the hydrophobic interactions, as well as the H-bonding interactions are crucial for the ligand binding. The 4-phenylamino group can produce strong van der Waals adn hydrophobic interactions with the nonpolar side chains of the residues deep in the binding cleft. The R^1 and R^2 substituents on the bicyclic chromophore can also produce strong van der Waals and hydrophobic interactions with the residues located at the exterior part of the binding pocket. Moreover, the two N atoms of the quinazoline can form H-bonds with EGFR, which will produce significant contribution to biological activities. The calculated nonbonded interactions between anilinoquinazolines and EGFR, as well as the information obtained from the predicted complexes, can interpret the structure-activities of the inhibitors well, which can afford us important information for structure-based drug design.

从模拟结果得到的抑制剂和靶酶之间的相互作用模式表明范德华相互作用、疏水相互作用以及氢键相互作用对抑制剂的活性都有重要的影响,抑制剂的苯胺部分位于活性口袋的底部,能够与受体残基的非极性侧链产生很强的范德华和疏水相互作用,抑制剂双环上的取代基团也能和活性口袋外部的部分残基形成一定的范德华和疏水性相互作用,而抑制剂喹唑啉环上的氮原子能和周围的残基形成较强的氢键相互作用,对抑制剂的活性有较大的影响,计算得到抑制剂和靶酶之间的非键相互作用能以及抑制剂和靶酶之间的相互作用信息能够很好地解释抑制剂活性和结构的关系,为全新抑制剂的设计提供了重要的结构信息。

With the increase of the TiO〓 content, the H-bonding interaction was strengthened and the characteristic peaks of benzoid, quinoid were shifted. FTIR, Uv-vis, XPS show that the interaction between polyaniline and nanocrstalline is strong.

随着TiO〓粒子含量增加,氢键作用加强,聚苯胺的苯环、醌环等特征吸收峰发生一定程度的偏移。

This showed that the electron density of a quinoid ring increased. The peaks of the quaternary carbon atoms of the benzene rings, which were adjacent to the quinoid ring, also shifted to higher field. But the peaks of other C atoms shifted to lower field.

NMR结果表明苯胺低聚体掺杂后主链上的电荷重新分布,环上的H原子上的电子被C原子吸引,电荷密度降低,在〓 NMR中谱峰向低场移动。C原子的谱峰也相应发生变化,醌环上电荷密度增加,全部C原子的峰向高场移动,与醌环相邻苯环受其影响季碳峰移向高场,非季碳峰移向低场。

Methods Using 4-chloro-2-nitroaniline as a starting compound, followed by substitution, reductive cyclization, oxidation, and chlorination, to give the key intermediate 2,7-dichloroquinoxaline (7), which reacted with different phenolic compounds to afford quinoxaline derivatives.

方法以4氯2硝基苯胺为起始原料经取代、还原关环、氧化、和氯代合成了中间体2,7二氯喹喔啉(7),再在喹喔啉的2位引入不同的取代酚结构单元,合成了一系列共9个新喹喔啉衍生物。

Resorcinol and 2-nitrodiphenylamine may be used as stabilizers.

间苯二酚和2-硝基二苯胺可用作安定剂。

In order to obtained the six-membered ring compound and a thorough assignment of the spectra, and further to prove that the six-membered ring compound was formed from the hydrogen transfer, the compound N-butyl-4-(N-methylphenylamino)-5-amino- 1, 8-naphthalimide 6 was designed to obtained with N-butyl-4-bromo-5-amino-1, 8-naphthalimide and N-methyl phenylamine as the starting material. However it was difficult to obtain the desired product as the different solvent giving the different products except the desired product.

为了能够得到六元环化合物作为定标的物质及其确切的谱图分析结果,并且为了进一步证明由五元环产物通过氢转移得到六元环产物的正确性,设计用N-丁基4-溴-5-氨基-1,8-萘酰亚胺与N-甲基苯胺反应生成N-丁基-4--5-氨基-1,8-萘酰亚胺6,结果发现这种方法很难实现,选择不同的溶剂会生成不同的产物,却都不是目标产物。

An alkaline solution of the sample is treated with acid bleached rosaniline and formaldehyde.

一分样品的碱性溶液用酸漂白的玫瑰苯胺和甲醛处理。

The colour of the sulphur dioxide/rosaniline complex is determined photometrically at a wavelength of 570 nm.

二氧化硫/玫瑰苯胺络合物的颜色以波长570 nm进行光学测定。

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