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B3LYP/6-311++G** calculations were carried out to study the trimethylamine catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde.

采用密度泛函DFT-B3LYP方法在6-311++G**基组下计算研究了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反应的微观过程,获得了两种反应通道(分别对应于顺式-丙烯醛和反式-丙烯醛)的势能面。

The optimized structures and energies of the reactants, intermediates, transition states and products of two reaction channels (corresponding to syn-acraldehyde and anti-acraldehyde) in gas or in methanol solvent were obtained. The potential energy profiles reveal the processes of the trimethylamine-catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde in gas or in methanol solvent at the microscope level.

通过研究,获得了三种情况下两种反应通道(分别对应于顺式-和反式-丙烯醛)中涉及的反应物、产物、中间体、过渡态的优化结构及其能量,并由此得到了反应的势能面图,在电子微观层次上揭示了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反应的微观过程。

The experimental results were followed:(1) LY402 could degrade chlordane in an aerobic environment. The percent of chlordane degradation at 1.0 mg /L was more than 94% after 4 days at 30℃. When exposed to a concentration as high as 10.0 mg/L, LY402 could still degrade 61% of chlordane. There was no obvious difference between cis-chlordane and trans-chlordane in the mixture on biotransformation rate.

实验结果表明:(1)在好氧条件下,LY402能够有效降解氯丹,对于1mg/L的顺式氯丹和反式氯丹混合物,在30℃下,经过4天的好氧降解,其总降解率接近95%,进一步将氯丹混合物的总量增加到10.0mg/L,其4天的总生物降解速率仍然能够达到64%,其中,顺式氯丹和反式氯丹的生物降解速率没有明显区别。

Configurational isomerism is then due to the presence in the molecule of one or more dissymmetric centres ,in the simplest case asymmetric carbon atoms ,each of which can have and absolute configuration; and ,or ,to the presence of double blonds which can give cis- and trans-geometrical isomers .

构型异构是由于分子中存在一个或一个以上的不对称中心,在最简单的情况下是不对称碳原子,每个不对称碳原子的绝对构型是和;或者,如果存在双键的话,那么将给出顺式和反式几何异构体。

The main compounds in the natural terpineol oil were eucalyptol, trans4thujanol, pisopropenyl toluene, cis4thujanol, linalool, camphor, borneol, 4terpineol,αterpineol and safrole.

天然松油醇粗油中主要成分是1,8桉叶素、反式4艹守醇、p异丙烯基甲苯、顺式4艹守醇、芳樟醇、樟脑、龙脑、4松油醇、α松油醇和黄樟素。

SCE. The peak height is directly proportional to the concentration of maleic acid over a range of 0.07~50μg/ml.

允许共存顺式与反式丁烯二酸的浓度比为1∶250.20次测量的相对标准偏差为1.1%。

From our results, the first structure model of monomeric monocot lectin was established. In addition, the accurate molecular size and amino acid sequence were determined by crystallographic method.

与雪花莲凝集素GNA亚基结构的比较,发现二者C端98~112位氨基酸的肽链走向完全不同,其主要原因是98位与99位残基间的肽键构型不同,GNA为顺式肽键,而GAFP为反式肽键。

The experiment results demonstrate that this solid photosensitizer is efficient for the photoisomerization and easy for separated from the reaction mixtures.

实验结果表明,此固相光敏剂能够有效地敏化反式维生素D3为顺式维生素D3的反应,并且非常容易从反应体系中分离出来。

Neural networks based on local sequence and amino acid component with the best structures and linear equation are constructed. The results of testing to the networks indicate that the forming of cis-proline has distinct relationships with local sequence and amino acid component. A new method for peptidyl prolyl cis/trans conformation prediction based on the theory of support vector machines was introduced. The SVM represents a new approach to supervised pattern classification and has been successfully applied to a wide range of pattern recognition problems.

通过运用神经网络与线性拟合的方法,揭示了脯氨酸局部序列、肽链氨基酸组分对于顺式脯氨酸形成与否的影响,构造了基于局部序列和基于氨基酸组分的最优结构的神经网络,以及线性拟合方程,同时对顺式脯氨酸进行了筛选,结果表明,利用神经网络的方法可以提高顺式脯氨酸筛选时的信噪比,脯氨酸采取顺式还是反式构象与其局部的序列以及整条肽链的氨基酸组分均有较强的关联。

According to the results of the examination, the stronger the electron-withdrawing protective group of imines, the better the cis-selectivity of the reaction, 68% yield, trans:cis is 99:1 diastereoselectivity could be leaded by Ts-imines (4-methyl-N-methylene-benzenesulfonaides) with a substituent [2,4-(CH3O)2C6H3], Substrate scope investigation revealed that a wide variety of ketenes and imines could react smoothly to afford corresponding,β-lactams.

实验结果表明,亚胺的保护基团吸电子能力越强,越有利于顺式产物的生成。对甲苯磺酰基保护的取代基为2,4-二甲氧苯基的亚胺参与的该反应可得到68%的产率,反式:顺式=99:1的非对映选择性。底物拓展过程中发现Staudinger反应适用于多种不同的亚胺与烯酮。

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