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The model includes one β-trypsin, two amylamine molecules, four sulfates, one calcium, and 135 water molecules.

结果表明,正戊胺于环已烷中和β-牛胰蛋白酶有强结合作用,一个戊胺分子结合到酶活性中心;另一个结合在β-牛胰蛋白酶的表面,与也被结合的硫酸根形成氢键。

There may be an interpretation of bimolecular cyclohexane-type mechanism for n-hexane isomerization on H-mordenite.

用双分子六元环反应中间物机理能较好地解释正己烷在氢型丝光沸石上的异构化过程。

RESULTS:In the Chenxiang Lubailu table,the identification of bismuthic salt positive result with dilute nitric acid instead of hydrochloric acid and the white precepitation formed in identification of magnesian was bismuth hydroxide sediments,it was easy and accurate to identify bismuthic salt by adding ascorbic acid.

结果:该片中的铋盐碘化钾鉴别反应,用稀硝酸代替盐酸做溶剂,呈正反应;镁盐氯化铵-磷酸氢二钠鉴别反应,加氨试液后,析出的白色沉淀不是Mg2,而是Bi3,该沉淀在氯化铵试液中不溶,干扰镁盐鉴别;铋盐含量测定项,用加抗坏血酸掩蔽剂的方法,排除Fe3+的干扰,使终点颜色稳定,易于准确判断。

Reaction trends of catalytic desulfurization of thiophene were determined based on the reaction energy needed, which was obtained with the AM1 calculation results of thiophene and possible carbonium ions on transition state.

采用半经验AM1计算方法,利用静态理论对噻吩在分子筛催化剂上的催化裂化脱硫机理进行了量子化学计算研究,通过对噻吩分子和可能产生的中间正碳离子的量子化学计算,得到各中间反应所需的能量,从而判断噻吩催化裂化脱硫反应的趋势,证实了氢转移反应在催化裂化脱硫中所起的作用。

The results show that the formation of dry gas is abided by reaction mechanism involving the cleavage of pentacoordinated Carbonium ion which is formed by the protonation of alkanes over acidic catalyst.

结果表明,烷烃分子首先在催化剂酸性中心作用下发生质子化反应,烷烃分子链上易受到氢质子进攻的位置一般在其叔碳原子或碳链中心碳原子附近的C—H键或C—C键处,形成两种反应过渡态物种——五配位正碳离子H-Carbonium和C-Carbonium。

To explore the climatic implication of compound-specific hydrogen isotope ratios of sedimentary n-alkanes, the author sampled shallow sediment cores respectively from the climatically and environmentally distinct basins Qiangyong Glacier Lake,Kongmu Co Lake,Nam Co Lake, Keluke Lake and Xiao Qaidam Lake along a S-N transect on the Tibetan Plateau for the extraction and analysis of these biomarkers.

本文分别在青藏高原南部的大枪勇错、空姆错,中部的纳木错以及东北部的克鲁克湖和小柴达木湖钻取了浅岩芯,通过对沉积物中正构烷烃的提取分析和单体氢同位素比值的测定来探讨该类生物标志物单体δD值的气候指示意义。

It could be synthesized by a key intermediate 2-pentylidene cyclopentanone formed a condensation starting from cyclopentanone and n-valeraldehyde, followed by isomerization, Michael addition and a selective decarboxylation.

本文研究了以正戊醛和环戊酮为基本原料,经缩合反应、异构化反应、Michael加成反应和脱羧反应等制备二氢茉莉酮酸甲酯的化学合成方法和工艺。

A synthesis of 2-pentylidene cyclopentanone starting from cyclopentanone and n-valeraldehyde through aldol condensation, followed by dehydration, was studied, and the yield reached 85.6%. 2-Pentenyl cyclopentanone was prepared in a yield of 95.0% from 2-pentylidene cyclopentanone with a hydrogenation methodology. Through Baeyer-villiger oxidation,δ-decalactone was synthesized in a yield of 63.9% from 2-pentenyl cyclopentanone with hydrogen peroxide.

研究了以正戊醛和环戊酮为起始原料,经羟醛缩合、脱水反应合成2-戊叉环戊酮,产率达到85.6%,2-戊叉环戊酮加氢制备2-戊基环戊酮,产率为95.0%,2-戊基环戊酮在双氧水作用下经Baeyer-villiger氧化重排反应合成δ-癸内酯,反应产率为63.9%,合成δ-癸内酯的总产率为52.0%,气相色谱分析纯度为98.7%。

The orthogonal experimental result showed that the optimum reaction conditions were as follows: citric acid 7.7 g, isoamyl alcohol 21.7 mL(the molar ratio of citric acid to isoamyl alcohol, 1:5); 1.0 g (4% of the total weight of raw material) NaHSO4H2O as catalyst; 25 mL dimethyl benzene as deaquation reagent; microwave irradiation time 15 mm; the yield of product was 83.2%(the rate of esterification was 95.1%).

通过正交实验,得到最佳的工艺条件如下:柠檬酸7.7g,异戊醇21.7mL(酸醇摩尔比为1:5);一水合硫酸氢钠作催化剂,用量为1.0 g(为原料总质量的4%);带水剂为二甲苯,用量为25mL;微波辐射时间为15min。

The thermodynamics was calculated in detail for dodecane to dodecene by catalytic dehydrogenation at low temperature and high pressure.

较为系统地计算了正十二烷脱氢的主反应在较低温度和较高压力下的热力学数据,并对较高压力下的浓度和热力学函数进行了校正。

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