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To understand how the crystal conformer converts to the active conformer, here the internal rotation potential energy surface around the two C—N bonds in the sulfonylurea bridge of monosulfuron has been studied by density functional B3LYP method and 6-31G basis set.

应用密度泛函理论在B3LYP/6-31G水平上对新型除草剂单嘧磺隆绕脲桥部分两个C—N键的内旋转势能面进行计算,然后对势能面上的驻点进行构型优化和过渡态搜索,得到单嘧磺隆4种稳定构象和构象转换过程所涉及的8个过渡态结构。

1H NMR spectroscopic analysis of aromatic protons combined with theoretical analysis of molecular structures proved the existence of two rotational isomers at 300 K, as well as a rapid interconversion equilibrium at 330 K for both compounds Ⅰ and Ⅱ. However, only one conformer exists for compound Ⅲ and puerarin containing 7-phenolic hydroxyl instead of propyl in A-ring as the case of compounds Ⅰ and Ⅱ. Based on UV-Visible absorption data of neutral and basic solutions, and on the density function calculations, the 7-phenolic hydroxyl group in A-ring was found to be more acidic than the 4'-phenolic hydroxyl group in B-ring. The mechanism of derivation reaction and the structure-reactivity relationship of puerarin as an antioxidant were further discussed.

其中7-丙基葛根素Ⅱ属于新型取代衍生物;变温1H NMR和理论计算结果表明,在300 K时,葛根素和4'-丙基葛根素以单一构型存在;而7,4'-二丙基葛根素和7-丙基葛根素则存在两种核磁可分辨的旋转异构体,当温度升至330 K时,两种异构体可以相互转化;通过对比分析葛根素及其衍生物脱质子产物的紫外可见吸收光谱并结合理论计算,确定了A环上7位酚羟基比B环上4'位酚羟基先脱去质子,并由此进一步阐明了葛根素衍生化反应机理以及在抗氧化作用中可能的活性位点和结构活性关系。

In this situation, it is extremely urgent to explore new land-use system conforming to the reality in China.

在这种背景下,探索新型的、适合我国国情的土地使用制度已经刻不容缓。

In this situation, it is extremely urgent to explore new urban land-use system conforming to the reality in China.

在这种背景下,探索新型的、适合我国国情的城市土地使用制度刻不容缓。

It is extremely difficult to solve the problem of tunnel leak, because there are many muddiness, greasy dirts and slushes on the top of the tunnel, thereby it is hard to conglutinate the waterproof materials. Test results show that the impervious pressure and the splice strength of the acrylic acid waterproof material will be up to 1.2 MPa and 1.8 MPa in 30 min with new formula and unique construction craft 50 that reduce the difficulty of conglutination.

实验结果表明:使用新型丙烯酸防水材料配方和施工工艺,使丙烯酸防水材料的抗渗压和粘结强度在30 min里能够迅速分别达到1.2 MPa和1.8 MPa,从而降低粘结难度,很好地解决了既有隧道的顶部因有很多的淤泥、油污、水垢等杂物而使普通防水材料难以粘结的问题。

Even after the Democratic party's takeover in 2007, Congresspeople have insisted on funding programs their constituents wanted but the Pentagon said it didn't need, such as the F-22, DDG-1000 destroyer, and the alternate engine for the Joint Strike Fighter.

即使是在2007年民主党执政之后,国会议员都坚持给那些选民中意而国防部却认为已经没必要的项目拨款,例如F-22主力制空战斗机, DDG一1000驱逐舰以及联合打击战斗机的新型引擎。

In the early 19th century, Sir William Congreve invented a new type of rolling ball clock, apparently without knowledge of previous activities in the field of rolling ball clocks.

在十九世纪初,威廉爵士康格里夫发明了一种新型的滚球时钟,但显然没有先前的知识领域的活动滚球时钟。

The results indicate the formation of the congruently soluble compound of ZnCl2 in Leu system and the incongruently soluble compounds of ZnCl2· 1/2H_2O、 ZnCl2· H_2O、 Zn2Cl2、 ZnCl2· H_2O and Zn2Cl2 in Try/Val/Thr systems, which have not been reported in literature.

用相平衡方法研究锌盐与氨基酸的配合行为,可探求它们在全浓度范围内形成化合物的可能性,提供相区大小和性质等信息,对可溶于水的新型锌添加剂的合成很有意义。

This is new high-tech green environment-friendly regenerated fiber.Its main body belongs to the natural beech plant fiber and has been recognized congruously as the most potential fiber in 21 century.

这是一种新型高科技绿色环保再生纤维,其主体属榉木天然植物纤维 natural plant fiber ,已被纺织业一致公认为是21世纪最具有潜质的纤维。

This is a new-type high-tech environmental protected green regenerated fibre, with the mainbody belonging to Zelkova natural plant fiber, which has been congruously recognized as the fiber with highest potential in the 21st century among the textile industry.

这是一种新型高科技绿色环保再生纤维,其主体属榉木天然植物纤维,已被纺织业一致公认为是21世纪最具有潜质的纤维。

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推荐网络例句

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应,而且减少跟风的可能性。

The new PS20 solar power tower collected sunlight through mirrors known as "heliostats" to produce steam that is converted into electricity by a turbine in Sanlucar la Mayor, Spain, Wednesday.

聚光:照片上是建在西班牙桑路卡拉马尤城的一座新型PS20塔式太阳能电站。被称为&日光反射装置&的镜子将太阳光反射到主塔,然后用聚集的热量产生蒸汽进而通过涡轮机转化为电力