皮拉折叠和自组装的伊米德衍生品中的银素结合
Zhuoer Wang1, Zhaozhen Cao1, Aiyou Hao1
1Key Laboratory of Colloid and Interface Chemistry of Ministry of Education and School of Chemistry and Chemical Engineering, Shandong University Jinan 250100 People's Republic of China xingpengyao@sdu.edu.cn.
Chemical science
|May 10, 2024
概括
研究人员在胺基组中发现了涉及的 pnictogen 结合 (PnB),这对于控制分子中性折叠和自我组装至关重要. 这种相互作用会影响分子构造和手术特征.
科学领域:
- 超分子化学 超分子化学
- 有机化学 有机化学
- 晶体学 晶体学是指结晶学.
背景情况:
- 基因结合 (PnB) 是一种涉及基因元素的分子间相互作用.
- 很少有人观察到涉及原子的PnB.
- 在分子折叠和自我组装中PNB的作用在很大程度上是未被探索的.
研究的目的:
- 为了研究一般存在和涉PNB (N-PNB) 在imide组中的影响.
- 探索N-PnB在性自我组装和分子折叠中的作用.
- 为了证明N-PnB在控制手术特征和二次结构中的应用.
主要方法:
- 在剑桥结构数据库 (CSD) 中系统搜索N-PnB相互作用.
- 包括DFT计算在内的计算研究,用于分析电子属性和相互作用能量.
- 含有伊米德的分子,包括氨基酸和衍生物的合成和表征.
主要成果:
- 证实了N-PnB在芳香和亚利法胺基组中的普遍存在.
- 证明N-PnB显著影响分子构造,导致"构造锁定".
- 展示了N-PnB在指导奇拉折叠,超分子奇拉性和二次结构的形成中的作用,例如在伊米德衍生物中的β-片和α-螺旋.
结论:
- 与伊米德相关的PNB是一种普遍且显著的非共价相互作用.
- N-PnB在控制分子构造,性折叠和自我组装方面发挥着至关重要的作用.
- 这一发现使得能够合理设计具有可调整的手术活动的结构锁定化合物和聚合物.
相关概念视频
01:23Aldehydes and Ketones with Amines: Imine Formation Mechanism
5.5K
Imine formation involves the addition of carbonyl compounds to a primary amine. It begins with the generation of carbinolamine through a series of steps involving an initial nucleophilic attack and then several proton transfer reactions. The second part includes the elimination of water, as a leaving group, to give the imine.
Imines are formed under mildly acidic conditions. A pH of 4.5 is ideal for the reaction.
If the pH is low or the solution is too acidic, the reaction slows down in the...
Imines are formed under mildly acidic conditions. A pH of 4.5 is ideal for the reaction.
If the pH is low or the solution is too acidic, the reaction slows down in the...
5.5K
01:19Structure of Amines
2.5K
The hybridized nitrogen atom in amines possesses a lone pair of electrons and is bound to three substituents with a bond angle of around 108°, which is less than the tetrahedral angle of 109.5°. However, the C–N–H bond angle is slightly larger at 112°, with a carbon–nitrogen bond length of 147 pm. This carbon–nitrogen bond length of of amines is longer than the carbon–oxygen bond of alcohols (143 pm) but shorter than alkanes’...
2.5K
01:16Aldehydes and Ketones with Amines: Imine and Enamine Formation Overview
4.6K
Primary amines react with carbonyl compounds—aldehydes and ketones—to generate imines. Imines consist of a C=N double bond and are named Schiff bases after its discoverer—the German chemist Hugo Schiff. On the other hand, secondary amines react with carbonyl compounds to give enamines. In enamines, the presence of a C=C double bond adjacent to the nitrogen atom leads to the delocalization of the lone pair.
4.6K
02:30Chirality at Nitrogen, Phosphorus, and Sulfur
5.7K
Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
5.7K
02:34Structural Isomerism
19.2K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
19.2K
02:05Prochirality
3.8K
The concept of prochirality leads to the nomenclature of the individual faces of a molecule and plays a crucial role in the enantioselective reaction. It is a concept where two or more achiral molecules react to produce chiral products. A typical process is the reaction of an achiral ketone to generate a chiral alcohol. Here, the achiral reactant reacts with an achiral reducing agent, sodium borohydride, to generate an equimolar mixture of the chiral enantiomers of the product. For example, an...
3.8K