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Aldehydes and Ketones with Water: Hydrate Formation01:20

Aldehydes and Ketones with Water: Hydrate Formation

3.1K
An oxygen-based nucleophile, like water, can undergo addition reactions with aldehydes and ketones. The reaction leads to the formation of hydrates, also referred to as 1,1-diols or geminal diols.
The formation of hydrates is a reversible reaction. Hydrate formation is influenced by steric and electronic factors accompanying the alkyl substituents on the carbonyl group: The rate of hydrate formation increases with a decrease in the number of alkyl groups attached to the carbonyl carbon. Hence,...
3.1K
Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration02:34

Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration

8.3K
The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
8.3K
Acid-Catalyzed Hydration of Alkenes02:45

Acid-Catalyzed Hydration of Alkenes

13.7K
Alkenes react with water in the presence of an acid to form an alcohol. In the absence of acid, hydration of alkenes does not occur at a significant rate, and the acid is not consumed in the reaction. Therefore, alkene hydration is an acid-catalyzed reaction.
13.7K
Hydration of Cement01:24

Hydration of Cement

197
Hydration of cement is a chemical reaction between cement particles and water. This process occurs primarily through two mechanisms: through-solution and topochemical. In the through-solution process, anhydrous compounds dissolve into their constituents, hydrates form in the solution, and then precipitate from the supersaturated solution. The topochemical process involves solid-state reactions at the cement particle surface. The through-solution process dominates the topochemical process at the...
197
Alkynes to Aldehydes and Ketones: Acid-Catalyzed Hydration02:40

Alkynes to Aldehydes and Ketones: Acid-Catalyzed Hydration

8.2K
Introduction
Analogous to alkenes, alkynes also undergo acid-catalyzed hydration. While the addition of water to an alkene gives an alcohol, hydration of alkynes produces different products such as aldehydes and ketones.       
8.2K
Aromatic Hydrocarbon Cations: Structural Overview01:18

Aromatic Hydrocarbon Cations: Structural Overview

2.7K
Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group...
2.7K

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Updated: Jun 4, 2025

Methane Hydrate Crystallization on Sessile Water Droplets
08:46

Methane Hydrate Crystallization on Sessile Water Droplets

Published on: May 26, 2021

2.3K

在剑桥结构数据库 (CSD) 上使用数据挖掘探索水合物景观.

Minqi Fu1, Jiayu Dai2, Jingtao Xu3

  • 1Department of Pharmacy, Faculty of Health and Medical Sciences, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen, Denmark.

International journal of pharmaceutics
|December 19, 2024
PubMed
概括
此摘要是机器生成的。

了解药物水合物在制药科学中至关重要. 这项研究分析了剑桥结构数据库,发现只有6%的无水化合物具有相应的水合物形式,突出了复杂系统的文档上的差距.

关键词:
晶体学 晶体学是指结晶学.数据科学是数据科学.数据库数据库数据库是一个数据库.药物无水化合物 药物无水化合物药物水合物 药物水合物

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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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科学领域:

  • 制药科学 制药科学
  • 晶体学 晶体学是指结晶学.
  • 数据科学数据科学数据科学

背景情况:

  • 药物水合物在药物开发中至关重要,需要一个系统的理解超越单个案例研究.
  • 剑桥结构数据库 (CSD) 为探索药物相关化合物的晶体结构提供了丰富的资源.
  • 对于药物开发和配方来说,对水合物和无水合物形式的全面分析是必不可少的.

研究的目的:

  • 使用CSD系统地探索制药相关化合物形成水合物的结构特征.
  • 在各种系统类型 (免费药物,共晶,盐等) 中对无水和水合物药物子集进行分类和分析. ) 的情况.
  • 了解水分子在药物水合物中的结模式中的作用.

主要方法:

  • 从中央证券交易所生成药物无水和水合物子集并对其进行分类.
  • 对生成的数据进行分子和结构层面的分析.
  • 研究结模式,包括水分子的作用和偏好.

主要成果:

  • 药物CSD子组包括24%的水合物和76%的无水合物.
  • 在CSD药物子组中,只有6%的无水化合物具有相应的水合物形式.
  • 在44%的药物水合物中,水作为H键捐赠者,经常形成强键.

结论:

  • 对CSD等制药数据库的数据科学分析可以揭示药物水合物形成的重要模式.
  • 在多元组件系统中,水合物的形成和多态性仍未得到充分探索.
  • 水在药物水合物的结构特征和键中起着重要作用.