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相关概念视频

Crystal Growth: Principles of Crystallization01:25

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Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
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Recrystallization: Solid–Solution Equilibria01:10

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Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
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Imagine adding a small amount of sugar to a glass of water, stirring until all the sugar has dissolved, and then adding a bit more. You can repeat this process until the sugar concentration of the solution reaches its natural limit, a limit determined primarily by the relative strengths of the solute-solute, solute-solvent, and solvent-solvent attractive forces. You can be certain that you have reached this limit because, no matter how long you stir the solution, undissolved sugar remains. The...
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在晶体生长过程中,形成性自我毒害.

Yumin Liu1,2, Veselina Marinova3, Roger J Davey1

  • 1Department of Chemical Engineering, University of Manchester, Manchester M13 9PL, United Kingdom.

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PubMed
概括

分子灵活性显著影响药物结晶. 较长链的二酸盐表现出较慢的晶体生长,原因是"形状自我中毒",其中小分子形状抑制结晶,但特定的溶剂可以减轻这种效应.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 化学工程是化学工程的重要组成部分.
  • 晶体学 晶体学是指结晶学.

背景情况:

  • 由于新的化合物结构,药物结晶变得越来越复杂.
  • 了解分子灵活性在结晶中的作用对于控制晶体核和生长至关重要.
  • 由于晶体结构的一致性和随着链条长度的增加而增加的灵活性,二酸盐提供了一个模型系统.

研究的目的:

  • 为了研究分子灵活性对晶体生长动学的影响,在一系列的二氧化物中.
  • 阐明晶体生长速率观察到的变化背后的分子水平机制.
  • 确定克服分子灵活性所带来的结晶挑战的策略.

主要方法:

  • 对二酸的晶体生长动力学的实验测量 (C4-C10).
  • 计算良好度的元动力学模拟,以探索溶液中的 conformational 景观.
  • 分析分子灵活性和晶体生长之间的结构属性关系.

主要成果:

  • 晶体生长速度在链长达七个碳素时线性增加,然后急剧下降.
  • 较长的链条观察到分子灵活性增加和形状景观的复杂性增加.
  • 溶液中的小符合者被确定为强大的晶体生长抑制剂 (符合性自我中毒).

结论:

  • 这项研究表明",形态自我中毒"是一种抑制晶体生长的新机制.
  • 分子灵活性,而不仅仅是晶体结构,决定了灵活分子的生长抑制.
  • 溶剂选择可以减轻构造性自我中毒,提供一种控制柔性化合物的结晶的策略.