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相关概念视频

Intermolecular Forces and Physical Properties02:56

Intermolecular Forces and Physical Properties

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Physical Properties Affecting Solubility02:19

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Solutions of Gases in Liquids
As for any solution, the solubility of a gas in a liquid is affected by the attractive intermolecular forces between solute and solvent species. Unlike solid and liquid solutes, however, there is no solute-solute intermolecular attraction to overcome when a gaseous solute dissolves in a liquid solvent since the atoms or molecules comprising a gas are far separated and experience negligible interactions. Consequently, solute-solvent interactions are the sole...
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Entropy and Solvation02:05

Entropy and Solvation

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The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
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Factors Affecting Dissolution: Drug pKa, Lipophilicity and GI pH01:21

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Drug absorption within the gastrointestinal (GI) tract is a complex process influenced by several critical factors, including the site pH, the drug's dissociation constant (pKa), and the drug's lipophilicity. The GI tract exhibits a pH gradient, with an acidic environment in the stomach and a more alkaline environment in the small intestine. This pH variation directly affects the ionization state of drugs.
A drug's pKa and the pH of the gastrointestinal (GI) tract play crucial roles...
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Solubility Equilibria03:07

Solubility Equilibria

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Solubility equilibria are established when the dissolution and precipitation of a solute species occur at equal rates. These equilibria underlie many natural and technological processes, ranging from tooth decay to water purification. An understanding of the factors affecting compound solubility is, therefore, essential to the effective management of these processes. This section applies previously introduced equilibrium concepts and tools to systems involving dissolution and precipitation.
The...
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Factors Affecting Solubility04:01

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Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Chȃtelier’s principle. Consider the dissolution of silver iodide:
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相关实验视频

Updated: Sep 13, 2025

A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy
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基于物理的有机分子溶解率预测.

Daniel J Fowles1, Benedict J Connaughton2, James W Carter1

  • 1Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow, Scotland G1 1XL, U.K.

Chemical reviews
|July 29, 2025
PubMed
概括
此摘要是机器生成的。

通过计算预测水溶性对于药物开发和材料科学至关重要. 基于物理学的方法提供了准确的可溶性预测,克服了实验测量的局限性.

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Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
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Production and Measurement of Organic Particulate Matter in a Flow Tube Reactor
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科学领域:

  • 计算化学是一种计算化学.
  • 物理化学 物理化学
  • 材料科学是一种材料科学.

背景情况:

  • 准确的水溶性预测对于药物发现,能源材料和环境评估至关重要.
  • 实验性溶解度测量是耗时的,昂贵的,并且仅限于合成化合物.
  • 开发计算方法对于克服实验限制至关重要.

研究的目的:

  • 为预测水溶性的基于物理的计算方法提供全面的理解.
  • 讨论这些预测技术的理论背景和实际应用.
  • 为了比较各种基于物理的方法的优缺点.

主要方法:

  • 复习基于物理的先进计算技术,用于可溶性预测.
  • 讨论用于结构优化的热力学数据生成.
  • 不同计算方法的比较分析.

主要成果:

  • 基于物理学的方法证明了精确的水溶性预测.
  • 这些方法为分子设计提供了宝贵的热力学数据.
  • 与实验和数据驱动的可溶性评估方法进行上下文化.

结论:

  • 基于物理学的计算方法是预测水溶性的强大工具.
  • 这些方法有助于克服药物开发和材料设计方面的挑战.
  • 目前正在进行的研究继续改进和扩大预测溶解度建模的能力.