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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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Solubility is the measure of the maximum amount of solute that can be dissolved in a given quantity of solvent at a given temperature and pressure. Solubility is usually measured in molarity (M) or moles per liter (mol/L). A compound is termed soluble if it dissolves in water.
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A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
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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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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.
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A theoretical study on lidocaine solubility in deep eutectic solvents.

Alberto Gutiérrez1, Mert Atilhan, Santiago Aparicio

  • 1Department of Chemistry, University of Burgos, 09001 Burgos, Spain. sapar@ubu.es.

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Deep eutectic solvents effectively solvate lidocaine due to strong interactions. These solvents show promise for pharmaceutical applications, with minimal changes to solvent structure upon lidocaine dissolution.

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Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Deep eutectic solvents (DES) are emerging as novel media for various chemical applications.
  • Understanding solute-solvation interactions is crucial for optimizing DES properties.
  • Lidocaine is a widely used local anesthetic with potential for formulation in alternative solvents.

Purpose of the Study:

  • To investigate the solvation behavior of lidocaine in two distinct deep eutectic solvents.
  • To elucidate the nature of intermolecular interactions governing lidocaine solvation.
  • To assess the suitability of these DES for pharmaceutical applications.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed to model molecular interactions.
  • Molecular Dynamics (MD) simulations provided insights into dynamic solvation structures.
  • Analysis of van der Waals forces and hydrogen bonding interactions was performed.

Main Results:

  • Strong solute-solvent intermolecular interactions, including van der Waals and hydrogen bonds, were identified.
  • Lidocaine solvation shells exhibited specific structures and compositions.
  • Minor changes in solvent structure and slight volume expansion were observed upon lidocaine dissolution.
  • Evidence of lidocaine clustering was investigated.

Conclusions:

  • Deep eutectic solvents provide effective solvation for lidocaine.
  • The observed interactions and minimal solvent structural changes support DES as viable pharmaceutical media.
  • These findings encourage further development of DES for drug delivery systems.