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Solubility Equilibria: Overview

Solubility Equilibria: Overview

When a substance such as sodium chloride is added to water, it dissolves, forming an aqueous solution. The extent of dissolution is called solubility. The process of dissolution can exist in equilibrium, just like other chemical processes. Solubility equilibria are also called precipitation equilibria because the process of solubility can be reversible. The reverse of the solubility process is called precipitation.
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Solubility Equilibria

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Titration ELISA as a Method to Determine the Dissociation Constant of Receptor Ligand Interaction

Titration ELISA as a Method to Determine the Dissociation Constant of Receptor Ligand Interaction

Published on: February 15, 2018

Calculation of Crystal-Solution Dissociation Constants.

Sergiy O Garbuzynskiy¹, Alexei V Finkelstein^1,2,3

¹Institute of Protein Research, Russian Academy of Sciences, 142290 Pushchino, Russia.

|February 25, 2022

Summary

This study introduces a fast method to calculate molecular binding entropy and dissociation constants by analyzing molecular movement ranges in crystals. The approach accurately predicts constants for both sublimation and dissolution processes.

Keywords:

Henry’s law constant amplitude of movements in crystals binding entropy computational chemistry and biochemistry dissociation constant molecular crystals

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Area of Science:

Molecular Biophysics
Computational Chemistry
Thermodynamics

Background:

Calculating binding free energy, including enthalpy and entropy, is crucial in molecular biophysics.
Molecular dynamics simulations are computationally expensive and slow for entropy calculations.

Purpose of the Study:

To develop a computationally efficient method for calculating binding entropy and dissociation constants.
To extend a previously developed method to include molecular dissolution processes.

Main Methods:

Evaluating the range of molecular movements in the bound state (molecular crystals).
Utilizing molecular movement ranges to compute binding entropies.
Integrating experimental sublimation enthalpies to determine crystal-to-vapor dissociation constants.

Main Results:

The developed method provides a fast alternative to computationally expensive molecular dynamics simulations.
The approach shows good correlation with experimentally measured dissociation constants for molecular dissolution from crystals.
The method was extended from previously studied sublimation processes to include dissolution.

Conclusions:

The novel method offers a significantly faster way to calculate binding entropy and dissociation constants.
The approach is applicable to both sublimation and dissolution processes, demonstrating its versatility.
This work advances the accurate and efficient prediction of molecular binding thermodynamics.