Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Chemical Equilibria: Systematic Approach to Equilibrium Calculations

Chemical Equilibria: Systematic Approach to Equilibrium Calculations

Equilibrium calculations for systems involving multiple equilibria are often complex. For example, to calculate the solubility of a sparingly soluble salt in an aqueous solution in the presence of a common ion, one must consider all the equilibria in this solution. Calculations for these systems can be complicated and tedious, so a systematic approach with a series of steps is often helpful. The process is detailed below.
The first step is to identify all the chemical reactions involved, The...

Chemical and Solubility Equilibria

Chemical and Solubility Equilibria

The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place,...

Calculating Equilibrium Concentrations

Calculating Equilibrium Concentrations

Being able to calculate equilibrium concentrations is essential to many areas of science and technology—for example, in the formulation and dosing of pharmaceutical products. After a drug is ingested or injected, it is typically involved in several chemical equilibria that affect its ultimate concentration in the body system of interest. Knowledge of the quantitative aspects of these equilibria is required to compute a dosage amount that will solicit the desired therapeutic effect.
A more...

The Equilibrium Binding Constant and Binding Strength

The Equilibrium Binding Constant and Binding Strength

The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:

The Equilibrium Binding Constant and Binding Strength

The Equilibrium Binding Constant and Binding Strength

Molecular Models

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Unveiling Repulsion in Intramolecular H-Bonded Systems.

Journal of the American Chemical Society·2025

Same author

Solvent Attenuation of London Dispersion in Polycyclic Aromatic Stacking.

Angewandte Chemie (International ed. in English)·2024

Same author

An active machine learning discovery platform for membrane-disrupting and pore-forming peptides.

Physical chemistry chemical physics : PCCP·2024

Same author

Context-Dependent Significance of London Dispersion.

Accounts of chemical research·2023

Same author

Experimental Quantification of Halogen⋅⋅⋅Arene van der Waals Contacts.

Angewandte Chemie (International ed. in English)·2023

Same author

Dissecting Solvent Effects on Hydrogen Bonding.

Angewandte Chemie (International ed. in English)·2022

Same journal

High-Performance CH-Series Non-Fullerene Acceptors for Organic Photovoltaics.

Accounts of chemical research·2026

Same journal

Design Principles for Negative Thermal Expansion in Two-Dimensional Materials.

Accounts of chemical research·2026

Same journal

Main Group Redox Catalysis: New Frontiers with Germanium and Tin.

Accounts of chemical research·2026

Same journal

Taming Irreversibility in sp<sup>2</sup>-Carbon-Conjugated COFs from Polycrystalline Powders to Single Crystals and Thin Films.

Accounts of chemical research·2026

Same journal

Electroactive Imidazolium Ionic Liquids in Organic Synthesis.

Accounts of chemical research·2026

Same journal

Calix[4]resorcinarene-Based Porous Organic Cages: Synthesis and Applications.

Accounts of chemical research·2026

See all related articles

Search research articles

Related Experiment Video

Updated: Nov 26, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Quantifying Interactions and Solvent Effects Using Molecular Balances and Model Complexes.

Alex Elmi¹, Scott L Cockroft¹

¹EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh EH9 3FJ, United Kingdom.

Accounts of Chemical Research

|December 14, 2020

Summary

This summary is machine-generated.

Supramolecular chemistry studies interactions between molecules. This research uses molecular balances to experimentally evaluate solvent effects on molecular recognition, improving computational models and understanding self-assembly. This work enhances rational design of molecular systems.

More Related Videos

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

Related Experiment Videos

Last Updated: Nov 26, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

Area of Science:

Supramolecular Chemistry
Computational Chemistry
Physical Chemistry

Background:

Supramolecular chemistry focuses on interactions between molecules, distinct from intramolecular bonds.
Understanding molecular self-assembly and the role of solvation is crucial but computationally challenging.
Existing solvation models have limitations in accuracy and computational cost for experimentalists.

Purpose of the Study:

To develop supramolecular systems for evaluating the role of solvents in molecular recognition.
To characterize the mechanisms underlying molecular association in solution.
To improve the accuracy of computational solvent models through experimental validation.

Main Methods:

Utilized molecular balances and synthetic supramolecular complexes as model systems.
Employed a tandem experimental and computational approach.
Applied advanced computational techniques including symmetry-adapted perturbation theory (SAPT) and natural bonding orbital (NBO) analysis.

Main Results:

Demonstrated the utility of molecular balances for measuring solvent effects and assessing solvent models.
Revealed how solvation modulates molecular electronic landscapes and provides thermodynamic driving forces for association.
Elucidated the influence of specific interactions like London dispersion and electron delocalization using combined methods.

Conclusions:

Supramolecular model systems offer a powerful platform for dissecting solvent effects in molecular recognition.
The developed approach enhances understanding of physicochemical origins of molecular association.
This research facilitates the rational design of systems that exploit solvent-mediated molecular interactions.