Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Intermolecular Forces03:13

Intermolecular Forces

77.0K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
77.0K
Aqueous Solutions and Heats of Hydration02:42

Aqueous Solutions and Heats of Hydration

18.9K
Water and other polar molecules are attracted to ions. The electrostatic attraction between an ion and a molecule with a dipole is called an ion-dipole attraction. These attractions play an important role in the dissolution of ionic compounds in water.
When ionic compounds dissolve in water, the ions in the solid separate and disperse uniformly throughout the solution because water molecules surround and solvate the ions, reducing the strong electrostatic forces between them. This process...
18.9K
Pore Transport and Ion-Pair Transport01:17

Pore Transport and Ion-Pair Transport

1.5K
Pore transport and ion-pair formation are critical mechanisms for the absorption and distribution of drugs in the body.
Pore transport, also known as convective transport, is a process where small molecules like urea, water, and sugars rapidly cross cell membranes as though there were channels or pores in the membrane. Although direct microscopic evidence is limited  but the concept of pores or channels is widely accepted based on physiological evidence. Despite the lack of direct...
1.5K
Electrolytes: van't Hoff Factor03:08

Electrolytes: van't Hoff Factor

37.7K
Colligative Properties of Electrolytes
The colligative properties of a solution depend only on the number, not on the identity, of solute species dissolved. The concentration terms in the equations for various colligative properties (freezing point depression, boiling point elevation, osmotic pressure) pertain to all solute species present in the solution. Nonelectrolytes dissolve physically without dissociation or any other accompanying process. Each molecule that dissolves yields one...
37.7K
Theory of Strong Electrolytes01:23

Theory of Strong Electrolytes

90
The interionic forces of the strong electrolytes depend on the solvent's dielectric constant, which is the ability of a solvent to store electrical energy, based on its polarizability. and the solution's concentration. In high-dielectric solvents and in dilute solutions, weak electrostatic forces keep ions apart. However, in low-dielectric solvents or concentrated solutions, stronger interionic forces may cause ions to pair up as ionic doublets despite being fully ionized. The theory of strong...
90
Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

1.6K
In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
1.6K

You might also read

Related Articles

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

Sort by
Same author

Integrated Computational and Spectroscopic Investigation of Mn<sup>5+</sup>-Doped LaSr<sub>2</sub>AlO<sub>5</sub> with Intense Green Color and NIR-II Emission.

Inorganic chemistry·2026
Same author

Porcine Beta Defensin 2 Alleviates Apoptosis and Restores Proliferation in IPEC-J2 Cells Challenged with ETEC K88 by Inhibiting the Akt Signaling Pathway.

Probiotics and antimicrobial proteins·2026
Same author

Reactive oxygen species-functionalized hydrogels loaded with ginger-derived nanoparticles promote diabetic wound healing by modulating macrophage polarization.

Biomedical materials (Bristol, England)·2026
Same author

Process Optimization and Microstructure in High-Speed Coaxial Dual-Laser Welding of SUS301 Thin Sheets Using an SSA-BP Model.

Materials (Basel, Switzerland)·2026
Same author

Rumen-Derived Consortia Shaped by Substrate-Specific Enrichment Show Specialized Lignocellulose Utilization, Diversified Hydrogen Metabolism, and Cryopreservation Stability.

Microorganisms·2026
Same author

A Population-Based Nomogram for Predicting Overall Survival in Pulmonary Sarcomatoid Carcinoma With Real-World External Validation.

Cancer medicine·2026

Related Experiment Video

Updated: Mar 29, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

6.1K

Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions.

Jia-Wei Shen1, Chunli Li2, Nico F A van der Vegt2

  • 1Max Planck Institute for Polymer Research , Ackermannweg 10, D-55128 Mainz, Germany.

Journal of Chemical Theory and Computation
|November 25, 2015
PubMed
Summary

This study enhances coarse-grained (CG) ion models for aqueous solutions. By improving transferability with a concentration-dependent dielectric constant, these implicit-solvent models achieve accurate structural and thermodynamic properties across various salt concentrations.

More Related Videos

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

772
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

9.1K

Related Experiment Videos

Last Updated: Mar 29, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

6.1K
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

772
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

9.1K

Area of Science:

  • Computational Chemistry and Molecular Modeling
  • Physical Chemistry of Solutions
  • Multiscale Simulation Methods

Background:

  • Simplified models like coarse-grained (CG) and implicit-solvent models are crucial for multiscale simulations but face challenges in predicting properties at different conditions.
  • Assessing the transferability of these models is vital for their application to complex systems with varying compositions.

Purpose of the Study:

  • To investigate the transferability of CG implicit-solvent ion models with effective pair potentials derived at low concentrations to higher ion concentrations in aqueous solutions.
  • To evaluate both thermodynamic and structural properties of NaCl solutions using atomistic explicit-solvent and CG simulations.
  • To improve the transferability of implicit-solvent models for high ion concentrations guided by structural analysis.

Main Methods:

  • Performed explicit-solvent atomistic simulations to calculate osmotic coefficients for NaCl solutions across a wide range of concentrations, validating against experimental data.
  • Employed CG implicit-solvent simulations with effective pair potentials, incorporating a concentration-dependent dielectric permittivity to account for solvent effects.
  • Analyzed structural properties, including multibody ion-ion correlations, to identify limitations in model transferability at high salt concentrations.

Main Results:

  • Explicit solvent simulations showed excellent agreement with experimental osmotic coefficients.
  • The use of a concentration-dependent dielectric constant improved the transferability of implicit-solvent models, yielding good osmotic and structural properties at low to intermediate salt concentrations.
  • At high salt concentrations, multibody ion-ion correlations limited straightforward transferability, but analysis guided improvements.

Conclusions:

  • Transferable implicit-solvent effective pair potentials were developed that are structurally and thermodynamically consistent with explicit solvent reference models.
  • The study demonstrates a method to enhance the accuracy and applicability of CG implicit-solvent models for ionic solutions across a broad range of concentrations.