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

Solvents01:12

Solvents

70.5K
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.
A...
70.5K
Electrostatic Boundary Conditions01:16

Electrostatic Boundary Conditions

953
Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
The surface integral of an electric field is given by Gauss's law in integral form and is related to...
953
Pharmacokinetic Models: Comparison and Selection Criterion01:26

Pharmacokinetic Models: Comparison and Selection Criterion

354
Physiological and compartmental models are valuable tools used in studying biological systems. These models rely on differential equations to maintain mass balance within the system, ensuring an accurate representation of the dynamic processes at play.
Physiological models take a detailed approach by considering specific molecular processes. They can predict drug distribution, metabolism, and elimination changes, providing a comprehensive understanding of how drugs interact with the body.
354
The Sense of Self: Reflected Self-Appraisal and Social Comparison02:57

The Sense of Self: Reflected Self-Appraisal and Social Comparison

55.9K
According to Charles Cooley, we base our image on what we think other people see (Cooley 1902). We imagine how we must appear to others, then react to this speculation. We don certain clothes, prepare our hair in a particular manner, wear makeup, use cologne, and the like—all with the notion that our presentation of ourselves is going to affect how others perceive us. We expect a certain reaction, and, if lucky, we get the one we desire and feel good about it. But more than that, Cooley...
55.9K
Titration in Nonaqueous Solvents01:16

Titration in Nonaqueous Solvents

1.4K
Most acid-base titrations are performed in an aqueous medium. In aqueous titrations, water competes with weaker acids or bases for proton donation or acceptance, leading to ambiguous endpoints in the titration curve. Water also affects the partial ionization of weak acids or bases. For example, water accepts a proton from acetic acid to form hydronium and acetate ions. The hydronium ion formed is a stronger acid than acetic acid, and the acetate ion is a stronger base than water. As a result,...
1.4K
Electrostatic Boundary Conditions in Dielectrics01:27

Electrostatic Boundary Conditions in Dielectrics

1.9K
When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity....
1.9K

You might also read

Related Articles

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

Sort by
Same author

Constrained Møller-Plesset perturbation theory for charge transfer states.

The Journal of chemical physics·2026
Same author

Extending Multi-Input Linear Correction to Energy Representation Theory: Accurate Solvation Free Energy Prediction Independent of Volume Information.

The journal of physical chemistry. B·2026
Same author

The Design of Metal Ion-Induced Dimers Suggestive of 3D Domain Swapping.

Chembiochem : a European journal of chemical biology·2026
Same author

Moiety-specific mechanism of ATP's hydrotropic action on α-synuclein.

Physical chemistry chemical physics : PCCP·2026
Same author

Computational Analysis of Structural and Photophysical Properties of a 1,8-Naphthalimide Derivative in Aqueous Solution.

The journal of physical chemistry. A·2026
Same author

High-Precision Solvation Free Energy Calculation via Multi-Input Linear Correction in 3D-RISM Theory.

Journal of chemical theory and computation·2026
Same journal

NMR Spectroscopy: Molecular Insights into Cell Wall Collapse and Oxidative Stress of <i>Escherichia coli</i> Induced by Imidazole-Activated Eutectic Solvents.

ACS omega·2026
Same journal

Enhanced Arsenite Remediation in Synthetic FeS<sub>2</sub>/Fe(II)-Containing Arsenic Wastewater via Epigallocatechin Gallate-Initiated Persulfate Activation.

ACS omega·2026
Same journal

Defect and Particle-Size Engineering as Mechanistic Drivers for Dye Uptake in a Zirconium Metal-Organic Framework.

ACS omega·2026
Same journal

Biogeochemical Assessment of Short-Term Hydrogen Storage in Methane Reservoirs with Field Sample Characterization and Reactor Experiments.

ACS omega·2026
Same journal

Combined Effects of Halloysite Nanotubes, Nucleating Agent, and Thermal Annealing on the Printability and Mechanical Performances of 3D-Printable Polypropylene Random Copolymer-Based Composites.

ACS omega·2026
Same journal

Effect of MoS<sub>2</sub> Interfacial Engineering across MAPbI<sub>3</sub>, FAPbI<sub>3</sub>, and CsPbI<sub>3</sub> Perovskite Solar Cells.

ACS omega·2026
See all related articles

Related Experiment Video

Updated: Jan 28, 2026

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators
11:44

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators

Published on: August 15, 2014

10.7K

Comparison Among Solvent Electrostatic Potentials and a Proposal for Improving the Polarizable Continuum Model.

Yuki Kanamaru1, Norio Yoshida2, Toru Matsui3,1

  • 1Department of Chemistry, Graduate School of Science and Technology, University of Tsukuba, Tsukuba 305-8577, Japan.

ACS Omega
|January 26, 2026
PubMed
Summary
This summary is machine-generated.

The polarizable continuum model (PCM) has errors with charged solutes due to incorrect reaction field distribution. This study identifies four key PCM features needing modification for accurate electrostatic interactions.

More Related Videos

Electrostatic Method to Remove Particulate Organic Matter from Soil
04:40

Electrostatic Method to Remove Particulate Organic Matter from Soil

Published on: February 10, 2021

5.2K
Improved Preparation and Preservation of Hippocampal Mouse Slices for a Very Stable and Reproducible Recording of Long-term Potentiation
09:39

Improved Preparation and Preservation of Hippocampal Mouse Slices for a Very Stable and Reproducible Recording of Long-term Potentiation

Published on: June 26, 2013

27.7K

Related Experiment Videos

Last Updated: Jan 28, 2026

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators
11:44

Real-Time DC-dynamic Biasing Method for Switching Time Improvement in Severely Underdamped Fringing-field Electrostatic MEMS Actuators

Published on: August 15, 2014

10.7K
Electrostatic Method to Remove Particulate Organic Matter from Soil
04:40

Electrostatic Method to Remove Particulate Organic Matter from Soil

Published on: February 10, 2021

5.2K
Improved Preparation and Preservation of Hippocampal Mouse Slices for a Very Stable and Reproducible Recording of Long-term Potentiation
09:39

Improved Preparation and Preservation of Hippocampal Mouse Slices for a Very Stable and Reproducible Recording of Long-term Potentiation

Published on: June 26, 2013

27.7K

Area of Science:

  • Computational chemistry
  • Theoretical chemistry
  • Physical chemistry

Background:

  • The polarizable continuum model (PCM) is a common computational method for simulating solvation.
  • PCM models are computationally efficient but can produce significant energy errors for charged solutes.
  • Accurate modeling of solute-solvent electrostatic interactions is crucial in chemistry.

Purpose of the Study:

  • To investigate the sources of energy errors in the PCM for charged solutes.
  • To analyze the reaction field distribution within the PCM and compare it with other solvation models.
  • To identify specific PCM features that require modification for improved accuracy.

Main Methods:

  • Comparison of PCM reaction field distribution with molecular dynamics (MD) and 3D-RISM solvation models.
  • Analysis of solute-solvent electrostatic interactions.
  • Identification of discrepancies in reaction field representation, particularly for hydrogen bonds.

Main Results:

  • Identified four key issues with PCM: small reaction field gradient in water, shifted reaction field for solute proton hydrogen bonds, merged peaks for solvent proton hydrogen bonds, and overestimated electrostatic interaction energy (especially for anions).
  • Demonstrated that simple parameter retuning is insufficient to correct these PCM deficiencies.
  • Highlighted significant deviations in reaction field representation compared to MD and 3D-RISM.

Conclusions:

  • The PCM exhibits systematic errors in representing solute-solvent electrostatic interactions, particularly for charged species.
  • The identified features indicate fundamental limitations in the current PCM approach for accurately describing hydrogen bonding and electrostatic environments.
  • This research provides a foundation for developing advanced reaction field correction methods to enhance PCM accuracy.