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

Energy to Drive Translocation01:37

Energy to Drive Translocation

2.1K
Mitochondrial protein import is powered by two distinct energy sources: ATP hydrolysis and electrochemical potential across the inner membrane. Newly synthesized precursors are bound by cytosolic chaperones of the Hsp70 family, which guide them to the import receptors on the mitochondrial surface. Utilizing the energy of ATP hydrolysis, Hsp70 chaperones transfer these precursors to the TOM receptors on the mitochondrial outer membrane.
Generally, polypeptides are unfolded by two distinct...
2.1K
Short-distance Transport of Resources02:12

Short-distance Transport of Resources

16.3K
Short-distance transport refers to transport that occurs over a distance of just 2-3 cells, crossing the plasma membrane in the process. Small uncharged molecules, such as oxygen, carbon dioxide, and water, can diffuse across the plasma membrane on their own. In contrast, ions and larger molecules require the assistance of transport proteins due to their charge or size. Transport across membranes also occurs within individual cells, playing a variety of essential roles for the plant as a whole.
16.3K
Gibbs Free Energy02:39

Gibbs Free Energy

33.8K
One of the challenges of using the second law of thermodynamics to determine if a process is spontaneous is that it requires measurements of the entropy change for the system and the entropy change for the surroundings. An alternative approach involving a new thermodynamic property defined in terms of system properties only was introduced in the late nineteenth century by American mathematician Josiah Willard Gibbs. This new property is called the Gibbs free energy (G) (or simply the free...
33.8K
Facilitated Transport01:19

Facilitated Transport

128.7K
The chemical and physical properties of plasma membranes cause them to be selectively permeable. Since plasma membranes have both hydrophobic and hydrophilic regions, substances need to be able to transverse both regions. The hydrophobic area of membranes repels substances such as charged ions. Therefore, such substances need special membrane proteins to cross a membrane successfully. In  facilitated transport, also known as facilitated diffusion, molecules and ions travel across a...
128.7K
Gibbs Free Energy and Thermodynamic Favorability02:23

Gibbs Free Energy and Thermodynamic Favorability

6.9K
The spontaneity of a process depends upon the temperature of the system. Phase transitions, for example, will proceed spontaneously in one direction or the other depending upon the temperature of the substance in question. Likewise, some chemical reactions can also exhibit temperature-dependent spontaneities. To illustrate this concept, the equation relating free energy change to the enthalpy and entropy changes for the process is considered:
6.9K
Potential-Energy Criterion for Equilibrium01:16

Potential-Energy Criterion for Equilibrium

608
Potential energy or potential function plays an essential role in determining the stability of a mechanical system. If a system is subjected to both gravitational and elastic forces, the potential function of the system can be expressed as the algebraic sum of gravitational and elastic potential energy. If the system is in equilibrium and is displaced by a small amount, then the work done on the system equals the negative of the change in the system's potential energy from the initial to...
608

You might also read

Related Articles

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

Sort by
Same author

A Polypharmacology-Driven Approach to Alzheimer's Disease and Tauopathies: Rational Design, Synthesis and Characterization of Amino-Pyrazole-Based Multikinase (GSK-3β/FYN-α/DYRK1A) Inhibitors.

Journal of medicinal chemistry·2026
Same author

Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1.

Journal of chemical information and modeling·2026
Same author

Structural and Kinetic Basis for the Rational Design of Next-Generation β-Lactamase Inhibitors.

Journal of medicinal chemistry·2026
Same author

Targeting RAD51-BRCA2 Interaction to Enhance Synthetic Lethality with Olaparib in Pancreatic Cancer: Development of a Novel Phenyl Furan-Quinoline-Carboxylic Acid Series.

ACS medicinal chemistry letters·2026
Same author

A Metabolites' Interplay Can Modulate DNA Repair by Homologous Recombination.

International journal of molecular sciences·2026
Same author

GeNePi: a graphics processing unit enhanced next-generation bioinformatics pipeline for whole-genome sequencing analysis.

Briefings in bioinformatics·2026
Same journal

Precursor-Directed Self-Assembly in Hydrothermal Carbon Nitride Nanostructures Revealed by Nano-FTIR.

The journal of physical chemistry letters·2026
Same journal

Correction to "Equation-of-Motion Block-Correlated Coupled Cluster Method for Excited Electronic States of Strongly Correlated Systems".

The journal of physical chemistry letters·2026
Same journal

Rationalizing Stacking-Dependent Charge Injection Dynamics in Radical-Based Organic Light-Emitting Diodes.

The journal of physical chemistry letters·2026
Same journal

Bottom-Up Formation of the Simplest Geminal Thiol─Methanedithiol (CH<sub>2</sub>(SH)<sub>2</sub>)─and the Methyl Hydrodisulfide (H<sub>3</sub>CSSH) Isomer in Interstellar Analogue Ices.

The journal of physical chemistry letters·2026
Same journal

Trion Mediated Sequential Charge Separation in Functionalized CsPbBr<sub>3</sub>/AgInS<sub>2</sub> Hybrid Nanocrystals.

The journal of physical chemistry letters·2026
Same journal

Linking Local Water Electrostatic Potentials to Measured Hydrogen Evolution Onset in Aqueous Electrolytes.

The journal of physical chemistry letters·2026
See all related articles

Related Experiment Video

Updated: Aug 11, 2025

Application of Electrophysiology Measurement to Study the Activity of Electro-Neutral Transporters
11:51

Application of Electrophysiology Measurement to Study the Activity of Electro-Neutral Transporters

Published on: February 3, 2018

7.0K

Optimal Transport for Free Energy Estimation.

S Decherchi1, A Cavalli1

  • 1Fondazione Istituto Italiano di Tecnologia, Via Morego 30, Genoa 16163, Italy.

The Journal of Physical Chemistry Letters
|February 7, 2023
PubMed
Summary
This summary is machine-generated.

Optimal transport theory, a mathematical approach, is now used for computational free energy estimation. This method effectively optimizes alchemical transformation barriers, showing promising results in simulations.

More Related Videos

A Proteoliposome-Based Efflux Assay to Determine Single-molecule Properties of Cl- Channels and Transporters
07:47

A Proteoliposome-Based Efflux Assay to Determine Single-molecule Properties of Cl- Channels and Transporters

Published on: April 20, 2015

9.9K
Development of a Mobile Mitochondrial Physiology Laboratory for Measuring Mitochondrial Energetics in the Field
08:54

Development of a Mobile Mitochondrial Physiology Laboratory for Measuring Mitochondrial Energetics in the Field

Published on: August 27, 2021

1.5K

Related Experiment Videos

Last Updated: Aug 11, 2025

Application of Electrophysiology Measurement to Study the Activity of Electro-Neutral Transporters
11:51

Application of Electrophysiology Measurement to Study the Activity of Electro-Neutral Transporters

Published on: February 3, 2018

7.0K
A Proteoliposome-Based Efflux Assay to Determine Single-molecule Properties of Cl- Channels and Transporters
07:47

A Proteoliposome-Based Efflux Assay to Determine Single-molecule Properties of Cl- Channels and Transporters

Published on: April 20, 2015

9.9K
Development of a Mobile Mitochondrial Physiology Laboratory for Measuring Mitochondrial Energetics in the Field
08:54

Development of a Mobile Mitochondrial Physiology Laboratory for Measuring Mitochondrial Energetics in the Field

Published on: August 27, 2021

1.5K

Area of Science:

  • Mathematics
  • Computational Chemistry
  • Statistical Mechanics

Background:

  • Optimal transport theory is a mathematical framework with expanding applications.
  • Computational free energy estimation is crucial for understanding molecular transformations.
  • Alchemical transformations are widely used in computational chemistry to study molecular systems.

Purpose of the Study:

  • To apply optimal transport theory for computational free energy estimation.
  • To evaluate the effectiveness of optimal transport in optimizing alchemical transformation barriers.

Main Methods:

  • Analytical derivation of the optimal transport approach for free energy estimation.
  • Simulations to validate the analytical findings and assess barrier optimization.

Main Results:

  • The optimal transport method is analytically shown to be effective for free energy estimation.
  • Simulations confirm the efficacy of the approach in optimizing alchemical transformation barriers.

Conclusions:

  • Optimal transport theory provides an effective strategy for computational free energy estimation.
  • This approach offers a novel way to optimize barriers in alchemical transformations, advancing computational chemistry techniques.