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 Experiment Videos

Collective diffusion model for water permeation through microscopic channels.

Fangqiang Zhu1, Emad Tajkhorshid, Klaus Schulten

  • 1Theoretical and Computational Biophysics Group, Beckman Institute, University of Illinois at Urbana-Champaign, 405 N. Mathews, Urbana, Illinois 61801, USA.

Physical Review Letters
|December 17, 2004
PubMed
Summary

This study models water permeation in nanometric channels using a single collective coordinate. The new collective diffusion model simplifies complex water movement for accurate osmotic permeability calculations.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Evolution of N-terminal mechanical lability as a determinant for Type III secretion.

Protein science : a publication of the Protein Society·2026
Same author

Role of stereochemistry on electron transport in peptides.

bioRxiv : the preprint server for biology·2026
Same author

Cytosolic K<sup>+</sup> Binding to the Human Serotonin Transporter.

Journal of chemical theory and computation·2026
Same author

Characterization of Membrane Binding and Protein-Lipid Interactions at the Atomic Level with an Accelerated HMMM Model.

Methods in molecular biology (Clifton, N.J.)·2026
Same author

Characterization and Computational Engineering of Structural Elements Controlling Gas Permeability in PIP2;1 Aquaporins.

Journal of computational chemistry·2026
Same author

Elucidating the binding and metabolic interactions of sunitinib and sorafenib with Cytochrome P450s CYP2U1 and CYP2D6.

Molecular pharmacology·2026

Area of Science:

  • Physical Chemistry
  • Nanotechnology
  • Biophysics

Background:

  • Water permeation through nanometric channels is a complex, many-body process.
  • Understanding this process is crucial for various applications, including water purification and biological transport.

Purpose of the Study:

  • To develop a simplified model for water permeation through nanometric channels.
  • To describe water movement using a single collective coordinate.
  • To enable determination of osmotic permeability from equilibrium simulations.

Main Methods:

  • A collective diffusion model is proposed.
  • Water movement at equilibrium is characterized as unbiased diffusion along a collective coordinate.
  • Water transport under chemical potential difference is modeled as one-dimensional diffusion in a linear potential.

Related Experiment Videos

Main Results:

  • The proposed model successfully describes water permeation using a single collective coordinate.
  • The model simplifies the complex many-body interactions of water molecules.
  • Osmotic permeability can be determined from equilibrium simulations using this model.

Conclusions:

  • The collective diffusion model provides an effective framework for studying water transport in nanometric channels.
  • This approach simplifies the analysis of water permeation, making it more accessible.
  • The model has implications for designing and understanding nanoporous materials and biological channels.