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

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra. Schrödinger...
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other axis.
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must have a...
Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
Debye–Huckel–Onsager Conductance Equation01:28

Debye–Huckel–Onsager Conductance Equation

The Debye-Hückel-Onsager equation is a cornerstone of physical chemistry, providing a method to determine the molar conductance (Λm) and molar conductance at infinite dilution (Λ°m) for uni-univalent electrolytes.Uni-univalent electrolytes are electrolytes that dissociate in solution to produce one cation with a +1 charge and one anion with a –1 charge per formula unit.This equation addresses two crucial phenomena: the asymmetry effect and the electrophoretic effect. According to this equation,...
Directionality of Nuclear Transport01:42

Directionality of Nuclear Transport

Ras-related nuclear protein or Ran is a small G protein that cycles between its GTP and GDP bound states. Ran specific regulators, a Ran GTPase Activating Protein or RanGAP present in the cytosol and a Ran guanine nucleotide exchange factor or RanGEF present inside the nucleus regulate GTP/GDP exchange. A high concentration of GTP inside the cells, in addition to this asymmetric distribution of  Ran-specific regulators, leads to a higher RanGTP concentration inside the nucleus. This...

You might also read

Related Articles

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

Sort by
Same author

Multiomics reveals fatty acid metabolism and immune remodeling in retinal artery occlusion.

iScience·2026
Same author

Correlated clustering and projection for dimensionality reduction.

Machine learning: science and technology·2026
Same author

Knowledge Discovery and Drug-Repurposing Framework for Pancreatic Ductal Adenocarcinoma: Molecular Networking and Computational Docking.

Computational and structural biotechnology journal·2026
Same author

Editorial Expression of Concern: Nociceptive neurons promote gastric tumour progression via a CGRP-RAMP1 axis.

Nature·2026
Same author

VARIANT: Web Server for Decoding and Analyzing Viral Mutations at Genome and Protein Levels.

ArXiv·2026
Same author

Manifold topological deep learning for biomedical data.

Nature communications·2026

Related Experiment Video

Updated: May 23, 2026

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water
08:48

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water

Published on: April 28, 2022

Quantum dynamics in continuum for proton transport--generalized correlation.

Duan Chen1, Guo-Wei Wei

  • 1Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA.

The Journal of Chemical Physics
|April 10, 2012
PubMed
Summary
This summary is machine-generated.

This study introduces a new model for proton transport in biological systems, accounting for quantum proton behavior and environmental interactions. The model accurately predicts proton movement through membrane channels, validated by experimental data.

More Related Videos

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Related Experiment Videos

Last Updated: May 23, 2026

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water
08:48

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water

Published on: April 28, 2022

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Area of Science:

  • Biophysics
  • Computational Biology
  • Quantum Chemistry

Background:

  • Proton transport is crucial for biological energy transduction and sensory systems.
  • Existing models often simplify proton interactions with their environment.
  • Understanding these interactions is key to deciphering complex biological processes.

Purpose of the Study:

  • To develop a multiscale/multiphysics model for proton transport in membrane proteins.
  • To incorporate generalized correlations (proton-proton, -ion, -protein, -water interactions) into proton dynamics.
  • To accurately simulate proton permeation by including non-electrostatic effects.

Main Methods:

  • Protons treated as quantum particles; environment (protein, ions, water) treated classically.
  • Proton-environment interactions formulated as convolutions with interaction kernels.
  • Variational principle used to derive generalized Laplace-Beltrami, Poisson-Boltzmann, and Kohn-Sham equations.
  • Numerical algorithms including matched interface and boundary method and Krylov space techniques employed.

Main Results:

  • The model successfully integrates generalized correlations into the proton Hamiltonian.
  • Non-electrostatic interactions like finite size, confinement, dehydration, and hydrogen bonding are accounted for.
  • Model predictions for current-voltage and current-concentration curves match experimental data for Gramicidin A.

Conclusions:

  • The developed generalized correlation model provides a more comprehensive description of proton transport.
  • This framework enhances the accuracy and robustness of simulating proton dynamics in biological systems.
  • The model offers a powerful tool for studying proton-related mechanisms in biophysics and beyond.