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

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.
Multicompartment Models: Overview01:14

Multicompartment Models: Overview

Multicompartment models are mathematical constructs that depict how drugs are distributed and eliminated within the body. They segment the body into several compartments, symbolizing various physiological or anatomical areas connected through drug transfer processes such as absorption, metabolism, distribution, and elimination.
These models offer a more comprehensive representation of drug behavior in the body than one-compartment models. They accommodate the complexity of drug distribution,...
Multi-input and Multi-variable systems01:22

Multi-input and Multi-variable systems

Cruise control systems in cars are designed as multi-input systems to maintain a driver's desired speed while compensating for external disturbances such as changes in terrain. The block diagram for a cruise control system typically includes two main inputs: the desired speed set by the driver and any external disturbances, such as the incline of the road. By adjusting the engine throttle, the system maintains the vehicle's speed as close to the desired value as possible.
In the absence of...
Transmission-Line Differential Equations01:26

Transmission-Line Differential Equations

Transmission lines are essential components of electrical power systems. They are characterized by the distributed nature of resistance (R), inductance (L), and capacitance (C) per unit length. To analyze these lines, differential equations are employed to model the variations in voltage and current along the line.
Line Section Model
A circuit representing a line section of length Δx helps in understanding the transmission line parameters. The voltage V(x) and current i(x) are measured from the...

You might also read

Related Articles

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

Sort by
Same author

Investigation of inter-subject variation in ultrafine particle deposition across human nasal airways: A study involving children, adults, and the elderly.

The Science of the total environment·2024
Same author

Refinement of the acute inhalation limit test for inert, nano-sized dusts by an <i>in silico</i> dosimetry-based evaluation: case study for the dissolution of a regulatory dilemma.

Frontiers in toxicology·2023
Same author

In Silico Quantification of Intersubject Variability on Aerosol Deposition in the Oral Airway.

Pharmaceutics·2023
Same author

Pharmacokinetics, Safety and Efficacy of Intravenous Vedolizumab in Paediatric Patients with Ulcerative Colitis or Crohn's Disease: Results from the Phase 2 HUBBLE Study.

Journal of Crohn's & colitis·2022
Same author

Translating dosimetry of Dibenzo[def,p]chrysene (DBC) and metabolites across dose and species using physiologically based pharmacokinetic (PBPK) modeling.

Toxicology and applied pharmacology·2021
Same author

Bispecific antibodies: A guide to model informed drug discovery and development.

Heliyon·2021
Same journal

Analysis of End-Tidal CO2 Variability During Plateau Waves Episodes: An Information Theoretic Approach<sup></sup>.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference·2025
Same journal

AI and Tomosynthesis for Breast Cancer Molecular Subtyping: A step toward precision medicine<sup></sup>.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference·2025
Same journal

Towards Sustainable Protein Recovery from Biological Waste: Assessing Polyethersulfone-based Microfiltration.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference·2025
Same journal

Analysis of the cardiovascular response to standardized polymicrobial peritonitis experimental model.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference·2025
Same journal

Automated Wrist Ultrasound Image Bone Enhancement and Segmentation Using Deep Learning.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference·2025
Same journal

A Deep Learning approach for Depressive Symptoms assessment in Parkinson's disease patients using facial videos.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference·2025
See all related articles

Related Experiment Video

Updated: May 25, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

A multiscale bidirectional coupling framework.

Senthil Kabilan1, Andrew P Kuprat, Michael P Hlastala

  • 1Biological Monitoring and Modeling, Pacific Northwest National Laboratory, Richland, WA, USA.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
|January 19, 2012
PubMed
Summary
This summary is machine-generated.

This study presents a new computational framework linking lower-scale ordinary differential equations (ODEs) with 3D computational fluid dynamics (CFD) airway models. The coupled models accurately simulate lung mechanics with minimal computational overhead.

Related Experiment Videos

Last Updated: May 25, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Area of Science:

  • Computational fluid dynamics (CFD)
  • Multiscale modeling
  • Respiratory mechanics

Background:

  • The lung's complex geometry across scales presents computational challenges for modeling airway mechanics.
  • Linking lower-scale ordinary differential equations (ODEs) to 3D models requires robust iterative communication.

Purpose of the Study:

  • To develop and validate a novel multiscale computational framework for bidirectionally coupling 3D CFD models with ODE systems.
  • To assess the accuracy and computational efficiency of the coupled framework.

Main Methods:

  • A novel multiscale framework was developed to couple 3D CFD models with ODE systems.
  • Weibel lung models (4 and 8 generations) were used for validation, with truncated portions represented by RL circuits.
  • Flow characteristics were compared between coupled and uncoupled full 3D CFD models.

Main Results:

  • The coupled CFD-ODE models demonstrated high accuracy, with differences in mass flux and pressure <2.43% compared to uncoupled models.
  • Flow characteristics at key locations showed good agreement between coupled and uncoupled simulations.
  • The computational cost of ODE coupling was comparable to uncoupled 3D-CFD due to Krylov subspace reuse.

Conclusions:

  • The developed multiscale framework effectively couples 3D CFD and ODE models for lung mechanics.
  • The framework offers an accurate and computationally efficient approach for simulating complex respiratory dynamics.