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

2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
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.
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
Nuclear Overhauser Enhancement (NOE)01:06

Nuclear Overhauser Enhancement (NOE)

Irradiation of a spin-active nucleus causes an increase or decrease in the signal intensity of neighboring nuclei that are not necessarily chemically bonded or involved in J-coupling. This phenomenon, called the nuclear Overhauser enhancement (NOE), results from through-space interactions between the nuclear spins. The NOE effect decreases with increasing internuclear distance and is generally not observed beyond 4 angstroms. In NOE, dipole-dipole interactions between neighboring spin-active...
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved in...
2D NMR: Homonuclear Correlation Spectroscopy (COSY)01:06

2D NMR: Homonuclear Correlation Spectroscopy (COSY)

Homonuclear correlation spectroscopy, or COSY, is a 2-dimensional NMR technique that provides information about coupled protons. Typically, the geminal and vicinal coupling are observed. For example, consider the COSY spectrum of ethyl acetate, where its 1D proton NMR spectrum is plotted along the vertical and horizontal axes with their corresponding chemical shift scale. Three spots on the diagonal corresponding to the three peaks in the 1D proton spectrum are called diagonal peaks. The COSY...

You might also read

Related Articles

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

Sort by
Same author

Desmearing Bonse-Hart USANS data using Bayesian Gaussian process regression.

The Journal of chemical physics·2026
Same author

Programmable Electrostatics in Charge-Patterned Polypeptoid Micelles Probed by Small-Angle Neutron Scattering.

Macromolecules·2026
Same author

An algebraic convolution formulation for multiple-scattering correction in small-angle neutron scattering.

The Journal of chemical physics·2026
Same author

A Bayesian desmearing algorithm for Bonse-Hart USANS with anisotropic scattering.

The Journal of chemical physics·2026
Same author

Bayesian Gaussian process inference for neutron spin echo measurement.

The Journal of chemical physics·2025
Same author

Real-world modeling and simulation for the self-organized toroidal packing of a DNA chain.

Scientific reports·2025

Related Experiment Video

Updated: Jun 16, 2026

Neutron Spin Echo Spectroscopy as a Unique Probe for Lipid Membrane Dynamics and Membrane-Protein Interactions
10:02

Neutron Spin Echo Spectroscopy as a Unique Probe for Lipid Membrane Dynamics and Membrane-Protein Interactions

Published on: May 27, 2021

A Monte Carlo algorithm for computing spin echo small angle neutron scattering correlation functions in real space:

Chwen-Yang Shew1, Wei-Ren Chen

  • 1Department of Chemistry, College of Staten Island, City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, USA. shew@mail.csi.cuny.edu

The Journal of Chemical Physics
|February 2, 2010
PubMed
Summary

A new Monte Carlo algorithm accurately calculates liquid correlation functions from spin echo small angle neutron scattering (SESANS) spectra. This method is robust for modeling particle interactions in fluids.

More Related Videos

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
08:03

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy

Published on: April 13, 2022

Using Neutron Spin Echo Resolved Grazing Incidence Scattering to Investigate Organic Solar Cell Materials
06:05

Using Neutron Spin Echo Resolved Grazing Incidence Scattering to Investigate Organic Solar Cell Materials

Published on: January 15, 2014

Related Experiment Videos

Last Updated: Jun 16, 2026

Neutron Spin Echo Spectroscopy as a Unique Probe for Lipid Membrane Dynamics and Membrane-Protein Interactions
10:02

Neutron Spin Echo Spectroscopy as a Unique Probe for Lipid Membrane Dynamics and Membrane-Protein Interactions

Published on: May 27, 2021

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
08:03

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy

Published on: April 13, 2022

Using Neutron Spin Echo Resolved Grazing Incidence Scattering to Investigate Organic Solar Cell Materials
06:05

Using Neutron Spin Echo Resolved Grazing Incidence Scattering to Investigate Organic Solar Cell Materials

Published on: January 15, 2014

Area of Science:

  • Computational physics
  • Materials science
  • Statistical mechanics

Background:

  • Spin Echo Small Angle Neutron Scattering (SESANS) is a powerful technique for probing liquid structures.
  • Accurate computation of correlation functions is crucial for understanding liquid behavior.
  • Existing simulation methods may have limitations in complex fluid systems.

Purpose of the Study:

  • To develop and validate a Monte Carlo algorithm for computing autocorrelation and spatial correlation functions from SESANS data.
  • To assess the algorithm's accuracy for both simple and complex liquid models.
  • To explore the sensitivity of SESANS spatial correlation functions to inter-particle interactions.

Main Methods:

  • Development of a Monte Carlo simulation algorithm.
  • Testing the algorithm with hard sphere and dumbbell models.
  • Application to many-body systems: hard sphere fluids and attractive tail models.
  • Comparison with Percus-Yevic (PY) integral equation theory.

Main Results:

  • The Monte Carlo algorithm accurately reproduces theoretical results for simple models.
  • Simulations show good agreement with PY theory for tested liquid densities.
  • The SESANS spatial correlation function demonstrates high sensitivity to particle interaction potentials.

Conclusions:

  • The developed Monte Carlo algorithm is robust and accurate for SESANS data analysis.
  • The algorithm can be extended to study more complex fluid systems.
  • SESANS is a valuable tool for investigating inter-particle interactions in liquids.