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

Nuclear Magnetic Resonance (NMR): Overview01:07

Nuclear Magnetic Resonance (NMR): Overview

6.8K
Nuclear magnetic resonance (NMR) is a phenomenon exhibited by certain nuclei that can absorb characteristic radio frequency radiation under certain conditions. NMR has been extensively applied in molecular spectroscopy and medical diagnostic imaging. In both these applications, the molecule or subject under study is placed in a magnetic field and irradiated with radio frequency energy.
NMR spectroscopy generates a spectrum where the characteristic absorption frequencies of the sample are...
6.8K
NMR Spectrometers: Overview01:20

NMR Spectrometers: Overview

2.0K
NMR spectrometers consist of a strong magnet, a radiofrequency transmitter, and a detector attached to a computer console for recording spectra of samples containing NMR-active nuclei. In first-generation NMR instruments called continuous-wave spectrometers, the resonance frequencies of the nuclei are determined by frequency-sweep or field-sweep methods. The magnetic field strength is fixed and the rf signal is swept in the former, while the radiofrequency signal is fixed and the magnetic field...
2.0K
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

1.6K
The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
1.6K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

3.4K
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...
3.4K
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

1.4K
The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
1.4K
Applications Of NMR In Biology01:25

Applications Of NMR In Biology

3.3K
Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics  for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
3.3K

You might also read

Related Articles

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

Sort by
Same author

High-resolution structure of monomorphic Aβ<sub>1-40</sub> fibrils.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Through-space donor-acceptor homoconjugation strategies for emissive radical species.

Chemical science·2026
Same author

Aducanumab binding to Aβ<sub>1-42</sub> fibrils alters dynamics of the N-terminal tail while preserving the fibril core.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

Atomic Structure of GNNQQNY Nanocrystals: A Validated Approach for Polymorphic Amyloids.

The journal of physical chemistry letters·2025
Same author

Aducanumab Binding to Aβ<sub>1-42</sub> Fibrils Alters Dynamics of the N-Terminal Tail While Preserving the Fibril Core.

bioRxiv : the preprint server for biology·2025
Same author

Diamond rotors for high magic angle spinning frequencies.

Journal of magnetic resonance (San Diego, Calif. : 1997)·2025

Related Experiment Video

Updated: May 1, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

16.8K

SPINEVOLUTION: a powerful tool for the simulation of solid and liquid state NMR experiments.

Mikhail Veshtort1, Robert G Griffin

  • 1Department of Chemistry, MIT/Harvard Center for Magnetic Resonance, Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.

Journal of Magnetic Resonance (San Diego, Calif. : 1997)
|December 13, 2005
PubMed
Summary

SPINEVOLUTION is a new, highly efficient computer program for simulating Nuclear Magnetic Resonance (NMR) experiments. It significantly speeds up complex solid-state NMR simulations, aiding structural and dynamic information extraction.

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

1.8K
15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the &#181;s-ms Timescale
08:09

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale

Published on: April 19, 2021

4.8K

Related Experiment Videos

Last Updated: May 1, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

16.8K
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

1.8K
15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the &#181;s-ms Timescale
08:09

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale

Published on: April 19, 2021

4.8K

Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Computational Chemistry
  • Solid-State Physics

Background:

  • Accurate numerical simulations are crucial for advancing NMR techniques and interpreting experimental data.
  • Solid-state magic angle spinning (MAS) NMR simulations present significant computational and programming challenges.

Purpose of the Study:

  • To introduce SPINEVOLUTION, a novel, highly optimized computer program for NMR simulations.
  • To present a new methodology that enhances the efficiency and automation of NMR computations.
  • To provide a versatile and user-friendly tool for simulating and optimizing diverse NMR experiments.

Main Methods:

  • Development of advanced algorithms for dramatically improving computational efficiency.
  • Implementation of these algorithms into the SPINEVOLUTION software package.
  • Benchmarking SPINEVOLUTION against existing NMR simulation software (SIMPSON).

Main Results:

  • SPINEVOLUTION demonstrates significantly improved efficiency for complex solid-state NMR simulations.
  • The program is versatile, supporting a wide range of NMR experiments, including those with complex pulse sequences and multi-spin systems.
  • Performance benchmarks show SPINEVOLUTION to be orders of magnitude faster than SIMPSON.

Conclusions:

  • SPINEVOLUTION offers a powerful and efficient solution for NMR simulations, particularly for solid-state experiments.
  • The software facilitates the extraction of structural and dynamic information from NMR spectra.
  • SPINEVOLUTION is available free of charge for non-commercial use.