Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Double Resonance Techniques: Overview

Double Resonance Techniques: Overview

Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...

Molecular Orbital Theory I

Molecular Orbital Theory I

Overview of Molecular Orbital Theory

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...

2D NMR: Overview of Homonuclear Correlation Techniques

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...

π Electron Effects on Chemical Shift: Overview

π Electron Effects on Chemical Shift: Overview

An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0, resulting in...

Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals

Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals

Ideally, an unpaired electron shows a single peak in the EPR spectrum due to the transition between the two spin energy states. However, coupling interactions can occur between the spins of the unpaired electron and any neighboring spin-active nuclei. This hyperfine coupling results in hyperfine splitting, where the EPR signal is split into multiplets. The signals split into 2nI + 1 peaks, where n is the number of equivalent nuclei and I is the nuclear spin. These splitting patterns provide...

You might also read

Related Articles

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

Sort by

Same author

Determination of helix orientations in a flexible DNA by multi-frequency EPR spectroscopy.

Physical chemistry chemical physics : PCCP·2017

Same author

Flexibility and conformation of the cocaine aptamer studied by PELDOR.

Physical chemistry chemical physics : PCCP·2016

Same author

Advanced EPR Methods for Studying Conformational Dynamics of Nucleic Acids.

Methods in enzymology·2015

Same author

Pulsed EPR dipolar spectroscopy at Q- and G-band on a trityl biradical.

Physical chemistry chemical physics : PCCP·2015

Same author

Conformational dynamics of nucleic acid molecules studied by PELDOR spectroscopy with rigid spin labels.

Journal of magnetic resonance (San Diego, Calif. : 1997)·2015

Same author

Cardiovascular and sympathetic responses to a mental stress task in young patients with hypertension and/or obesity.

Physiological research·2015

Search research articles

Related Experiment Video

Updated: Jun 25, 2026

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

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

Published on: September 17, 2017

Molecular orientation studies by pulsed electron-electron double resonance experiments.

A Marko¹, D Margraf, H Yu

¹Institute of Physical and Theoretical Chemistry, J. W. Goethe University, Max-von-Laue-Str. 7, D-60438 Frankfurt, Germany. marko@prisner.de

The Journal of Chemical Physics

|February 19, 2009

Summary

Pulsed electron-electron double resonance (PELDOR) analysis can now determine macromolecular structure by deconvoluting distance and orientation information. This method accurately models PELDOR signals, revealing both spin label orientation and distance distributions.

More Related Videos

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels

Published on: July 4, 2016

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Published on: December 1, 2023

Related Experiment Videos

Last Updated: Jun 25, 2026

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

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

Published on: September 17, 2017

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels

Published on: July 4, 2016

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Multimodal Nonlinear Hyperspectral Chemical Imaging Using Line-Scanning Vibrational Sum-Frequency Generation Microscopy

Published on: December 1, 2023

Area of Science:

Biophysics
Structural Biology
Spectroscopy

Background:

Pulsed electron-electron double resonance (PELDOR) measures long-range distances in macromolecules using spin labels.
PELDOR signal analysis is complicated by the orientation of spin labels, which affects distance measurements.
Understanding spin label orientation is crucial for accurate structural determination.

Purpose of the Study:

To develop a method for simultaneously extracting distance distribution and spin label orientation information from PELDOR data.
To demonstrate the utility of this method using model systems and molecular dynamics simulations.

Main Methods:

Representing the PELDOR signal as a convolution of distance distribution and orientation intensity functions.
Employing Tikhonov regularization to estimate distance distribution and orientation intensity from experimental data.
Validating the method with small biradical molecules and comparing with molecular dynamics simulations.

Main Results:

A novel strategy was developed to decouple distance and orientation information in PELDOR experiments.
The method successfully determined both distance distributions and orientation intensity functions.
Experimental results showed excellent agreement with predictions from molecular dynamics simulations.

Conclusions:

The proposed method provides a robust approach to analyze PELDOR data, yielding insights into both distance and orientation.
This technique enhances the capability of PELDOR for detailed structural studies of noncrystalline macromolecules.
The findings support the use of PELDOR for advanced structural characterization.