Related Experiment Video
Updated: Jan 8, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Towards full optimisation of automated double electron-electron resonance spectroscopy
Hugo Karas1, Sergei Kuzin1, Stefan Stoll2
1Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, Zürich 8093, Switzerland. gjeschke@ethz.ch.
We developed an automated protocol and software (autoDEER) for double electron-electron resonance (DEER) spectroscopy. This makes DEER measurements more accessible, reliable, and reproducible for analyzing biological and material systems.
Area of Science:
- Biophysics
- Materials Science
- Spectroscopy
Background:
- Double electron-electron resonance (DEER) is crucial for determining distance distributions in biological and synthetic materials.
- Manual DEER setup is complex, requiring significant expertise and time, hindering broader application and reproducibility.
Purpose of the Study:
- To develop a fully automatable protocol for nitroxide-nitroxide DEER spectroscopy.
- To enhance the accessibility, reliability, and reproducibility of DEER measurements.
- To introduce autoDEER, a software solution for automated DEER experiments.
Main Methods:
- Implementation of optimized pulse sequences and advanced data processing techniques.
- Development of autoDEER, a Python-based software compatible with various spectrometers.
- Creation of a push-button protocol for sample insertion to automated measurement and data analysis.
Main Results:
- Demonstrated a fully automated DEER measurement protocol and software (autoDEER).
- Achieved robust and generally applicable results across diverse biological samples.
- Showcased the ability to perform setup experiments and distance distribution inference automatically.
Conclusions:
- The autoDEER protocol significantly improves accessibility and reproducibility of DEER spectroscopy.
- Automated DEER measurements are robust and applicable to various samples of biological interest.
- This advancement facilitates wider adoption of DEER for distance measurements in scientific research.
More Related Videos
06:34In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
Published on: September 2, 2016
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
Related Concept Videos
Double Resonance Techniques: Overview
Spin decoupling is usually achieved by...
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
Molecular Spectroscopy: Absorption and Emission
UV–Vis Spectroscopy: Molecular Electronic Transitions
Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals