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Updated: Sep 12, 2025
07:24
Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
Published on: September 23, 2021
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Deep Learning for Hyperpolarized NMR of Intrinsically Disordered Proteins without Resolution Loss: Access to
Ertan Turhan1, Christopher Pötzl1,2, Dörte Brandis1,2
1Faculty of Chemistry, Institute of Biological Chemistry, University of Vienna, Währinger Str. 38, Vienna, 1090, Austria.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|August 8, 2025
Summary
We developed HyperW-Decon, a novel Nuclear Magnetic Resonance (NMR) method. This technique enhances sensitivity and resolution for studying biomolecules, revealing transient protein complexes.
Area of Science:
- Biochemistry
- Biophysics
- Analytical Chemistry
Background:
- Solution-state Nuclear Magnetic Resonance (NMR) suffers from low sensitivity, limiting atomic-resolution characterization of transient biomolecular states.
- Dissolution dynamic nuclear polarization (dDNP) enhances NMR signals but is plagued by rapid polarization decay and spectral distortion.
Purpose of the Study:
- To introduce HyperW-Decon, a method for high-sensitivity, high-resolution NMR of biomolecules in solution.
- To overcome limitations of dDNP by correcting polarization-induced artifacts.
Main Methods:
- Utilizing hyperpolarized water (HyperW) for efficient polarization transfer to proteins via proton exchange.
- Employing a theory-driven, machine learning (ML)-based deconvolution algorithm to correct spectral distortions without external references.
Main Results:
- HyperW-Decon successfully achieves high-sensitivity and high-resolution NMR for biomolecules.
- The method effectively corrects dDNP-induced spectral distortions based on first-principles understanding.
- Applied to intrinsically disordered proteins (IDPs) in biomineralization, it resolved short-lived ion-peptide complexes.
Conclusions:
- HyperW-Decon offers a scalable solution for spectral distortion in dDNP-NMR.
- This approach enables unprecedented atomic-resolution insights into transient biomolecular interactions, particularly for IDPs.
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