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Updated: Oct 21, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
The Intermolecular NOE Depends on Isotope Selection: Short Range vs Long Range Behavior
Philipp Honegger1,2, Maria Enrica Di Pietro3, Franca Castiglione3
1Department of Systems Biology, Harvard Medical School, 200 Longwood Avenue, Boston, Massachusetts 02115, United States.
By selecting isotopes with different gyromagnetic ratios, researchers can achieve short-ranged intermolecular nuclear Overhauser effect (NOE) signals. This breakthrough enhances molecular structure elucidation for intermolecular interactions.
Area of Science:
- Nuclear Magnetic Resonance (NMR) Spectroscopy
- Structural Biology
- Computational Chemistry
Background:
- Nuclear Overhauser effect (NOE) is crucial for molecular structure elucidation.
- Intermolecular NOE studies are limited by unspecific long-range interactions.
Purpose of the Study:
- To overcome limitations in intermolecular NOE studies.
- To enable precise intermolecular structure elucidation.
Main Methods:
- Joint experimental and computational approach.
- Strategic selection of isotopes with differing gyromagnetic ratios.
Main Results:
- Demonstrated that specific isotope selection leads to short-ranged intermolecular NOEs.
- Overcame the unspecific long-ranged interaction behavior.
Conclusions:
- A novel strategy for enhancing intermolecular NOE experiments.
- Opens new possibilities for detailed intermolecular structure determination.
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