Relaxation optimized double acquisition (RODA) as an alternative for virtual decoupling of NMR spectra

Area of Science:

• Nuclear Magnetic Resonance (NMR) Spectroscopy
• Structural Biology
• Biophysics

Background:

• Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for determining the structure and dynamics of molecules.
• Sensitivity limitations can hinder the study of large biomolecules or low-abundance samples.
• The Transverse Relaxation-Optimized Spectroscopy (TROSY) effect enhances spectral quality for such systems.

Purpose of the Study:

• To introduce RODA (Rapid Optimized Double Acquisition), an alternative method for spin-state selection.
• To demonstrate RODA's ability to increase sensitivity in NMR experiments.
• To showcase RODA's compatibility with existing NMR pulse sequences and its applicability to various spin systems.

Main Methods:

• RODA utilizes a double acquisition scheme to record the TROSY component of a doublet twice.
• The method relies on simple addition of consecutive NMR signals, requiring no specialized processing.
• RODA was tested on systems with 15N-1H, 19F-13C, and 1H-13C moieties exhibiting a TROSY effect.

Main Results:

• RODA significantly enhances sensitivity for spin systems exhibiting a TROSY effect.
• The method demonstrated broad applicability across different isotopic labeling schemes.
• Increased sensitivity was also achieved for virtual decoupling in single double acquisition experiments, relevant for dissolution Dynamic Nuclear Polarization (DNP).

Conclusions:

• RODA offers a straightforward and effective approach to improve NMR sensitivity.
• Its seamless integration into existing experiments makes it a valuable tool for structural and dynamic studies.
• RODA expands the possibilities for high-sensitivity NMR, including applications with dissolution DNP.