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Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments.

D Iuga1, P Rossi2, J Herzfeld2

  • 1Department of Physics, University of Warwick, Coventry CV4 7AL, UK.

Solid State Nuclear Magnetic Resonance
|February 11, 2017
PubMed
Summary

This study demonstrates solid-state Nuclear Magnetic Resonance (NMR) can measure short distances between carbon-13 and chlorine-35 nuclei. The rotational-echo double-resonance technique quantifies quadrupolar interaction effects for precise localization.

Keywords:
(35)ClHalf-integer quadrupolar nucleiHydrochloridesNMR, REDORREAPDOR

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Area of Science:

  • Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy.
  • Quantum chemistry and molecular interactions.
  • Biophysical chemistry and structural biology.

Background:

  • Chloride ions are crucial in numerous chemical and biological systems.
  • Accurate determination of internuclear distances is vital for understanding molecular structures and interactions.
  • Solid-state NMR offers a powerful tool for probing molecular environments.

Purpose of the Study:

  • To investigate the feasibility of localizing 35Cl nuclei using solid-state NMR.
  • To measure short distances (<3.8Å) between 13C and 35Cl atoms.
  • To quantify the influence of quadrupolar interactions on NMR experiments.

Main Methods:

  • Application of rotational-echo (adiabatic passage) double-resonance (RE(AP)DOR) technique.
  • Utilizing 13C-labeled L-tyrosine·HCl and natural abundance Glycine·HCl.
  • Numerical simulations to analyze dephasing curves and quadrupolar effects.

Main Results:

  • Successful measurement of 13C-35Cl distances shorter than 3.8Å.
  • Quantification of the quadrupolar interaction's effect on REDOR/REAPDOR experiments.
  • Development of a method to fit quadrupolar interaction effects using polynomial functions.

Conclusions:

  • Solid-state NMR, specifically RE(AP)DOR, is effective for short-range 13C-35Cl distance measurements.
  • The study provides a framework for incorporating quadrupolar interactions into NMR data analysis.
  • This methodology enhances the capability of NMR for structural elucidation in systems containing chloride.