title: Localization of Cl-35 nuclei in biological solids using rotational-echo double-resonance experiments.
abstract: Chloride ions play important roles in many chemical and biological processes. This paper investigates the possibility of localizing35Cl nuclei using solid-state NMR. It demonstrates that distances shorter than 3.8Å, between13C atoms and35Cl atoms in 10% uniformly labeled13C L-tyrosine·HCl and natural abundance Glycine·HCl can be measured using rotational-echo (adiabatic passage) double-resonance (RE(AP)DOR). Furthermore the effect of quadrupolar interaction on the REDOR/REAPDOR experiment is quantified. The dephasing curve is plotted in a three dimensional chart as a function of the dephasing time and of the strength of quadrupolar interaction felt by each orientation. During spinning each orientation feels a quadrupolar interaction that varies in time, and therefore at each moment in time we reorder the crystallite orientations as a function of their contribution to the dephasing curve. In this way the effect of quadrupolar interaction on the dipolar dephasing curve can be fitted with a polynomial function. The numerical investigation performed allows us to generate REDOR/REAPDOR curves which are then used to simulate the experimental data.
authors.affiliation: Department of Physics, University of Warwick, Coventry CV4 7AL, UK. Electronic address: d.iuga@warwick.ac.uk.
authors.forename: D
authors.initials: D
authors.lastname: Iuga
authors.affiliation: Department of Chemistry, Brandeis University, Waltham, MA 02454-9110, USA.
authors.forename: P
authors.initials: P
authors.lastname: Rossi
authors.affiliation: Department of Chemistry, Brandeis University, Waltham, MA 02454-9110, USA.
authors.forename: J
authors.initials: J
authors.lastname: Herzfeld
authors.affiliation: Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, 150 Albany Street Cambridge, MA 02139, USA. Electronic address: rgg@MIT.EDU.
authors.forename: R G
authors.initials: RG
authors.lastname: Griffin
mesh_terms: D004583:Electrons; D005998:Glycine / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012399:Rotation
chemical_list: D005998:Glycine
keywords: (35)Cl; Half-integer quadrupolar nuclei; Hydrochlorides; NMR, REDOR; REAPDOR