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Measurement of chemical shifts and coupling constants for glutamate and glutamine
Author(s) -
Govindaraju Varanavasi,
Basus Vladimir J.,
Matson Gerald B.,
Maudsley Andrew A.
Publication year - 1998
Publication title -
magnetic resonance in medicine
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.696
H-Index - 225
eISSN - 1522-2594
pISSN - 0740-3194
DOI - 10.1002/mrm.1910390620
Subject(s) - chemical shift , coupling constant , spectral line , coupling (piping) , a priori and a posteriori , glutamine , chemistry , proton , spin (aerodynamics) , nuclear magnetic resonance , constant (computer programming) , biological system , physics , materials science , thermodynamics , computer science , amino acid , quantum mechanics , biochemistry , philosophy , epistemology , biology , metallurgy , programming language
Proton chemical shifts and coupling constants were obtained for glutamate and glutamine in water (D 2 O) at pH = 6.6. Initial chemical shift and coupling constant values obtained from experimental spectra were refined using a spectral simulation and optimization program to get a complete set of values that could not otherwise be measured directly from the experimental spectra due to strong spin‐spin couplings. These values are essential for automated spectral fitting procedures that require a priori information.