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Conformational changes of amino acids monitored by deuterium nuclear relaxation rate
Author(s) -
Van Haverbeke Yves,
Muller Robert N.,
Elst Luce Vander
Publication year - 1986
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260240403
Subject(s) - chemistry , deuterium , aqueous solution , amino acid , lysine , relaxation (psychology) , acetic acid , molecular dynamics , computational chemistry , stereochemistry , organic chemistry , biochemistry , psychology , social psychology , physics , quantum mechanics
As an extension of previous work on simple amino acids, deuterium nuclear relaxation rates were used to study the molecular dynamics of γ‐2,2‐[ 2 H 2 ]aminobutyric acid, d,l ‐2‐[ 2 H 1 ]glutamic acid and d,l ‐2‐[ 2 H 1 ]lysine, and also model compounds 2,2,2‐[ 2 H 3 ]acetic acid and 1,1‐[ 2 H 2 ]butylamine. This study was carried out in aqueous solution in the pH range ca 0–14. From the observed rotational correlation times and solution viscosities, molecular volumes of various ionic forms were calculated using the Gierer and Wirtz model. The results obtained are in good agreement with conformational changes expected in the pH range investigated.