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Estimation of the spin–lattice relaxation time constants of low molecular weight solutes in dilute complex aqueous solutions: application to urinary metabolites
Author(s) -
Munasinghe Jeeva P.,
Colebrook Lawrence D.,
Attard John J.,
Carpenter T. Adrian,
Hall Laurance D.
Publication year - 1998
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/(sici)1097-458x(199802)36:2<116::aid-omr236>3.0.co;2-r
Subject(s) - chemistry , aqueous solution , relaxation (psychology) , thermodynamics , spin–lattice relaxation , proton , computational chemistry , psychology , social psychology , physics , quantum mechanics
Proton spin–lattice relaxation rate constants ( T 1 values) of some selected urinary metabolites were analysed extensively by two different least‐squares minimization procedures, based on the simplex and the Marquardt–Levenberg algorithms. Comparative multiplicate analysis under different experimental conditions using laboratory solutions of some of the urinary metabolites was employed in addition to direct measurements on human urine samples. The T 1 values estimated for most of the metabolites by the two methods agreed to within 10–15%. © 1998 John Wiley & Sons, Ltd.