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J Magn Reson ; 168(2): 278-83, 2004 Jun.
Article in English | MEDLINE | ID: mdl-15140438

ABSTRACT

A series of mathematical functions has been used to fit the proton free-induction decays (FIDs) of concentrated carbohydrate-water samples. For the solid protons, these functions included a sinc function, as well as the Fourier transforms of single and multiple Pake functions multiplied by a Gaussian broadening. The NMR signal from the mobile protons is described by an exponential function. It is found that in most cases the sinc function gives a satisfactory result and provides valuable information about the second moment M(2) and the ratio of solid to mobile protons (f(s) / f(m)). A good indication for using the sinc function is the presence of a beat in the FID. For high temperatures this approach breaks down, and a biexponential fit is more appropriate. If a clear dipolar splitting is observable in the NMR spectra, the Pake function (or a multiple Pake fit) should be used. In this case information about M(2) and f(s) / f(m) can also be obtained.


Subject(s)
Algorithms , Carbohydrates/chemistry , Magnetic Resonance Spectroscopy/methods , Models, Molecular , Oscillometry/methods , Water/chemistry , Carbohydrates/analysis , Computers , Fourier Analysis , Glucose/analysis , Glucose/chemistry , Macromolecular Substances , Mannose/analysis , Mannose/chemistry , Models, Chemical , Molecular Conformation , Water/analysis
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