Diffusion coefficient distribution from NMR-DOSY experiments using Hopfield neural network

Rita C.O. Sebastião, Carlos N. Pacheco, J. P. Braga, Dorila Piló-Veloso

Research output: Contribution to journalArticle

18 Scopus citations

Abstract

Diffusion ordered spectroscopy (DOSY) is a powerful two-dimensional NMR method to study molecular translation in various systems. The diffusion coefficients are usually retrieved, at each frequency, from a fit procedure on the experimental data, considering a unique coefficient for each molecule or mixture. However, the fit can be improved if one regards the decaying curve as a multiexponential function and the diffusion coefficient as a distribution. This work presents a computer code based on the Hopfield neural network to invert the data. One small-molecule binary mixture with close diffusion coefficients is treated with this approach, demonstrating the effectiveness of the method.

Original languageEnglish (US)
Pages (from-to)22-28
Number of pages7
JournalJournal of Magnetic Resonance
Volume182
Issue number1
DOIs
StatePublished - Sep 1 2006

All Science Journal Classification (ASJC) codes

  • Biophysics
  • Biochemistry
  • Nuclear and High Energy Physics
  • Condensed Matter Physics

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