PALMA, an improved algorithm for DOSY signal processing

Abstract : NMR is a tool of choice for the measure of diffusion coefficients of species in solution. The DOSY experiment, a 2D implementation of this measure, has proven to be particularly useful for the study of complex mixtures, molecular interactions, polymers, etc. However, DOSY data analysis requires to resort to inverse Laplace transform, in particular for polydisperse samples. This is a known difficult numerical task, for which we present here a novel approach. A new algorithm based on a splitting scheme and on the use of proximity operators is introduced. Used in conjunction with a Maximum Entropy and 1 hybrid regularisation, this algorithm converges rapidly and produces results robust against experimental noise. This method has been called PALMA. It is able to reproduce faithfully monodisperse as well as polydisperse systems, and numerous simulated and experimental examples are presented. It has been implemented on the server http://palma.labo.igbmc.fr where users can have their datasets processed automatically.
Document type :
Reports
Liste complète des métadonnées

Cited literature [36 references]  Display  Hide  Download

https://hal.archives-ouvertes.fr/hal-01421737
Contributor : Emilie Chouzenoux <>
Submitted on : Thursday, December 22, 2016 - 5:33:12 PM
Last modification on : Thursday, February 7, 2019 - 5:29:30 PM
Document(s) archivé(s) le : Monday, March 20, 2017 - 8:17:50 PM

File

1608.07055v2.pdf
Files produced by the author(s)

Identifiers

  • HAL Id : hal-01421737, version 1

Citation

Afef Cherni, Emilie Chouzenoux, M-A Delsuc. PALMA, an improved algorithm for DOSY signal processing. [Research Report] LIGM - Laboratoire d'Informatique Gaspard-Monge. 2016. ⟨hal-01421737⟩

Share

Metrics

Record views

552

Files downloads

224