title: PALMA, an improved algorithm for DOSY signal processing.
abstract: NMR is a tool of choice for the measurement of diffusion coefficients of species in solution. The DOSY experiment, a 2D implementation of this measurement, has been proven to be particularly useful for the study of complex mixtures, molecular interactions, polymers, etc. However, DOSY data analysis requires to resort to the 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 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 where users can have their datasets processed automatically.
authors.affiliation: Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), INSERM U596, CNRS UMR 7104, Université de Strasbourg, 67404 Illkirch-Graffenstaden, France. madelsuc@unistra.fr and Université Paris-Est, LIGM (UMR 8049), CNRS, ENPC, ESIEE Paris, UPEM, Marne-la-Vallée, France.
authors.forename: Afef
authors.initials: A
authors.lastname: Cherni
authors.affiliation: Université Paris-Est, LIGM (UMR 8049), CNRS, ENPC, ESIEE Paris, UPEM, Marne-la-Vallée, France and Center for Visual Computing, CentraleSupélec and GALEN group, INRIA, Paris-Saclay, Châtenay-Malabry, France.
authors.forename: Emilie
authors.initials: E
authors.lastname: Chouzenoux
authors.affiliation: Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC), INSERM U596, CNRS UMR 7104, Université de Strasbourg, 67404 Illkirch-Graffenstaden, France. madelsuc@unistra.fr.
authors.forename: Marc-André
authors.identifier: http://orcid.org/0000-0002-1400-5326
authors.initials: MA
authors.lastname: Delsuc