title: Pulsed Field Gradient NMR with Sigmoid Shape Gradient Sampling To Produce More Detailed Diffusion Ordered Spectroscopy Maps of Real Complex Mixtures: Examples with Medicine Analysis.
abstract: NMR diffusion measurements are based on signal attenuation. In the case of complex mixtures for which some molecules are diffusing quickly while others are significantly slower, it is challenging to obtain a diffusion ordered spectroscopy (DOSY)-type 2D map giving reliable information on all molecules. In this paper, we propose a new gradient sampling approach based on a sigmoid shape allowing the acquisition of a significant number of points for both the fast and slow diffusing molecules. We applied this new gradient sampling strategy to deformulate two medicines whose composition was known (Esomeprazole) or unknown (Mebendazole). PFG NMR associated with a sigmoid gradient ramp is an exciting strategy to study drugs as a whole, i.e., the active ingredient(s) and excipients.
authors.affiliation: Groupe de RMN Biomédicale, Laboratoire de Synthèse et Physicochimie de Molécules d'Intérêt Biologique UMR CNRS 5068, Université de Toulouse , 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
authors.forename: Guilhem
authors.initials: G
authors.lastname: Pagès
authors.affiliation: Groupe de RMN Biomédicale, Laboratoire de Synthèse et Physicochimie de Molécules d'Intérêt Biologique UMR CNRS 5068, Université de Toulouse , 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
authors.forename: Alice
authors.initials: A
authors.lastname: Bonny
authors.affiliation: Groupe de RMN Biomédicale, Laboratoire de Synthèse et Physicochimie de Molécules d'Intérêt Biologique UMR CNRS 5068, Université de Toulouse , 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
authors.forename: Véronique
authors.initials: V
authors.lastname: Gilard
authors.affiliation: Groupe de RMN Biomédicale, Laboratoire de Synthèse et Physicochimie de Molécules d'Intérêt Biologique UMR CNRS 5068, Université de Toulouse , 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
authors.forename: Myriam
authors.initials: M
authors.lastname: Malet-Martino
mesh_terms: D045424:Complex Mixtures; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D013057:Spectrum Analysis / Q000379:methods*
chemical_list: D045424:Complex Mixtures