title: Processing strategies to obtain clean interleaved ultrafast 2D NMR spectra.
abstract: Ultrafast (UF) 2D NMR enables the acquisition of 2D spectra in a single-scan. In spite of its promising potential, the accessible spectral width is highly limited by the maximum gradient amplitude, which limits the general applicability of the method. A number of solutions have been recently described to deal with this limitation, among which stands the possibility to record several interleaved scans. However, this alternative acquisition scheme leads to numerous ghost peaks characteristic of interleaved acquisitions. These artefacts highly affect the readability of 2D spectra for structural elucidation, as well as their quantitative performance. Here, we propose several pre-FT or post-FT processing corrections to clean artefacts from interleaved ultrafast NMR spectra. Their performances are compared, and their potentialities are illustrated in a small organic molecule context. Post-FT processing corrections such as ArSub (Artefact Subtraction) or symmetrisation appear to be the most efficient ones in terms of artefact removal. While not purely single-scan, these strategies open new perspectives towards the routine use of UF 2D NMR for structural or quantitative analysis.
authors: Université de Nantes, CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, B.P. 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France.
authors: Laetitia
authors: L
authors: Rouger
authors: Université de Nantes, CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, B.P. 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France.
authors: Benoît
authors: B
authors: Charrier
authors: Université de Nantes, CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, B.P. 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France.
authors: Meerakhan
authors: M
authors: Pathan
authors: Université de Nantes, CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, B.P. 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France.
authors: Serge
authors: S
authors: Akoka
authors: Université de Nantes, CNRS, Chimie et Interdisciplinarité: Synthèse, Analyse, Modélisation (CEISAM), UMR 6230, B.P. 92208, 2 rue de la Houssinière, F-44322 Nantes Cedex 03, France. Electronic address: patrick.giraudeau@univ-nantes.fr.
authors: Patrick
authors: P
authors: Giraudeau
mesh_terms: D000465:Algorithms; D016477:Artifacts; D004041:Dietary Fats / Q000032:analysis; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012815:Signal Processing, Computer-Assisted
chemical_list: D004041:Dietary Fats; C052387:cocoa butter
keywords: Artefact; Interleaved; Post-FT processing correction; Pre-FT processing correction; Symmetrisation; Ultrafast 2D NMR