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Développements méthodologiques pour l'analyse d'équilibres conformationnels par résonance magnétique nucléaire

Abstract : Nuclear magnetic resonance is a technique of choice for studying chemical exchange in therapeutic compounds. However, spectra acquired with standard 1D and 2D methods often show spectra with overlapping signals, which makes the assignment of each species difficult. Methodological development of a pure shift approach would therefore make it possible to improve the resolution of these data. During this thesis, we carried out a series of developments of the EXSY type experiments in which we implemented different homonuclear decoupling methods. Two approaches were tested: the PSYCHE method applied to the F1 and F2 dimensions of EXSY maps, and the Zangger-Sterk method in F2. These approaches all led to a significant resolution improvements allowing us to characterize the s-cis/ s-trans conformers in Trandolapril. We have also studied the interest of the non-uniform sampling (NUS) technique to reduce the analysis time. This approach allowed us to accelerate the experiment, but the presence of artifacts at various temperatures suggests that further developments will still be needed. These results pave the way for more analysis of the exchange process in compounds with complex NMR spectrum.
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Ghada Aloui. Développements méthodologiques pour l'analyse d'équilibres conformationnels par résonance magnétique nucléaire. Chimie analytique. Université Paris-Saclay; Université de Carthage (Tunisie), 2019. Français. ⟨NNT : 2019SACLS199⟩. ⟨tel-02504700⟩

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