학술논문

Development of resolution-enhanced NMR techniques for improved small-molecules structural analysis
Document Type
Dissertation/Thesis
Source
TDX (Tesis Doctorals en Xarxa)
Subject
Ressonància magnètica nuclear
Resonanca magnetica nuclear
Nuclear magnetic resonance
Expectroscopia anisotròpica
Espectroscopia anisotrópica
Anisotropic spectroscopy
Millores de ressolució
Mejoras de resolución
Resolution enhancement
Ciències Experimentals
Language
English
Abstract
The present doctoral thesis is focused on the study of resolution-enhanced techniques for Nuclear Magnetic Resonance (NMR) spectroscopy in order to achieve a simpler and more precise structural elucidation of small molecules. The work has been presented as a compendium of seven publications written in several prestigious scientific journals. The publications develop in depth the application of resolution improvements for i) a precise and efficient measurement of homo- and heteronuclear coupling constants and ii) an optimization of anisotropic parameter measurements through weakly aligned means. These two topics are developed by: 1. The practical implementation of modern NMR techniques to improve the digital and signal resolution of 2D experiments without compromising the experimental time. 2. The design of improved pulse sequences to achieve the measurement of longer- range heteronuclear connectivities. 3. Implementation of novel NMR approaches to study samples in anisotropic environments, as well as the design of new pulse sequences adapted to the experimental measurement of NMR parameters in these media. 4. Evaluation of new NMR strategies for efficient structure discrimination using anisotropic NMR parameters. 5. Application of protocols for the easy automatization and measurement of coupling constants in isotropic and anisotropic media.