Seminario impartido por la Dr. Laura Castañar, de la Universidad Complutense de Madrid

Knowing the structure and behavior of molecules is crucial for understanding the world around us and for the development of new chemical products, drugs and materials. As our knowledge grows about how Nature works, the species under study steadily increase in size and complexity, making their analysis more and more difficult. Life and physical scientist fight a continual battle to extract the maximum information from them, pushing current analytical methods to their limits. Often, the complexity of the system is such that it is very difficult, if not impossible, to get access to the required information in an efficient way. In principle, NMR spectroscopy ought to be able to meet this need, being one of the most powerful and versatile techniques for studying the conformation, configuration and behavior of molecules in solution. However, conventional methods struggle to extract simple and clear information from the most challenging systems. New tools are urgently needed to allow us to address a wider range of problems, and to reduce the time and effort needed to extract valuable chemical and biological information. In this seminar, several novel NMR approaches to tackle one of the most difficult challenges encountered in the analysis of complex systems, spectral complexity, will be shown. The methods proposed use one or more of the following approaches to facilitate the extraction of key structural information: factorization of complex 1H NMR spectra into simplified subspectra for individual spin systems by homonuclear[1-3] or heteronuclear[4,5] spectral editing, virtual separation of components according to their different relaxation[6,7] or diffusion[8] behaviour, spectral simplification by combining previous approaches with pure shift NMR spectroscopy,[7-11] where the typical 1H multiplicity is suppressed providing ultrahigh resolution spectra. Those novel NMR methods allows accessing to chemical and biological information currently made inaccessible by spectral complexity, impacting a broad range of research fields such as chemistry, biology, metabolomics, drug discovery, quality control, toxicology, and food science, among others.

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