Tag Archives: residual dipolar couplings

PhD Thesis: Development and application of modern pure shift NMR techniques and improved HSQC and HSQMBC experiments

Last 16st July 2015 I defended my PhD Thesis entitled: Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments.

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The present doctoral thesis is framed within the Nuclear Magnetic Resonance (NMR) spectroscopy field, more specifically in the design of modern NMR methodologies. The research work carried out is focused on the design and application of new and modern NMR methodologies (i) to perform efficient broadband 1H homodecoupling in 1D/2D NMR experiments and (ii) to accurately determine homo- and heteronuclear coupling constants in isotropic and anisotropic conditions through improved HSQC and HSQMBC-type experiments. The thesis is presented as a compendium ten (10) publications that have been published in several peer-reviewed international scientific journals as original research papers. Continue reading PhD Thesis: Development and application of modern pure shift NMR techniques and improved HSQC and HSQMBC experiments

PhD Thesis by Laura Castañar: Pulse Programs and Data Set Examples

Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments

Presentación1

In the following links one can find Data Set Examples of each Publication presented in the Thesis Work, as well as the corresponding Pulse Program Code for Bruker. All 2D spectra have been previously phased and 2ii, 2ir, and 2ri files removed, otherwise data sets would be too big. Continue reading PhD Thesis by Laura Castañar: Pulse Programs and Data Set Examples

Easy measurement of one-bond proton-carbon and geminal proton-proton coupling constants in diastereotopic methylene groups

Straightforward measurement of individual 1J(CH) and 2J(HH) in diastereotopic CH2 groups” by Josep Saurí, Laura CastañarPau Nolis, Albert Virgili and Teodor ParellaJournal of Magnetic Resonance 242 (2014) 33–40DOI: 10.1016/j.jmr.2014.02.003

The C-HA cross-peak corresponding to a diastereotopic CHAHB methylene spin system exhibits a characteristic 1:0:1 multiplet pattern along the indirect dimension of a ω1-coupled HSQC spectrum. Continue reading Easy measurement of one-bond proton-carbon and geminal proton-proton coupling constants in diastereotopic methylene groups