Last 16st July 2015 I defended my PhD Thesis entitled: Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments.
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
Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments
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
“Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments” by Laura Castañar and Teodor Parella. Annual Reports on NMR Spectroscopy, 2015, 84:163–232. DOI: 10.1016/bs.arnmr.2014.10.004
A general description of the latest developments in heteronuclear single-quantum correlation and heteronuclear single-quantum multiple bond correlation experiments designed for small molecules at the natural isotopic abundance is reported. Continue reading Review: Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments
“Pure In-Phase Heteronuclear Correlation NMR Experiments ” by Laura Castañar, Josep Sauri, Robert Thomas Williamson, Albert Virgili and Teodor Parella. Angew. Chem. Int. Ed. 2014, 53, 8379-8382. DOI: 10.1002/anie.201404136
A general NMR approach to provide pure in-phase (PIP) multiplets in heteronuclear correlation experiments is described. The implementation of a z-filter efficiently suppresses any unwanted anti-phase contributions that usually distort the multiplet pattern of cross-peaks and can make their analysis difficult. Continue reading Pure In-Phase Heteronuclear Correlation NMR Experiments