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In a few days several SeRMN members will present our research work at the annual meeting of the European magnetic resonance community EUROMAR 2014 Conference that will take place in Zurich (Switzerland) from 29th June to 3th July. Find below a summary of our contributions. Continue reading Presentations at the EUROMAR 2014 Conference
Last 21st May 2014 I defended my PhD Thesis entitled: Modern NMR Methodologies for the Measurement of Homo- and Heteronuclear Coupling Constants in Small Molecules
The dissertation is focused on the development of modern NMR methodologies for the measurement of homo- and heteronuclear coupling constants in small molecules, and is presented as a compendium of eight (8) publications that have been published in several peer-reviewed journals as original research papers. Continue reading PhD Thesis: Modern NMR Methodologies for the Measurement of Homo- and Heteronuclear Coupling Constants in Small Molecules
“Measurement of T1/T2 relaxation times in overlapped regions from homodecoupled 1H singlet signals” by Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Journal of Magnetic Resonance 244 (2014) 30-35. DOI: 10.1016/j.jmr.2014.04.003
The implementation of the HOmodecoupled Band-Selective (HOBS) technique in the conventional Inversion-Recovery and CPMG-based PROJECT experiments is described. The achievement of fully homodecoupled signals allows the distinction of overlapped 1H resonances with small chemical shift differences. It is shown that the corresponding T1 and T2 relaxation times can be individually measured from the resulting singlet lines using conventional exponential curve-fitting methods. Continue reading HOBS experiments to measure T1/T2 relaxation times in overlapped regions
Next week several SeRMN members will present our research work at the Joint Annual meeting ISMRM-ESMRMB 2014 that will take place in Milan (Italy) from 10th to 16th May. Find below a summary of our contributions.
Continue reading Presentations at the Joint Annual Meeting ISMRM-ESMRMB 2014
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 spectra have been previously phased and 2ii, 2ir, and 2ri files removed, otherwise data sets would be too big. Continue reading PhD Thesis by Josep Saurí: Pulse Programs and Data Set Examples
Several NMR applications using HOmodecouped Band-Selective NMR experiments [1] are proposed. The easy implementation of this HOBS scheme as a general building block into a great variety of multidimensional NMR experiments leads to pure-shift spectra with enhanced resolution and with the maximum attainable sensitivity. In this talk is presented the application of HOBS for measuring direct [1] and long-range [2] heteronuclear coupling constants. Also the use of HOBS experiments to enantiodiscrimination studies are presented [3].
Reference:
[1] “Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments” by L. Castañar, P. Nolis, A. Virgili and T. Parella. Chem. Eur. J. 2013, 19, 17283-17286. DOI: 10.1002/chem.201303235
Continue reading HOBS Applications
“Enantiodifferentiation through Frequency-Selective Pure-Shift 1H Nuclear Magnetic Resonance Spectroscopy” by Laura Castañar, Míriam Pérez-Trujillo, Pau Nolis, Eva Monteagudo, Albert Virgili and Teodor Parella. ChemPhysChem,15 (2014) 854-857.
A frequency-selective 1D 1H NMR experiment for the fast and sensitive determination of chemical shift differences between overlapped resonances is proposed. The resulting fully homodecoupled 1H resonances appear as resolved 1D singlets without their typical JHH multiplet structure. The achieved high signal dispersion is here exploited in enantiodiscrimination studies using chiral solvating agents. Continue reading Rapid and efficient enantiodifferentiation through frequency-selective pure-shift 1H NMR spectroscopy
“Drought enhances folivory by shifting foliar metabolomes in Quercus ilex trees”
Albert Rivas-Ubach, Albert Gargallo-Garriga, Jordi Sardans, Michal Oravec, Laia Mateu Castell, Míriam Pérez-Trujillo,Teodor Parella, Romà Ogaya, Otmar Urban and Josep Peñuelas. January 2014. New Phytologist DOI: 10.1111/nph.12687
Plants respond to external environmental conditions such as drought or to the seasonal changes by shifting the foliar C:N:P:K stoichiometry and metabolome. Continue reading Drought enhances folivory by shifting foliar metabolomes in Quercus ilex trees
“Straightforward measurement of individual 1J(CH) and 2J(HH) in diastereotopic CH2 groups” by Josep Saurí, Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Journal of Magnetic Resonance 242 (2014) 33–40. DOI: 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
A NMR pulse scheme that provides full sensitivity in homodecouped band-selective NMR experiments is proposed. Continue reading Pure Shift NMR & HOBS Experiments