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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
“Unusual Oxidation Behavior of Light Metal Hydride by Tetrahydrofurane Solvent Molecules Confined in Ordered
Mesoporous Carbon” Klose, M.; Lindemann, I.; Minella, C.; Pinkert, K.; Zier, M.; Giebeler, L.; Nolis, P.; Baro, M.; Oswald, S.; Gutfleisch, O.; Ehrenberg, H.; Eckert, J. Journal Of Materials Research, 2014, 29, 55-63 DOI:10.1557/jmr.2013.199
Confining light metal hydrides in micro- or mesoporous scaffolds is considered to be a promising way to overcome the existing challenges for these materials, e.g. their application in hydrogen storage. Different techniques exist which allow us to homogeneously fill pores of a host matrix with the respective hydride, thus yielding well defined composite materials. Continue reading Confining light metal hydrides in micro- or mesoporous scaffolds
“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
CcpNmr Analysis is a graphics-based interactive NMR spectrum visualisation, resonance assignment and data analysis program developed by The Collaborative Computing Project for NMR. as part of the CcpNmr suite of programs. Continue reading CcpNmr Analysis – A useful tool for organic chemistry nmr?
“Factors Secreted by Endothelial Progenitor Cells Enhance Neurorepair Responses after Cerebral Ischemia in Mice” by Rosell, A., Morancho, A., Navarro-Sobrino, M., Martínez-Saez, E., Hernández-Guillamon, M., Lope-Piedrafita, S., Barceló, V., Borrás, F., Penalba, A., García-Bonilla, L., Montaner, J. PLoS ONE 8 (2013), e73244. DOI: 10.1371/journal.pone.0073244
Cell therapy with endothelial progenitor cells (EPCs) has emerged as a promising strategy to regenerate the brain after stroke. Continue reading Stroke Therapy in Mice
A NMR pulse scheme that provides full sensitivity in homodecouped band-selective NMR experiments is proposed. Continue reading Pure Shift NMR & HOBS Experiments
Structural evolution upon decomposition of the LiAlH4+LiBH4 system. S. Soru, A. Taras, C. Pistiddb, C. Milanese, C. Bonatto Minella, E. Masolo, P. Nolis, M. D. Baró, A. Marinic, M. Tolkiehn,M. Dornheim, S. Enzo, G. Mulas, S. Garroni. Journal of Alloys and Compounds 2014, in press. DOI: 10.1016/j.jallcom.2013.12.027
In the present work we focus the attention on the phase structural transformations occurring upon the desorption process of the LiBH4 + LiAlH4 system. Continue reading Structural evolution upon decomposition of the LiAlH4+LiBH4 system