Category Archives: Our Publications

These are the scientific articles published by SeRMN personnel. Posts may contain a short description of the research work objective and relevance, in addition to the abstract of the article, the bibliographic reference, and the article DOI if available.

Drought enhances folivory by shifting foliar metabolomes in Quercus ilex trees

2014-02-27Our Publications, Our Researchecology, LC, metabolomics, Methods&Applications, nmrAlbert Gargallo

“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 →

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

2014-02-21Methods & Applications, Our Publications, Our ResearchE.COSY, inverse INEPT, methylene spin systems, one-bond proton-carbon coupling constants, residual dipolar couplings, two-bonds proton-proton coupling constantsJosep

“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-H_A cross-peak corresponding to a diastereotopic CH_AH_B 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 →

Stroke Therapy in Mice

2013-12-17Methods & Applications, Our Publicationsanimal-model, ischemia, MRI, stroke, therapySilvia

“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 →

Structural evolution upon decomposition of the LiAlH₄+LiBH₄ system

2013-12-11Our Publications11B-NMR, 27Al-NMR, 7Li-NMR, borohydrides, hydrogen-Storage, solid-state nmrPau

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 →

Implementing homo- and heterodecoupling in region-selective HSQMBC experiments

2013-12-04Methods & Applications, Our Publications, Our Researchband-selective, HOBS, homonuclear decoupling, HSQMBC, IPAP, proton-carbon coupling constants, pure-shift NMR, resolution enhancement, sensitivity enhancementLaura

“Implementing homo- and heterodecoupling in region-selective HSQMBC experiments” by Laura Castañar, Josep Sauri, Pau Nolis, Albert Virgili and Teodor Parella. Journal of Magnetic Resonance 238 (2014) 63-69.

DOI: 10.1016/j.jmr.2013.10.022

A NMR method to enhance the sensitivity and resolution in band-selective long-range heteronuclear correlation spectra is proposed. The excellent in-phase nature of the selHSQMBC experiment allows that homonuclear and/or heteronuclear decoupling can be achieved in the detected dimension of a 2D multiple-bond correlation map, obtaining simplified cross-peaks without their characteristic fine J multiplet structure. The experimental result is a resolution improvement while the highest sensitivity is also achieved. Specifically, it is shown that the 1H-homodecoupled band-selective (HOBS) HSQMBC experiment represents a new way to measure heteronuclear coupling constants from the simplified in-phase doublets generated along the detected dimension.

Pulse Programs Code for Bruker:

Data set Example:

Cyclosporine

References:

“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: https://dx.doi.org/10.1002/chem.201303235

Enantiodifferentiation through 13C NMR Spectroscopy and CSAs

2013-11-19Methods & Applications, Our Publications, Our Research13C-NMR, chirality, enantiodifferentiation, metabolomicsMiriam

“¹³C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents” Míriam Pérez-Trujillo, Eva Monteagudo and Teodor Parella. Analytical Chemistry, 2013, 85 (22), pp 10887–10894. DOI: 10.1021/ac402580j

The utility of ¹³C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents (CSA) is stated. Three examples involving the enantiodifferentiation of a drug, a metabolite and a reactant in aqueous and organic solutions have been chosen to show it. Continue reading Enantiodifferentiation through 13C NMR Spectroscopy and CSAs →

Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments

2013-11-13Methods & Applications, Our Publications, Our Researchband-selective, enhanced resolution, full sensitivity, HOBS, HOBS-HSQC, HOBS-TOCSY, homodecoupling, homonuclear decoupling, HSQC, multiple frequency pulses, proton-carbon coupling constants, pure-shift NMR, sensitivity enhancement, TOCSYLaura

“Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments” by Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Chem. Eur. J. 2013, 19, 17283-17286.

DOI: 10.1002/chem.201303235

A NMR pulse scheme that provides full sensitivity in homodecouped band-selective NMR experiments is proposed. Continue reading Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments →

Simultaneous multi-slice excitation in Spatially encoded NMR experiments

2013-10-14Methods & Applications, Our Publications, Our Researchmulti-slice selection, multiple frequency pulses, pure-shift NMR, spatial encodingTeo

“Simultaneous multi-slice excitation in Spatially encoded NMR experiments” by Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Chem. Eur. J. 2013, 19, 15472–1547. DOI: 10.1002/chem.201303272

A novel strategy to enhance the experimental sensitivity in spatially encoded NMR experiments has been developed. Continue reading Simultaneous multi-slice excitation in Spatially encoded NMR experiments →

Efficient and fast sign-sensitive determination of heteronuclear coupling constants

2013-10-02Methods & Applications, Our Publications, Our Researchheteronulear coupling constants, HSQMBC-TOCSY, IPAP, sign of coupling constantsJosep

“Efﬁcient and fast sign-sensitive determination of heteronuclear coupling constants” by Josep Saurí, Pau Nolis and Teodor Parella. Journal of Magnetic Resonance 236 (2013) 66–69. DOI: https://dx.doi.org/10.1016/j.jmr.2013.08.013

Two complementary 1D NMR approaches for the fast and easy determination of the magnitude and the sign of heteronuclear J(XH) coupling constants are proposed:The Up&Down technique relies on the direct analysis of anti-phase multiplets whereas the Left&Right technique is based on the relative displacement between separate IPAP components.

Continue reading →

Free sugars quantification in intact plant tissue by HR-MAS NMR.

2013-07-24Methods & Applications, Our Publicationsfood-science, HRMAS, method-comparison, quantitative nmr, sugar-contentMiquel

“Assessment of a 1H high-resolution magic angle spinning NMR spectroscopy procedure for free sugars quantification in intact plant tissue” Teresa Delgado-Goñi, Sonia Campo, Juana Martín-Sitjar, Miquel E. Cabañas, Blanca San Segundo, Carles Arús; Planta, 238:397-413, 2013 (PDF file). DOI: 10.1007/s00425-013-1924-y

In most plants, sucrose is the primary product of photosynthesis, the transport form of assimilated carbon, and also one of the main factors determining sweetness in fresh fruits. Traditional methods for sugar quantification (mainly sucrose, glucose and fructose) require obtaining crude plant extracts, which sometimes involve substantial sample manipulation, making the process time-consuming and increasing the risk of sample degradation. Here, we describe and validate a fast method to determine sugar content in intact plant tissue by using high-resolution magic angle spinning nuclear magnetic resonance spectroscopy (HR-MAS NMR). Continue reading Free sugars quantification in intact plant tissue by HR-MAS NMR. →

SeRMN – NMR Service at UAB

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