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.

Myo-inositol and glycine relative content may help to grade astrocytic tumours.

2012-01-16Our Publicationspattern recognitionMiquel

Cover page of the Journal Belge de Radiologie - Belgisch Tijdschrift voor Radiologie Non-Invasive grading of astrocytic tumours from the relative contents of myo-inositol and glycine measured by in vivo MRS”, Ana Paula Candiota, Carles Majós, Margarida Julià-Sapé, Miquel Cabañas, Juan José Acebes, Àngel Moreno-Torres, John R. Griffiths, Carles Arús; Journal Belge de Radiologie – Belgisch Tijdschrift voor Radiologie, 94, 319-329 (2011). DOI: 10.5334/jbr-btr.698

MRI and MRS are established methodologies for evaluating intracranial lesions. One MR spectral feature suggested for in vivo grading of astrocytic tumours is the apparent myo-Inositol (mI) intensity (ca 3.55ppm) at short echo times, although glycine (gly) may also contribute in vivo to this resonance. Continue reading Myo-inositol and glycine relative content may help to grade astrocytic tumours. →

Neurodegeneration in NPC Mice by T₂ and DTI MRI

2011-11-22Our Publications, Our Researchanimal-model, biomarkers, DTI, mapping, MRI, neurodegenerationSilvia

“In Vivo Assessment of Neurodegeneration in Niemann-Pick Type C Mice by Quantitative T2 Mapping and Diffusion Tensor Imaging”, by John W. Totenhagen, Silvia Lope-Piedrafita, Ivan A. Borbon, Eriko S. Yoshimaru, Robert P. Erickson, and Theodore P. Trouard; Journal of Magnetic Resonance Imaging 35 (2012), 528-536. doi: 10.1002/jmri.22837

NIEMANN-PICK TYPE C (NPC) disease is a rare genetic neurodegenerative disease with no cure and few effective options for treatment. Diagnosis is most often made during childhood with symptoms progressively worsening and leading to death prior to adulthood. Continue reading Neurodegeneration in NPC Mice by T₂ and DTI MRI →

Designing hybrid foldamers

2011-10-16Our Publicationsconformational-study, foldamers, hydrogen-bonds, peptides, secondary structuresPau

“Designing hybrid foldamers: The effect on the peptide conformational bias of beta- versus alpha- and gamma-linear residues in alternation with (1R,2S)-2-aminocyclobutane-1-carboxylic acid” Sergi Celis, Esther Gorrea, Pau Nolis, Ona Illa, Rosa Maria Ortuño. Organic and Biomolecular Chemistry. Volume 10, Pages 861-868, October 2011 DOI: 10.1039/C1OB06575K

Several oligomers constructed with (1R,2S)-2-aminocyclobutane-1-carboxylic acid and glycine, beta-alanine, and gamma-amino butyric acid (GABA), respectively, joined in alternation have been synthesized and studied by means of NMR and CD experiments as well as with computational calculations. Continue reading Designing hybrid foldamers →

Measurement of long-range proton-carbon coupling constants from pure in-phase 1D multiplets

2011-09-12Methods & Applications, Our Publications, Our Researchproton-carbon coupling constants, selective-excitation, SELINCORSergi

“Measurement of long-range proton-carbon constants from pure in-phase 1D multiplets”, by Juan F. Espinosa, Paloma Vidal, Teodor Parella and Sergi Gil: Magnetic Resonance in Chemistry 49, 502-507 (2011). DOI:10.1002/mrc.2782

A double-selective variant of the SELINCOR pulse sequence yields 1D proton multiplets that exhibit pure absortive in-phase lineshapes for precise measurement of specific long-range proton-carbon coupling constants in small organic molecules at natural abundance. Continue reading Measurement of long-range proton-carbon coupling constants from pure in-phase 1D multiplets →

Revisited mycolic acid pattern of Mycobacterium confluentis using thin-layer chromatography

2011-08-26Our Publicationsmycobacterium, mycolic acidsMiriam

“Revisited mycolic acid pattern of Mycobacterium confluentis using thin-layer chromatography”, by Silvia Secanella-Fandos, Marina Luquin, Míriam Pérez-Trujillo, Esther Julián; Journal of Chromatography B, Article in Press (2011). doi:10.1016/j.jchromb.2011.08.001

The profile of mycolic acids from Mycobacterium confluentis has not been adequately published. However, the definition of the composition of mycolic acids is a critical element for describing new mycobacterial species. Thus, an erroneously published profile can lead to confusing citations. Continue reading Revisited mycolic acid pattern of Mycobacterium confluentis using thin-layer chromatography →

Experimental evidence of Na₂[B₁₂H₁₂] and Na formation in the desorption pathway of the 2NaBH₄ + MgH₂ system

2011-07-18Our Publications11B-NMR, 23Na-NMR, borohydrides, hydrogen-desorption, hydrogen-Storage, solid-state nmrPau

“Experimental evidence of Na2[B12H12] and Na formation in the desorption pathway of the 2NaBH4+ MgH2 system”, by Sebastiano Garroni, Chiara Milanese, Daphiny Pottmaier, Gabriele Mulas, Pau Nolis, Alessandro Girella, Riccarda Caputo, David Olid-Britos, Francesc Teixidor, Marcello Baricco, Amedeo Marini, Santiago Suriñach, and Maria Dolores Baró. The Journal of Physical Chemistry C, Volume 115, Pages 16664-16671, July 2011. DOI: 10.1021/jp202341j

In the present work we report the desorption pathway of the 2NaBH4 + MgH2 system. Ex-situ X-ray powder diffraction (XRPD) and solid state magic angle spinning (MAS) nuclear magnetic resonance (NMR) measurements have been performed on samples heat-treated up to 450°C for different times. Ex-situ X-ray powder diffraction experiments conducted on fully desorbed samples allowed to identify nanocrystalline MgB2 and metallic Na as dehydrogenation products. Continue reading Experimental evidence of Na₂[B₁₂H₁₂] and Na formation in the desorption pathway of the 2NaBH₄ + MgH₂ system →

Structural study of γ,γ-peptides

2011-05-19Our Publicationschirality, conformational-study, hydrogen-bonds, nanometric size, peptides, secondary structures, self-assembly, vesiclesPau

“Synthesis and structural study of highly constrained hybrid cyclobutane-proline γ,γ-peptides” by R. Gutiérrez-Abad, D. Carbajo, P. Nolis, C. Acosta-Silva, J. A. Cobos, O. Illa, M. Royo and R. Ortuño. Aminoacids, Volume 41, pages 673-686, 2011. DOI: 10.1007/s00726-011-0912-4.

Two diastereomeric series of hybrid γ,γ-peptides derived from conveniently protected derivatives of (1R,2S)- and (1S,2R)-3-amino-2,2-dimethylcyclobutane-1-carboxylic acid and cis-4-amino-l-proline joined in alternation have efficiently been prepared through convergent synthesis. Continue reading Structural study of γ,γ-peptides →

Activation of the reactive hydride composite 2NaBH₄ + MgH₂

2011-05-19Our Publications11B-NMR, borohydrides, hydrogen-desorption, hydrogen-Storage, interface-diffusion, solid-state nmrPau

“Activation of the reactive hydride composite 2NaBH4 + MgH2” by C. Pistidda, G. Barkhordarian, A. Rzeszutek, S. Garroni, C. Bonatto Minella, M.D. Baró, P. Nolis, Rüdiger Bormann, T. Klassena and M. Dornhei. Scripta Materialia, Volume 64, Issue 11, June 2011, Pages 1035-1038. DOI: 10.1016/j.scriptamat.2011.02.017

A novel method to enhance the reaction kinetics of the reactive hydride composite 2NaBH4 + MgH2 is described. It has been discovered that short-term exposure to a moist atmosphere has a very beneficial effect on the desorption reaction of the 2NaBH4 + MgH2 mixture. By this procedure it is possible to achieve, after drying, both faster desorption kinetics and greater amounts of released hydrogen compared to ball-milled material without further treatment.

Trans-cyclobutane β-dipeptides form organogels

2011-05-19Our Publicationschirality, conformational-study, hydrogen-bonds, molecular modeling, organogels, peptides, self-assemblyPau

“Self-Assembly of trans-Cyclobutane-Containing β-Dipeptides into Ordered Aggregates”,by E. Gorrea, P. Nolis, E. Torres, E. Da Silva, D. Amabilino, V. Branchadell and R. Ortuño; Chemistry – A European Journal, Volume 17, Issue 16, pages 4588–4597, April 11, 2011. DOI: 10.1002/chem.201002193

Two chiral synthetic β-dipeptides have been constructed, one with two trans-cyclobutane residues and the other with one trans and one cis fragment, 1 and 2, respectively, and investigated to get insight into the non-covalent interactions responsible for their self-assembly to form ordered aggregates, as well into parameters such as their morphology and size. Continue reading Trans-cyclobutane β-dipeptides form organogels →

Fast 1D long-range proton-proton correlations

2011-05-16Methods & Applications, Our PublicationsHCH, selective-excitation, TOCSYSergi

“Selective 1D HCH experiment: a fast NMR tool that connect protons belonging to different spin systems”, by Sergi Gil, Juan Félix Espinosa and Teodor Parella; Magnetic Resonance in Chemistry 49, 301-306 (2011). DOI: 10.1002/mrc.2744

A selective 1D version of the HCH experiment (selHCH) is proposed for the efficient and fast correlation between protons belonging to different spin systems. The experiment consists of two consecutive, doubly selective heteronuclear JCH transfer steps that can individually be optimized. As any conventional proton-selective 1D experiment, the successful application of a frequency-selective 180° pulse on a well-isolated proton is the only practical requirement. Continue reading Fast 1D long-range proton-proton correlations →

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