Monthly Archives: May 2011

Structural study of γ,γ-peptides

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“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

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“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

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“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

Methods & Applications, Our Publications, ,

“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 →

New NMR Books (2)

NMR Bibliography

New NMR Books (2)

Product DetailsProduct DetailsProduct DetailsProduct Details

NMR Studies of Translational Motion: Principles and Applications – Hardcover, Cambridge University Press (August 31, 2009) by W.S. Price

Ligand-macromolecular Interactions in Drug Discovery: Methods and Protocols – Hardcover, Humana Press (March 23, 2010) by A.C.A. Roque

Practical Small Animal MRI – Hardcover, Wiley-Blackwell; 1 edition (July 21, 2009) by P.R. Gavin

Modelling 1H NMR Spectra of Organic Compounds: Theory, Applications and NMR Prediction Software – Hardcover, Wiley (December 23, 2008) by R. Abraham

Classification of multiple sclerosis clinical forms by 1-H magnetic ressonance spectroscopy of cerebrospinal fluid

Our Publications,

Fuzzy Sets and Systems journal “Decision tree based fuzzy classifier of 1-H magnetic resonance spectra from cerebrospinal fluid samples ”, Francesc Xavier Aymerich, Juli Alonso, Miquel E. Cabañas, M. Comabella, P. Sobrevilla, Alex Rovira; Fuzzy Sets and Systems 170, 43-63 (2011). DOI: 10.1016/j.fss.2011.01.003

This paper presents a method for classifying cerebrospinal fluid (CSF) samples studied by proton magnetic resonance spectroscopy (1-H MRS) into clinical subgroups by means of a fuzzy classifier. The method focuses on the analysis of a low signal-to-noise region of the spectra and is designed to use a small number of samples because sampling can only be done through an invasive technique. Continue reading Classification of multiple sclerosis clinical forms by 1-H magnetic ressonance spectroscopy of cerebrospinal fluid →

Conference: Metabolomics

News from the SeRMN, NMR Events & Courses,

Dr Toby Athersuch will be giving a talk on May the 20th at 12:00 h in the Sala de Graus 2, Facultat de Ciències i Biociències, Campus UAB. His talk is entitled “Adventures in metabolic hyperspace: an overview of metabonomic approaches and applications”. (Conference announcement: Conferència Toby – SeRMN)

Toby AthersuchDr Toby Athersuch is a Lecturer in Environmental Toxicology & Biomarkers in the MRC-HPA Centre for Environment & Health (Imperial College London). His appointment is jointly held between Biomolecular Medicine in the Department of Surgery & Cancer, and The Department of Epidemiology & Biostatistics in the School of Public Health. His research is primarily focused on the development and application of state-of-the-art analytical techniques such as high-resolution nuclear magnetic resonance (NMR) spectroscopic and mass spectrometric (MS) methods to the study of molecular mechanisms of human disease processes.  The application of metabolic profiling and other integrated post-genomic profiling technologies to answering epidemiological questions using various study designs is a rapidly expanding field of research, and requires the development of profiling techniques to underpin the required individual-level analyses. (See more: Short Bio – Toby Athersuch )

All interested individuals are welcome to attend this session.