NMR confirms cysteine labelling with SFB in peptides

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issue 1 - RSC Advances_2012.indd“Efficient cysteine labelling of peptides with N-succinimidyl 4-[18F]fluorobenzoate: stability study and in vivo biodistribution in rats by positron emission tomography ( PET)” by Santiago Rojas, Pau Nolis, Juan D. Gispert, Jan Spengler, Fernando Albericio, José R. Herance, Sergio Abad.  RSC Advances. 2013. DOI: 10.1039/C3RA40754C

A rapid and high-yielding cysteine labelling of peptides has been observed with the specific labelling agent for amines, N-succinimidyl 4-[18F]fluorobenzoate ([18F]SFB). Interestingly, NMR demonstrates that conjugation of the 4-fluorobenzoyl (FB) moiety is selectively achieved through a cysteine (Cys) thiol of the peptides with high yield (>80%) in short time (<5 min), while for a Cys amino acid derivative, a slow process has been observed. The large reactivity of these peptides for the conjugation reaction is rationalised on the basis of electrostatic interactions between the sulfhydril and the guanidinium groups of the amino acid side chains. Moreover, the stability of these novel conjugates and the biodistribution of the radiolabelled dodecapeptide by positron emission tomography (PET) in rats has been examined.

rat

J-selHSQMBC: Simultaneous measurement of J(HH) and two different nJ(CH) using IPAP, J-resolved and E.COSY principles

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cover_MRC“Simultaneous measurement of J(HH) and two different nJ(CH) coupling constants from a single multiply-edited 2D cross-peak”, by Josep Saurí and Teodor Parella; Magn. Reson. Chem. (2013). DOI: 10.1002/mrc.3960

Three different J-editing methods (IPAP, E.COSY and J-resolved) are implemented in a single NMR experiment to provide spin-state-edited 2D cross-peaks from which simultaneous measurement of different homonuclear and heteronuclear coupling constants can be performed. A new J-selHSQMBC-IPAP experiment is proposed for the independent measurement of two different nJ(CH) coupling constants along the F2 and F1 dimensions of the same 2D cross-peak. In addition, the E.COSY pattern provides additional information about the magnitude and relative sign between J(HH) and nJ(CH) coupling constants.

Graphical abstract

Pulse Program Code for Bruker: J-selHSQMBC

Metabolic responses of Quercus ilex seedlings to wounding analysed with nuclear magnetic resonance profiling

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Plant Biology“Metabolomic responses of Quercus ilex seedlings to wounding simulating herbivory” By Jordi Sardans, Albert Gargallo-Garriga, Míriam Pérez-Trujillo, Teodor Parella, Roger Seco, Iolanda Filella, Josep  Peñuelas. Plant biology. April 2013. DOI: 10.1111/plb.12032.

Plants defense themselves against herbivory at several levels. One of these levels is the synthesis of inducible chemical defenses. By using NMR metabolomic technique we studied the metabolic changes of plant leaves after a wounding treatment simulating herbivore attack in the Mediterranean sclerophyllous tree Quercus ilex. Continue reading →

New biweekly seminars

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stlenc-headsFew weeks ago I proposed my research colleagues at the NMR Service to have regular seminars about our research activities.

The proposal was enthusiastically welcomed and after some discussion we agreed on having a 20-minutes seminar every two weeks at 10am on Thursdays, and that PhD students would be giving talks more frequently than senior staff.

Continue reading →

Conformational Bias of Several Types of γ-Peptides

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EurJoc“The Role of the Chiral cis-1,3-Disubstituted 2,2-Dimethylcyclobutane Motif in the Conformational Bias of Several Types of γ-Peptides”  by Jordi Aguilera, Juan A. Cobos, Raquel Gutiérrez-Abad, Carles Acosta, Pau Nolis, Ona Illa, Rosa M. Ortuño. Eur.  J. Org. Chem. 2013 (early view). DOI: 10.1002/ejoc.201300066

Three series of new γ-peptides have been synthesized by starting from conveniently protected cis-3-amino-2,2-dimethylcyclobutane-1-carboxylic acid derivatives. The first series is constructed with only one enantiomer of this γ-amino acid, whereas in the second one both enantiomeric cyclobutane residues are joined in alternating fashion. Continue reading →

8th Workshop on Magnetic Resonance Spectroscopy and Imaging (MRI/MRS) Applied to Laboratory Animals

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Dates:  10th to 13th June 2013

Organized by the SeRMN of the Autonomous University of Barcelona (UAB).

LimbAngio_3DTOFThis workshop combines a comprehensive series of lectures on the technology of Magnetic resonance spectroscopy and imaging (MRS/MRI) with hands-on laboratory sessions to provide practical demonstrations of key concepts and procedures for preclinical studies.

Whether you are considering MRI as a research tool in your lab or just would like to learn more about MRI, this workshop addresses practical aspects of experimental MRI with laboratory animals and provide valuable hands-on experience on a 7 Tesla Bruker BioSpec spectrometer.

Number of participants will be limited to 4.

For the registration, please fill the Registration Form and email it to silvia.lope@uab.es (registration deadline ends May 27st)

See Workshop Brochure for more information or contact Dra. Silvia Lope.

 

NMR-based Protocol for Ecometabolomics

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13MEE“Ecometabolomics: Optimized NMR-based method” by Albert Rivas-Ubach, Miriam Pérez-Trujillo, Jordi Sardans, Albert Gargallo-Garriga, Teodor Parella, Josep Peñuelas. Methods in Ecology and Evolution, February 2013. DOI: 10.1111/2041-210X.12028

Metabolomics is allowing great advances in biological sciences and in particular Ecometabolomics (metabolomic approach for ecological studies). Ecometabolomics is a powerful tool that allows identifying changes in the metabolome of individuals of the same species associated to environmental changes, detecting and identifying biological markers. Continue reading →

Additives on the Ca(BH) system

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jpccck_v116i051.indd“Chemical State, Distribution and Role of Ti- and Nb-Based Additives on the Ca(BH4)2 System” by Christian Bonatto Minella, Eva Pellicer, Emma Rossinyol, Fahim Karini, Claudio Pistidda,Sebastiano Garroni, Chiara Milanese, Pau Nolis, Maria Dolors Baró, Oliver Gutfleisch, Klaus Pranzas, Andreas Schreyer, Thomas Klassen, Rüdiger Bormann and Martin Dornheim. The Journal of Physical Chemistry C. 117:4394-4403 (2013). DOI: 10.1021/jp3116275

Light metal tetrahydroborates are regarded as promising materials for solid state hydrogen storage. Due to both a high gravimetric hydrogen capacity of 11.5 wt. % and an ideal de-hydrogenation enthalpy of 32 kJ mol-1 H2, Ca(BH4)2 is considered to be one of the most interesting compounds in this class of materials. In this work, a comprehensive investigation of the effect of different selected additives (TiF4, NbF5, Ti-isopropoxide and CaF2) on the reversible hydrogenation reaction of calcium borohydride is presented combining different investigation techniques.  Continue reading →