A New Polarizing Agent for Dissolution-DNP

OBC_CoverIssue

“A Benzyl Alcohol Derivative of BDPA Radical for Fast Dissolution Dynamic Nuclear Polarization NMR Spectroscopy” by José Luis Muñoz Gómez, Eva Monteagudo, Vega Lloveras, Teodor Parella, Jaume Veciana and José Vidal Gancedo. Org. Biomol. Chem., 2015.

DOI: 10.1039/C4OB02356K

 

The synthesis, structural characterization and the successful application of a carbon centered radical derived from 1,3-bisdiphenylene-2-phenylallyl (BDPA), its benzyl alcohol derivative (BA-BDPA), as a polarizing agent for Dynamic Nuclear Polarization (DNP) are described. The reported BA-BDPA radical meets all the requirements to become a promising candidate for its use in in-vivo DNP-NMR experiments: it is soluble into neat [1-13C]pyruvic acid, insoluble in the dissolution transfer solvent and effective as a polarizing agent in fast dissolution DNP-NMR applications, without the need of using glassing agents. Moreover, it enables a simple but effective in-line radical filtration to obtain hyperpolarized solutions of [1-13C]pyruvic acid free of radicals, that offer a much better polarization performance.

Figura_blog_BA_BDPA

 

 

Ultra high-resolution HSQC: Application to the efficient and accurate measurement of heteronuclear coupling constants

Journal cover: Chemical Communications“Ultra high-resolution HSQC: Application to the efficient and accurate measurement of heteronuclear coupling constants” by Núria Marcó,  Andre Fredi and Teodor Parella Chemical Communications (2015)

DOI: 10.1039/C4CC10279G

A rapid NMR data acquisition strategy in terms of enhanced resolution per time unit for the simple and efficient determination of multiple coupling constants is described. The use of 13C spectral aliasing combined with broadband 1H homodecoupling allows accurate measurements from ultra high resolved 2D HSQC cross-peaks.imagen4

 

Pulse Program Code for Bruker:

SAPS-HSQC*

Data set Example:

Fluoropyridine

 

*Ref: “Simultaneous 1H and 13C NMR enantiodifferentation from highly-resolved pure shift HSQC spectra”

ANALYSIS OF SPHINGOLIPIDS AGGREGATES BY NMR

SeRMN seminar

  • Date: Thursday 22th January, 2015
  • Hour: 12 am
  • Location:  SeRMN,  Facultats de Ciències i Biociències, C2/-135
  • Speaker:  André Fredi, SeRMN PhD Student

 

The sphingosine and sphingosine-1-phosphate are sphingolipids with important functions in different organisms. The amphipathic nature of these molecules favor the formation of micelles in aqueous medium, but there are few studies on the aggregation process. Thus, this study aimed to evaluate the aggregation behavior of these two substances by means of NMR analysis in different experimental conditions.

Imagen1

Master dissertation

ANALYSIS OF SPHINGOLIPIDS AGGREGATES BY NMR

9th Workshop on Magnetic Resonance Spectroscopy and Imaging (MRI/MRS) Applied to Laboratory Animals

Dates: February 3rd to 6th, 2015

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

This course cMRIombines 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 January 19th)

See the workshop brochure for more information or contact Dra. Silvia Lope via email.

TRANSACT-ITN Scientific Workshop on “Spectra Classification and Decision-Support tools in the clinic”

Workshop on “Spectra Classification and Decision-Support tools in the clinic”
December 3-4, 2014 
Universitat Autònoma Barcelona, Spain

The TRANSACT European Project organizes a two-days scientific workshop on “Spectra Classification and Decision-Support tools in the clinic”. The workshop will be held on December 3-4, 2014 at Hotel Campus UAB which is located in the campus of Universitat Autònoma de Barcelona.

The purpose of this workshop is to introduce attendants to:

  • Pattern recognition methods for the analysis of magnetic resonance spectroscopy data.
  • Implementing classifiers based on magnetic resonance spectroscopy data into decision-support systems.
  • Design principles for successful decision-support systems.
  • Integrating evidence-based clinical decision-making into decision-support systems.

Workshop faculty: Prof. Sabine van Huffel, ESAT KU Leuven, Belgium. Dr. Diana Sima, ESAT KU Leuven, Belgium. Prof. Paulo Lisboa, Liverpool John Moores University, United Kingdom. Dr. Alfredo Vellido, Universitat Politècnica de Catalunya, Spain. Mr. Joshua Underwood, London Knowledge Lab, Institute of Education, London. Dr. Juan Miguel García-Gómez, IBIME, Universidad Politécnica de Valencia, Spain. Dr. Dionisio Acosta-Mena, University College London, United Kingdom.

Local organizers: Margarida Julià-Sapé, CIBER-BBN. Miquel Cabañas, SeRMN, UAB. Carles Arús, GABRMN, Department of Biochemistry and Molecular Biology, UAB.

Registration Fees: Attendance to the workshop requires previous on-line registration and has a registration fee of 50 € for TRANSACT-ITN non-members. Registration Fees include: workshop registration and materials, tea/coffee-breaks and lunches.

The full announcement can be found at  http://gabrmn.uab.es/transact_workshop

Banner of Transact workshop on Spectra Classification and Decision-Suport Tools in the Clinic

Lilly Research Award to Laura Castañar

Laura Castañar is top finalist to the Lilly XII Research Awards for Graduate Students. The prize is awarded to ten Spanish young scientists, three awardees and seven finalists, for their research contributions in the field of chemistry. The awards ceremony took place at Lilly Research & Development Centre in Alcobendas, Madrid, Spain, the 26th September, 2014.

Laura Castañar and Lilly representatives at Lilly XII Research Awards for Graduate Students. Laura is the first person on the left.
Laura Castañar and Lilly representatives at Lilly XII Research Awards for Graduate Students. Laura is the first person on the left.

The prize by the Lilly European Academic Contacts Committee (EUACC) is awarded for innovative research in the areas of organic chemistry, analytical chemistry and pharmacy, and it aims at fostering research and collaboration between Lilly Research Laboratories and the academic chemistry community.

Lilly XII Research Awards for Graduate Students
Finalists of the Lilly XII Research Awards for Graduate Students. Laura is the first person on the right.

Laura has been working as a Ph.D. candidate at the Department of Chemistry and SeRMN under the co-direction of Dr. Albert Virgili and Dr. Teodor Parella since Sept 2012, when she enrolled in the Department of Chemistry doctoral program at Universitat Autònoma de Barcelona with a fellowship from UAB. She is currently in her third year and expects to defend the doctoral thesis on 2015. You can read about her work on this blog.

Hyperpolarized 13C Magnetic Resonance in Acute Liver Failure Rats

2014_coverNMinBiomedReal-time assessment of 13C metabolism  reveals an early lactate increase in the brain of rats with acute liver failure” by Laia Chavarria, Jordi Romero-Giménez, Eva Monteagudo, Silvia Lope-Piedrafita, Juan Cordoba. NMR in Biomedicine 2014. DOI: 10.1002/nbm.3226

Intracranial hypertension is a severe complication of acute liver failure (ALF) secondary to brain edema. The pathogenesis of cerebral edema in ALF is not clear, but seems to be related to energy metabolism in which lactate may have an important role. The aim of this study was to follow the synthesis of brain lactate using a novel in vivo metabolic technology in a rat model of ALF. Time-resolved 13C MRS of hyperpolarized 13C1-pyruvate was used to quantitatively follow the in vivo conversion of pyruvate to its substrates in a model of devascularized ALF in rats. Rats with ALF showed a significant increase in the lactate to pyruvate ratio from 36% to 69% during the progression of liver disease relative to rats with portocaval anastomosis. Rats with ALF also showed a significant increase in the alanine to pyruvate ratio from 72% to 95%. More interestingly, these increases were detectable at very early stages, just 6 h after ALF when animals had no evident disease signs in their behavior (without loss of righting or corneal reflexes). This study shows the dynamic consequences of cerebral in vivo 13C metabolism at real time in rats with ALF. The early detection of the de novo synthesis of lactate suggests that brain lactate is involved in the physiopathology of ALF.

HyperpolarizationALFrats

Laura Castañar’s oral communication gets accessit award at GERMN 2014

Laura Castañar and Dr. Teodor Parella
Laura Castañar and Dr. Teodor Parella

Laura Castañar is honoured by JANSSEN with the accessit prize for her oral communication Enantiodifferentiation through Frequency-Selective Pure-Shift 1H NMR at the VII Biennial Meeting of the Nuclear Magnetic Resonance Group of the Spanish Royal Society of Chemistry / IV Iberian NMR Meeting / VI Ibero-American NMR Meeting (GERMN 2014) held in Alcalá de Henares, Spain, from 22nd to 24th September, 2014.

In her oral presentation “Enantiodifferentiation throgh frequency-selective pure shift 1H NMR” Laura explained that pure shift NMR experiments, by simplifying the typical JHH multiplicity pattern of 1H signals to singlets, allow an improved analysis of complex and overcrowded spectra, and that such approach can be used to determine the enantiomers molar ratio in the presence of chiral solvating agents.

Laura Castañar and Dr. Albert Virgili
Laura Castañar and Dr. Albert Virgili

Laura has been working as a Ph.D. candidate at the Department of Chemistry and SeRMN under the co-direction of Dr. Albert Virgili and Dr. Teodor Parella since Sept 2012, when she enrolled in the Department of Chemistry doctoral program at Universitat Autònoma de Barcelona with a fellowship from UAB. She is currently in her third year and expects to defend the doctoral thesis on 2015. You can read about her work on this blog.

Ex vivo method to evaluate MRI contrast agents

“A 2014_coverJnanobiotechnologynew ex vivo method to evaluate the performance of candidate MRI contrast agents: a proof-of-concept study” by Candiota AP, Acosta M, Simões RV, Delgado-Goñi T, Lope-Piedrafita S, Irure A, Marradi M, Bomati-Miguel O, Miguel-Sancho N, Abasolo I, Schwartz S Jr, Santamaria J, Penadés S, Arús C, J Nanobiotechnology 2014 12:12. DOI: 10.1186/1477-3155-12-12.

A new method has been developed for selecting MRI contrast agents with better expected in vivo performance. This method requires only a very small amount of contrast agent (e.g. 5 nmols/animal, 800 times less than the quantity necessary for in vivo administration) and allows to carry out a more rationally informed candidate selection, avoiding unnecessary in vivo and toxicology tests for the ex vivo poorly performing substances, consequently reducing animal needs, material consumption and overall costs. For validation, novel paramagnetic gadolinium-based gold nanoparticles (Gd-GNPs) as well as superparamagnetic iron oxide nanoparticles (SPIONs) were tested.

exvivoMethodCAtesting

Opposite metabolic responses of shoots and roots to drought

scireports Opposite metabolic responses of shoots and roots to drought by Albert Gargallo-Garriga, Jordi Sardans, Míriam Pérez-Trujillo, Albert Rivas-Ubach, Michal Oravec, Teodor Parella and Josep Peñuelas. Scientific reports, October 2014.

Shoots and roots are autotrophic and heterotrophic organs of plants with different physiological functions. Do they have different metabolomes? Do their metabolisms respond differently to environmental changes such as drought? We used metabolomics and elemental analyses to answer these questions.

First, we show that shoots and roots have different metabolomes and nutrient and elemental stoichiometries. Second, we shoFigure 5w that the shoot metabolome is much more variable among species and seasons than is the root metabolome. Third, we show that the metabolic response of shoots to drought contrasts with that of roots; shoots decrease their growth metabolism (lower concentrations of sugars, amino acids, nucleosides, N, P, and K), and roots increase it in a mirrored response. Shoots are metabolically deactivated during drought to reduce the consumption of water and nutrients, whereas roots are metabolically activated to enhance the uptake of water and nutrients, together buffering the effects of drought, at least at the short term.