Category Archives: NMR Bibliography

Posts about new books on nmr spectroscopy & imaging.

Special Issue: NMR-Based Metabolomics

Special Issue: NMR-Based Metabolomics, by Míriam Pérez-Trujillo* and Toby J. Athersuch*

Molecules2021, 26(11), 3283;

This article belongs to the Special Issue NMR-Based Metabolomics

Nuclear magnetic resonance (NMR) spectroscopy remains one of the core analytical platforms for metabolomics, providing complementary chemical information to others, such as mass spectrometry, and offering particular advantages in some areas of research on account of its inherent robustness, reproducibility, and phenomenal dynamic range. While routine experimental protocols for profiling and related statistical analysis pipelines have been established, they often present considerable challenges to the analyst, including spectral overlap, accurate and precise quantification, and chemical shift variation. Consequently, there is still much activity across all areas of NMR spectroscopic analysis in relation to metabolomics. Furthermore, there remain many biological systems and sample types that have not been extensively explored using NMR spectroscopy-based metabolomics.In this Special Issue, several advances in methodology, and new applications in the field of NMR-based metabolomics, have been presented. In addition, the SI includes authoritative review articles focused on the state-of-the-art of quantitative NMR spectroscopy in biomedical metabolomics applications, and novel applications in the agri-food sector.

Beneficial effects of Uric Acid Treatment After Stroke in Hypertensive Rats

Jiménez-Xarrié, Elena, Belén Pérez, Ana Paula Dantas, Lídia Puertas-Umbert, Joan Martí-Fabregas, Ángel Chamorro, Anna Maria Planas, Elisabet Vila, Francesc Jiménez-Altayó. 2018. Uric Acid Treatment After Stroke Prevents Long-Term Middle Cerebral Artery Remodelling and Attenuates Brain Damage in Spontaneously Hypertensive Rats. Translational Stroke Research. DOI: 10.1007/s12975-018-0661-8

Hypertension is the most important modifiable risk factor for stroke and is associated with poorer post-stroke outcomes. The antioxidant uric acid is protective in experimental normotensive ischaemic stroke. However, it is unknown whether this treatment exerts long-term protection in hypertension. The authors aimed to evaluate the impact of transient intraluminal middle cerebral artery (MCA) occlusion (90min)/reperfusion (1–15 days) on brain and vascular damage progression in adult and spontaneously hypertensive rats (SHR) treated with uric acid. Ischaemic brain damage was assessed longitudinally with magnetic resonance imaging at the Nuclear Magnetic Resonance Service of the Universitat Autònoma de Barcelona.

In SHR rats, more severe brain damage and poorer neurofunctional outcomes were coupled to higher cortical cerebral blood flow at the onset of reperfusion, a transient increase in oxidative stress and long-lasting stroke-induced MCA hypertrophic remodelling. Thus, stroke promotes larger brain and vascular damage in hypertensive rats that persists for long-time. Uric acid administered during early reperfusion attenuated short- and long-term brain injuries in both normotensive and hypertensive rats, an effect that was associated with abolishment of the acute oxidative stress response and prevention of stroke-induced long lasting MCA remodelling in hypertension. These results suggest that uric acid might be an effective strategy to improve stroke outcomes in hypertensive subjects.

NEW BOOK RELEASE: “Preclinical MRI methods and protocols”

García Martín, María Luisa & Pilar López Larrubia (eds.). 2018. Preclinical MRI. Methods in Molecular Biology series. Springer New York. DOI: 10.1007/978-1-4939-7531-0

This book was conceived with the idea of providing an update on a wide variety of preclinical MRI methods and protocols to help technicians and researchers interested in this technology. The basics of MRI physics are introduced, followed by chapters describing updated methodology and protocols for some standard and more advanced MRI techniques covering diffusion, perfusion, functional imaging, in-vivo spectroscopy (proton and heteronuclear), susceptibility contrast MRI… The book also contains some chapters where some applications of those methods are illustrated in animal models of several diseases including cancer, stroke and neurodegeneration. Protocols are described in a step-by-step approach, with interesting notes and tips at the end of each chapter, which -a priori- should allow the new worker to obtain successful results with the first attempt ;o) .

PhD Thesis by Albert Gargallo Garriga: Publications and Data Sets


The links below point to the research articles and Mass Spectrometry and NMR Spectroscopy raw datasets that were part of my thesis work. The last link points to my Ph.D. Thesis in pdf format.

Chapter 1

MEE“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

Chapter 4

scireportsOpposite 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 4, Article number: 6829, October 2014. DOI: 10.1038/srep06829

Chapter 5

Warming differentially influences the effects of drought on stoichiometry and metabolomics in shoots and roots” by Albert Gargallo-Garriga, Jordi Sardans, Míriam Pérez-Trujillo, Michal Oravec,Otmar Urban, Anke Jentsch, Juergen Kreyling, Carl Beierkuhnlein Teodor Parella and Josep Peñuelas. New Phytologist. March 2015. DOI: 10.1111/nph.13377

Chapter 6

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

Chapter 7

Ph.D. Thesis

Review – Pure shift NMR experiments: recent developments, methods and applications

MRC_teo copy“Broadband 1H homodecoupled NMR experiments: recent developments, methods and applications” by Laura Castañar and Teodor Parella. Magnetic Resonance in Chemistry, 2015. DOI: 10.1002/mrc.4238

In recent years, a great interest in the development of new broadband 1H homonuclear decoupled techniques providing simplified JHH multiplet patterns has emerged again in the field of small molecule NMR. The resulting highly resolved 1H NMR spectra display resonances as collapsed singlets, therefore minimizing signal overlap and expediting spectral analysis. This review aims at presenting the most recent advances in pure shift NMR spectroscopy, with a particular emphasis to the Zangger–Sterk experiment. Continue reading Review – Pure shift NMR experiments: recent developments, methods and applications

Review: Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments

annrep“Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments” by Laura Castañar and Teodor Parella. Annual Reports on NMR Spectroscopy, 2015, 84:163–232. DOI: 10.1016/bs.arnmr.2014.10.004

A general description of the latest developments in heteronuclear single-quantum correlation and heteronuclear single-quantum multiple bond correlation experiments designed for small molecules at the natural isotopic abundance is reported. Continue reading Review: Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments

New NMR Books (2)

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

New NMR Books

Product DetailsProduct DetailsProduct DetailsProduct Details

Single-Sided NMR – Hardcover (Jan. 28, 2011) by Federico Casanova, Juan Perlo and Bernhard Blümich.

Pocket Guide to Biomolecular NMR by Michaeleen Doucleff, Mary Hatcher-Skeers and Nicole J. Crane (Mar 9, 2011).

Essential Practical NMR for Organic Chemistry by Stephen Richards and John Hollerton (Feb 15, 2011)

Magnetic Resonance Microscopy: Spatially Resolved NMR Techniques and Applications by Sarah Codd and Joseph D. Seymour (Feb 4, 2009)