All posts by Teo

Measurement of the magnitude and the sign of small nJCH on protonated and non-protonated carbons

“A definitive NMR solution for the simple and accurate measurement of the magnitude and the sign of small heteronuclear coupling constants on protonated and non-protonated carbons”, by Josep Saurí, Juan Félix Espinosa and Teodor ParellaAngew. Chem. Int. Ed. (2012) DOI: 10.1002/anie.201108959

The measurement of long-range proton carbon coupling constants in natural-abundance molecules has always been a tranding topic for the NMR community. Despite the extensive number of NMR techniques that have been developed, there are still remain two unsolved problems pertaining to non-protonated carbons, namely, a) and accurate measurement of very small coupling constants (less than 2-3 Hz) , and b) the absence of a general and robust approach to determine the sign of the coupling. Continue reading Measurement of the magnitude and the sign of small nJCH on protonated and non-protonated carbons

Fast 1D long-range proton-proton correlations

“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)

New NMR Books (2)

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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

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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)

A new way to measure small proton-carbon coupling constants

About this Journal“IPAP–HSQMBC: Measurement of long-range heteronuclear coupling constants from spin-state selective multiplets”, by Sergi Gil, Juan Félix Espinosa and Teodor ParellaJournal of Magnetic Resonance, 207, 312-321 (2010). DOI: 10.1016/j.jmr.2010.09.017

A new NMR approach is proposed for the measurement of long-range heteronuclear coupling constants (nJXH,n > 1) in natural abundance molecules. Two complementary in-phase (IP) and anti-phase (AP) data are separately recorded from a modified HSQMBC experiment and then added/subtracted to provide spin-state-selective α/β–HSQMBC spectra. Continue reading A new way to measure small proton-carbon coupling constants