Implementing homo- and heterodecoupling in region-selective HSQMBC experiments

2013-12-04Methods & Applications, Our Publications, Our Researchband-selective, HOBS, homonuclear decoupling, HSQMBC, IPAP, proton-carbon coupling constants, pure-shift NMR, resolution enhancement, sensitivity enhancementLaura

“Implementing homo- and heterodecoupling in region-selective HSQMBC experiments” by Laura Castañar, Josep Sauri, Pau Nolis, Albert Virgili and Teodor Parella. Journal of Magnetic Resonance 238 (2014) 63-69.

DOI: 10.1016/j.jmr.2013.10.022

A NMR method to enhance the sensitivity and resolution in band-selective long-range heteronuclear correlation spectra is proposed. The excellent in-phase nature of the selHSQMBC experiment allows that homonuclear and/or heteronuclear decoupling can be achieved in the detected dimension of a 2D multiple-bond correlation map, obtaining simplified cross-peaks without their characteristic fine J multiplet structure. The experimental result is a resolution improvement while the highest sensitivity is also achieved. Specifically, it is shown that the 1H-homodecoupled band-selective (HOBS) HSQMBC experiment represents a new way to measure heteronuclear coupling constants from the simplified in-phase doublets generated along the detected dimension.

Pulse Programs Code for Bruker:

Data set Example:

Cyclosporine

References:

“Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments” by L. Castañar, P. Nolis, A. Virgili and T. Parella. Chem. Eur. J. 2013, 19, 17283-17286. DOI: https://dx.doi.org/10.1002/chem.201303235

Enantiodifferentiation through 13C NMR Spectroscopy and CSAs

2013-11-19Methods & Applications, Our Publications, Our Research13C-NMR, chirality, enantiodifferentiation, metabolomicsMiriam

“¹³C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents” Míriam Pérez-Trujillo, Eva Monteagudo and Teodor Parella. Analytical Chemistry, 2013, 85 (22), pp 10887–10894. DOI: 10.1021/ac402580j

The utility of ¹³C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents (CSA) is stated. Three examples involving the enantiodifferentiation of a drug, a metabolite and a reactant in aqueous and organic solutions have been chosen to show it. Continue reading Enantiodifferentiation through 13C NMR Spectroscopy and CSAs →

Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments

2013-11-13Methods & Applications, Our Publications, Our Researchband-selective, enhanced resolution, full sensitivity, HOBS, HOBS-HSQC, HOBS-TOCSY, homodecoupling, homonuclear decoupling, HSQC, multiple frequency pulses, proton-carbon coupling constants, pure-shift NMR, sensitivity enhancement, TOCSYLaura

“Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments” by Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Chem. Eur. J. 2013, 19, 17283-17286.

DOI: 10.1002/chem.201303235

A NMR pulse scheme that provides full sensitivity in homodecouped band-selective NMR experiments is proposed. Continue reading Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments →

Simultaneous multi-slice excitation in Spatially encoded NMR experiments

2013-10-14Methods & Applications, Our Publications, Our Researchmulti-slice selection, multiple frequency pulses, pure-shift NMR, spatial encodingTeo

“Simultaneous multi-slice excitation in Spatially encoded NMR experiments” by Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Chem. Eur. J. 2013, 19, 15472–1547. DOI: 10.1002/chem.201303272

A novel strategy to enhance the experimental sensitivity in spatially encoded NMR experiments has been developed. Continue reading Simultaneous multi-slice excitation in Spatially encoded NMR experiments →

Josep Saurí wins Best Poster Award at SMASH 2013

2013-10-14News from the SeRMNMiquel

Josep Saurí wins the Best Poster Award at the Small Molecule NMR Conference (SMASH) held in Santiago de Compostela, Spain, on 22nd – 25th September, 2013. Continue reading Josep Saurí wins Best Poster Award at SMASH 2013 →

Efficient and fast sign-sensitive determination of heteronuclear coupling constants

2013-10-02Methods & Applications, Our Publications, Our Researchheteronulear coupling constants, HSQMBC-TOCSY, IPAP, sign of coupling constantsJosep

“Efﬁcient and fast sign-sensitive determination of heteronuclear coupling constants” by Josep Saurí, Pau Nolis and Teodor Parella. Journal of Magnetic Resonance 236 (2013) 66–69. DOI: https://dx.doi.org/10.1016/j.jmr.2013.08.013

Two complementary 1D NMR approaches for the fast and easy determination of the magnitude and the sign of heteronuclear J(XH) coupling constants are proposed:The Up&Down technique relies on the direct analysis of anti-phase multiplets whereas the Left&Right technique is based on the relative displacement between separate IPAP components.

Continue reading →

Presentations at the SMASH NMR Conference 2013

2013-09-13News from the SeRMN, NMR Events & Courses, Our Researchmulti-slice selection, multiple frequency pulses, pure-shift NMR, selective-excitation, spatial encoded nmrLaura

Next week several SeRMN members will present our research work at the SMASH NMR Conference 2013 that will take place in Santiago de Compostela (Spain) from 22^nd to 25^th September. Find below a summary of our contributions. Continue reading Presentations at the SMASH NMR Conference 2013 →

Simultaneous multi-slice excitation in spatially encoded NMR experiments

2013-08-29Our Research, SeminarsHSQMBC, multi-slice selection, multiple frequency pulses, pure-shift NMR, spatial encodingLaura

SeRMN seminar

Date: Thursday 5th September, 2013
Hour: 10 am
Location: SeRMN, Facultats de Ciències i Biociències, C2/-135
Speaker: Laura Castañar, SeRMN PhD Student & Teaching Assistant, Dept. of Chemistry.

Continue reading Simultaneous multi-slice excitation in spatially encoded NMR experiments →

Poster presentation at 4th International DNP Symposium

2013-08-27NMR Events & Courses, Our Researchchirality, DNP, hyperpolarizationEva

logo_DNP_symposium

Find below an abstract of SeRMN contribution at 4th International DNP Symposium that will be held August 28-31, 2013, in Copenhagen (Denmak).

Enantiodiscrimination Studies by 13C DNP-NMR Spectroscopy

The determination of enantiomeric purity of drugs and/or endogenous molecules is crucial since its chirality could determine its pharmacological or biological behavior [1]. Many analytical techniques are available to determine the enantiomeric excess (ee) such as, circular dichroism, capillary electrophoresis, chromatographic techniques with chiral stationary phases, etc.; having each of them drawbacks and advantages [2]. Nuclear magnetic resonance (NMR) using a chiral solvating agent (CSA) as chiral auxiliary is an easy, fast and very powerful analytical tool that allows the measurement of ee by simple signal integration [3]. Continue reading Poster presentation at 4th International DNP Symposium →

Available predoctoral fellowship (4 years) in NMR METHODOLOGY

2013-08-24News from the SeRMNbeca predoctoral, beca rmn, ctq2012-32436, fellowships, grant, minister, nmr, nmr metholodogy, thesisTeo

The Spanish Ministry of Economy and Competitiveness (MINECO) has open the call for FPI-funded PhD thesis. At the time, applications are welcome for an FPI (Formación de Personal Investigador)-funded PhD thesis (4 years) associated to the project “NUEVOS MÉTODOS EN RESONANCIA MAGNÉTICA NUCLEAR (IV)” (Novel methodologies in Nuclear Magnetic Resonance (IV) – ref: CTQ2012-32436) at the SeRMN in the Universitat Autònoma of Barcelona (UAB). FPI fellowships are granted by the Spanish Ministry of Economy and Competitiveness.

The call for applications begins August 26th, 2013, and the deadline for submission of applications is September 10th, 2013 at 15:00. All information relating to the call for applications can be found the at Minister’s web page or contact to for further details or questions.

SeRMN – NMR Service at UAB

Research & development, training, and facility management