Category Archives: Our Research

These are short reports about the research activities carried out at the SeRMN.
In them we describe the work done in collaboration with research groups, to summarize communications presented at scientific meetings, to report visits and stages at other laboratories or facilities, and to comment the meetings and workshops we have attended.

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 →

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 →

On the interference of J_HH modulation in HSQMBC-IPAP and HMBC-IPAP experiments

2013-07-15Methods & Applications, Our Publications, Our ResearchHMBC, HSQMBC, IPAP, proton-carbon coupling constantsJosep

“On the interference of J(HH) modulation in HSQMBC-IPAP and HMBC-IPAP experiments”, by Josep Saurí and Teodor Parella; Magn. Reson. Chem. 2013. DOI: 10.1002/mrc.3977

The effects of phase signal modulation due to homonuclear proton–proton coupling constants in HSQMBC-IPAP and HMBC-IPAP experiments are experimentally evaluated. An assessment of the reliability ofⁿJ_CH measurement from distorted cross-peaks obtained in IPAP versions of HMBC and HSQMBC experiments is presented. Continue reading On the interference of J_HH modulation in HSQMBC-IPAP and HMBC-IPAP experiments →

Presentations to the EUROMAR 2013 Conference

2013-06-20News from the SeRMN, NMR Events & Courses, Our ResearchLaura

In a few days several SeRMN members will present our research work at the annual meeting of the European magnetic resonance community EUROMAR 2013 Conference that will take place in Hersonissos, Crete (Greece) from 30^th June to 5^th July. Find below a summary of our contributions. Continue reading Presentations to the EUROMAR 2013 Conference →

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