Tag Archives: pure-shift NMR

Simultaneous 1H and 13C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra

2014-07-17Methods & Applications, Our Publications, Our Researchchirality, enantiodifferentiation, enhanced resolution, homodecoupling, homonuclear decoupling, HSQC, pure-shift NMR, spectral aliasingMiriam

“Simultaneous ¹H and ¹³C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra” by Miriam Pérez-Trujillo, Laura Castañar, Eva Monteagudo, Lars T. Kuhn, Pau Nolis, Albert Virgili, R. Thomas Williamson and Teodor Parella. Chemical Communications 50:10214-10217 (2014). DOI: 10.1039/C4CC04077E

NMR-aided discrimination of enantiomers using chiral solvating agents (CSAs) is a well established method of enantiodifferentiation and measurement of enantiomeric ratios (er). The analysis is traditionally performed by observing chemical shift differences (ΔΔδ) in ¹H signals by conventional 1D ¹H NMR spectra. However, low ΔΔδ values and signal overlap caused by complex multiplets lead to the lack of spectral signal dispersion that preclude a straightforward analysis. Continue reading Simultaneous 1H and 13C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra →

Presentations at the EUROMAR 2014 Conference

2014-06-18News from the SeRMN, NMR Events & Courses, Our Researchenantiodifferentiation, EUROMAR, heteronulear coupling constants, HOBS, homonuclear decoupling, NMR Conference, pure-shift NMRLaura

EUROMAR 2014

In a few days several SeRMN members will present our research work at the annual meeting of the European magnetic resonance community EUROMAR 2014 Conference that will take place in Zurich (Switzerland) from 29^thJune to 3^th July. Find below a summary of our contributions. Continue reading Presentations at the EUROMAR 2014 Conference →

HOBS experiments to measure T₁/T₂ relaxation times in overlapped regions

2014-05-14Methods & Applications, Our Publications, Our Research, Uncategorizedband-selective, CPMG, enhanced resolution, full sensitivity, HOBS, homodecoupling, homonuclear decoupling, Inversion Recovery, PROJECT, pure-shift NMR, Relaxation times, T1-relaxation, T2-relaxationLaura

“Measurement of T₁/T₂ relaxation times in overlapped regions from homodecoupled ¹H singlet signals” by Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Journal of Magnetic Resonance 244 (2014) 30-35. DOI: 10.1016/j.jmr.2014.04.003

The implementation of the HOmodecoupled Band-Selective (HOBS) technique in the conventional Inversion-Recovery and CPMG-based PROJECT experiments is described. The achievement of fully homodecoupled signals allows the distinction of overlapped ¹H resonances with small chemical shift differences. It is shown that the corresponding T₁ and T₂ relaxation times can be individually measured from the resulting singlet lines using conventional exponential curve-fitting methods. Continue reading HOBS experiments to measure T₁/T₂ relaxation times in overlapped regions →

HOBS Applications

2014-03-26Methods & Applications, Our Research, Seminarsenantiodifferentiation, enhanced resolution, full sensitivity, HOBS, HOBS-HSQC, HOBS-HSQMBC, HOBS-TOCSY, homodecoupling, homonuclear decoupling, proton-carbon coupling constants, pure-shift NMRLaura

SeRMN seminar

Date: Friday 28th March, 2014
Hour: 12 am
Location: SeRMN, Facultats de Ciències i Biociències, C2/-135
Speaker: Laura Castañar, SeRMN PhD Student & Teaching Assistant, Dept. of Chemistry.

Several NMR applications using HOmodecouped Band-Selective NMR experiments [1] are proposed. The easy implementation of this HOBS scheme as a general building block into a great variety of multidimensional NMR experiments leads to pure-shift spectra with enhanced resolution and with the maximum attainable sensitivity. In this talk is presented the application of HOBS for measuring direct [1] and long-range [2] heteronuclear coupling constants. Also the use of HOBS experiments to enantiodiscrimination studies are presented [3].

Reference:

[1] “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: 10.1002/chem.201303235

[2] “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,2014, 238, 63-69. DOI:10.1016/j.jmr.2013.10.022

[3] “Enantiodifferentiation through Frequency-Selective Pure-Shift 1H Nuclear Magnetic Resonance Spectroscopy” by Laura Castañar, Míriam Pérez-Trujillo, Pau Nolis, Eva Monteagudo , Albert Virgili and Teodor Parella. ChemPhysChem, 2014. DOI: 10.1002/cphc.201301130

Continue reading HOBS Applications →

Rapid and efficient enantiodifferentiation through frequency-selective pure-shift ¹H NMR spectroscopy

2014-03-06Methods & Applications, Our Publications, Our Researchband-selective, enantiodifferentiation, enhanced resolution, full sensitivity, HOBS, homodecoupling, homonuclear decoupling, pure-shift NMRLaura

“Enantiodifferentiation through Frequency-Selective Pure-Shift ¹H Nuclear Magnetic Resonance Spectroscopy” by Laura Castañar, Míriam Pérez-Trujillo, Pau Nolis, Eva Monteagudo , Albert Virgili and Teodor Parella. ChemPhysChem,15 (2014) 854-857.

DOI: 10.1002/cphc.201301130

A frequency-selective 1D ¹H NMR experiment for the fast and sensitive determination of chemical shift differences between overlapped resonances is proposed. The resulting fully homodecoupled ¹H resonances appear as resolved 1D singlets without their typical J_HH multiplet structure. The achieved high signal dispersion is here exploited in enantiodiscrimination studies using chiral solvating agents. Continue reading Rapid and efficient enantiodifferentiation through frequency-selective pure-shift ¹H NMR spectroscopy →

Pure Shift NMR & HOBS Experiments

2013-12-16Methods & Applications, Our Research, Seminarsband-selective, enhanced resolution, full sensitivity, HOBS, HOBS-HSQC, HOBS-TOCSY, homodecoupling, homonuclear decoupling, HSQC, multiple frequency pulses, proton-carbon coupling constants, pure-shift NMR, TOCSYLaura

SeRMN seminar

Date: Monday 16th December, 2013
Hour: 10 am
Location: SeRMN, Facultats de Ciències i Biociències, C2/-135
Speaker: Laura Castañar, SeRMN PhD Student & Teaching Assistant, Dept. of Chemistry.

A NMR pulse scheme that provides full sensitivity in homodecouped band-selective NMR experiments is proposed. Continue reading Pure Shift NMR & HOBS Experiments →

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

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 →

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 →

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Tag Archives: pure-shift NMR

Simultaneous 1H and 13C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra

Presentations at the EUROMAR 2014 Conference

HOBS experiments to measure T₁/T₂ relaxation times in overlapped regions

HOBS Applications

SeRMN seminar

Rapid and efficient enantiodifferentiation through frequency-selective pure-shift ¹H NMR spectroscopy

Pure Shift NMR & HOBS Experiments

SeRMN seminar

Implementing homo- and heterodecoupling in region-selective HSQMBC experiments

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

Simultaneous multi-slice excitation in Spatially encoded NMR experiments

Presentations at the SMASH NMR Conference 2013