Tag Archives: HSQC

Perfect-HSQC experiments: pure in-phase spectra

2014-10-04Methods & Applications, Our Publications, Our Researchheteronulear coupling constants, HSQC, one-bond proton-carbon coupling constants, perfect HSQC, proton-proton coupling constants, pure in-phase signalsLaura

“Suppresión of phase and amplitude J_HH modulations in HSQC experiments” by Laura Castañar, Eduard Sistaré, Albert Virgili, Robert Thomas Williamson and Teodor Parella. Magnetic Resonance in Chemistry, 2014 , 53:115-119. DOI: 10.1002/mrc.4149

The amplitude and the phase of cross peaks in conventional 2D HSQC experiments are modulated by both proton–proton, J_HH, and proton–carbon, ¹J_CH, coupling constants. It is shown by spectral simulation and experimentally that J_HH interferences are suppressed in a novel perfect-HSQC pulse scheme that incorporates perfect-echo INEPT periods. Continue reading Perfect-HSQC experiments: pure in-phase spectra →

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 →

Pure In-Phase Heteronuclear Correlation NMR Experiments

2014-06-27Methods & Applications, Our Publications, Our Researchheteronulear coupling constants, HSQC, HSQMBC, IPAP, PIP experiments, proton-carbon coupling constants, proton-proton coupling constantsLaura

“Pure In-Phase Heteronuclear Correlation NMR Experiments ” by Laura Castañar, Josep Sauri, Robert Thomas Williamson, Albert Virgili and Teodor Parella. Angew. Chem. Int. Ed. 2014, 53, 8379-8382. DOI: 10.1002/anie.201404136

A general NMR approach to provide pure in-phase (PIP) multiplets in heteronuclear correlation experiments is described. The implementation of a z-filter efficiently suppresses any unwanted anti-phase contributions that usually distort the multiplet pattern of cross-peaks and can make their analysis difficult. Continue reading Pure In-Phase Heteronuclear Correlation NMR Experiments →

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 →

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 →

SeRMN – NMR Service at UAB

Research & development, training, and facility management