Tag Archives: HSQMBC

Presentations at the EUROMAR 2016 Conference

euromar

André Fredi (PhD student) and Teodor Parella presented our last research works at the annual meeting of the European magnetic resonance community EUROMAR 2016 Conference that was celebrated on days 3th to 7th July in Aarhus, Denmark. Find below a summary of our contributions. Continue reading Presentations at the EUROMAR 2016 Conference

Exploring the use of Generalized Indirect Covariance to Reconstruct Pure shift NMR Spectra: Current Pros and Cons.

JMR

Title: Exploring the use of Generalized Indirect Covariance to Reconstruct Pure shift NMR Spectra: Current Pros and Cons.
Authors: André Fredi, Pau Nolis, Carlos Cobas, Gary E. Martin and Teodor Parella.
DOI: 10.1016/j.jmr.2016.03.003

ABSTRACT: The current pros and cons of a processing protocol to generate pure chemical shift NMR spectra using Generalized Indirect Covariance are presented and discussed. The transformation of any standard 2D homonuclear and heteronuclear spectrum to its pure shift counterpart by using a reference DIAG spectrum is described. Continue reading Exploring the use of Generalized Indirect Covariance to Reconstruct Pure shift NMR Spectra: Current Pros and Cons.

PhD Thesis: Development and application of modern pure shift NMR techniques and improved HSQC and HSQMBC experiments

Last 16st July 2015 I defended my PhD Thesis entitled: Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments.

Presentación1

The present doctoral thesis is framed within the Nuclear Magnetic Resonance (NMR) spectroscopy field, more specifically in the design of modern NMR methodologies. The research work carried out is focused on the design and application of new and modern NMR methodologies (i) to perform efficient broadband 1H homodecoupling in 1D/2D NMR experiments and (ii) to accurately determine homo- and heteronuclear coupling constants in isotropic and anisotropic conditions through improved HSQC and HSQMBC-type experiments. The thesis is presented as a compendium ten (10) publications that have been published in several peer-reviewed international scientific journals as original research papers. Continue reading PhD Thesis: Development and application of modern pure shift NMR techniques and improved HSQC and HSQMBC experiments

PhD Thesis by Laura Castañar: Pulse Programs and Data Set Examples

Development and application of modern pure shift NMR techniques and improved HSQC/HSQMBC experiments

Presentación1

In the following links one can find Data Set Examples of each Publication presented in the Thesis Work, as well as the corresponding Pulse Program Code for Bruker. All 2D spectra have been previously phased and 2ii, 2ir, and 2ri files removed, otherwise data sets would be too big. Continue reading PhD Thesis by Laura Castañar: Pulse Programs and Data Set Examples

Review: Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments

annrep“Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments” by Laura Castañar and Teodor Parella. Annual Reports on NMR Spectroscopy, 2015, 84:163–232. DOI: 10.1016/bs.arnmr.2014.10.004

A general description of the latest developments in heteronuclear single-quantum correlation and heteronuclear single-quantum multiple bond correlation experiments designed for small molecules at the natural isotopic abundance is reported. Continue reading Review: Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments

Pure In-Phase Heteronuclear Correlation NMR Experiments

“Pure Incover-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

PhD Thesis: Modern NMR Methodologies for the Measurement of Homo- and Heteronuclear Coupling Constants in Small Molecules

Last 21st May 2014 I defended my PhD Thesis entitled: Modern NMR Methodologies for the Measurement of Homo- and Heteronuclear Coupling Constants in Small Molecules

 

PhD thesis JSauri - Graphical Abstract - Publications

 

The dissertation is focused on the development of modern NMR methodologies for the measurement of homo- and heteronuclear coupling constants in small molecules, and is presented as a compendium of eight (8) publications that have been published in several peer-reviewed journals as original research papers.  Continue reading PhD Thesis: Modern NMR Methodologies for the Measurement of Homo- and Heteronuclear Coupling Constants in Small Molecules

Implementing homo- and heterodecoupling in region-selective HSQMBC experiments

S10907807Implementing homo- and heterodecoupling in region-selective HSQMBC experiments” by Laura Castañar, Josep Sauri, Pau Nolis, Albert Virgili and Teodor ParellaJournal 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.

abstract

Pulse Programs Code for Bruker:

Data set Example:

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: http://dx.doi.org/10.1002/chem.201303235

Simultaneous multi-slice excitation in spatially encoded NMR experiments

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