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.

 

Publication 1:

cover1Title: Simultaneous multi-slice excitation in spatially encoded NMR experiments.
Authors: L. Castañar, P. Nolis, A. Virgili and T. Parella.
Reference: Chem. Eur. J., 2013, 19, 15472-15475.
DOI: 10.1002/chem.201303272

 

Pulse programs code for Bruker:

Data set example

Java script for multi-offset calculation and examples

 

 

Publication 2:

cover2Title: Full sensitivity and enhanced resolution in homodecoupled band-selective NMR experiments.
Authors: L. Castañar, P. Nolis, A. Virgili and T. Parella.
Reference: Chem. Eur. J., 2013, 19, 17283-17286.
DOI: 10.1002/chem.201303235

 

Pulse Programs Code for Bruker:

Data set Example:

 

Publication 3:

cover3Title: Measurement of T1/T2 relaxation times in overlapped regions from homodecoupled 1H singlet signals.
Authors: L. Castañar, P. Nolis, A. Virgili and T. Parella.
Reference: J. Magn. Reson., 2014, 244, 30-35.
DOI: 10.1016/j.jmr.2014.04.003

 

Pulse program code for Bruker:

Data set example:

 

 

Publication 4:

cover4Title: Enantiodifferentiation through frequency-selective pure-shift 1H Nuclear Magnetic Resonance spectroscopy.
Authors: L. Castañar, M. Pérez-Trujillo, P. Nolis, E. Monteagudo, A. Virgili and T. Parella.
Reference: ChemPhysChem., 2014, 15, 854-857.
DOI: 10.1002/cphc.201301130

Pulse program code for Bruker:

Data set example

 

 

Publication 5:

Cover5Title: Simultaneous 1H and 13C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra.
Authors: M. Pérez-Trujillo, L. Castañar, E. Monteagudo, L. T. Kuhn, P. Nolis, A. Virgili, R. T. Williamson and T. Parella.
Reference: Chem. Comm., 2014, 50, 10214-10217.
DOI: 10.1039/C4CC04077E

 

Pulse program code for Bruker:

 Data set example

 

 

Publication 6:

cover6Title: Implementing homo- and heterodecoupling in region-selective HSQMBC experiments.
Authors: L. Castañar, J. Saurí, P. Nolis, A. Virgili and T. Parella
Reference: J. Magn. Reson., 2014, 238, 63-69.
DOI:10.1016/j.jmr.2013.10.022

 

Pulse Programs Code for Bruker:

Data set Example:

 

 

Publication 7:

cover7Title: Disentangling complex mixtures of compounds with near-identical 1H and 13C NMR spectra using pure shift NMR.
Authors: L. Castañar, R. Roldán, P. Clapés, A. Virgili and T. Parella.
Reference: Chem. Eur. J., 2015, 21, 7682-7685.
DOI: 10.1002/chem.201500521

 

Pulse Programs Code for Bruker:

Data set Example:

 

 

Publication 8:

cover8Title: Pure in-phase heteronuclear correlation NMR experiments.
Authors: L. Castañar, J. Saurí, R. T. Williamson, A. Virgili and T. Parella.
Reference: Angew. Chem. Intl. Ed., 2014, 53, 8379-8382.
DOI: 10.1002/anie.201404136

 

 Pulse program code for Bruker:

Data set example:

 

Publication 9:

cover9Title: Suppression of phase and amplitude JHH modulations in HSQC experiments.
Authors: L. Castañar, E. Sistaré, A. Virgili, R. T. Williamson and T. Parella.
Reference: Magn. Reson. Chem., 2015, 53, 115-119.
DOI: 10.1002/mrc.4149

Pulse Program Code for Bruker:

Data set Example:

 

Publication 10:

cover10Title: Recent advances in small molecule NMR: Improved HSQC and HSQMBC experiments.
Authors: L. Castañar and T. Parella.
Reference: Annu. Rep. NMR Spectrosc., 2015, 84, 163-232.
DOI: 10.1016/bs.arnmr.2014.10.004

 

 

 

APPENDIX

REFERENCE: Josep Sauri PhD thesis

Publication 11:

cover11Title: P.E.HSQMBC: Simultaneous measurement of proton-proton and proton-carbon coupling constants
Authors: J. Saurí, P. Nolis, L. Castañar, A. Virgili and T. Parella.
Reference: J. Magn. Reson., 2012, 224, 101-16.
DOI: 10.1016/j.jmr.2012.09.007

 

Pulse Program Code for Bruker:

Data set Example:

 

Publication 12:

cover12Title: Straightforward measurement of individual 1JCH and 2JHH in diastereotopic CH2 groups
Authors: J. Saurí, L. Castañar, P. Nolis,  A. Virgili and T. Parella.
Reference: J. Magn. Reson., 2014, 242, 33-40.
DOI: 10.1016/j.jmr.2014.02.003

 

 Pulse Program Code for Bruker:

Data set Example:

 

Publication 13:

cover13Title: Broadband 1H homodecoupled NMR experiments: recent developments, methods and applications
Authors: L. Castañar and T. Parella.
Reference: Mag. Reson. Chem., 2015, 53, 399-426.
DOI: 10.1002/mrc.4238 

© 2015 – 2016, Laura. All rights reserved by the author(s) and Universitat Autonoma de Barcelona except for texts and images already copyrighted by third parties (e.g. journal publishers) and used here under the fair use provision.