All posts by Josep

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

2014-05-29Methods & Applications, News from the SeRMN, Our ResearchE.COSY, HSQMBC, IPAP, J-resolved, PhD Thesis, proton-carbon coupling constants, spin-state selectionJosep

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

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 →

PhD Thesis by Josep Saurí: Pulse Programs and Data Set Examples

2014-04-25News from the SeRMN, Our Researchheteronulear coupling constants, pulse programsJosep

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 spectra have been previously phased and 2ii, 2ir, and 2ri files removed, otherwise data sets would be too big. Continue reading PhD Thesis by Josep Saurí: Pulse Programs and Data Set Examples →

Easy measurement of one-bond proton-carbon and geminal proton-proton coupling constants in diastereotopic methylene groups

2014-02-21Methods & Applications, Our Publications, Our ResearchE.COSY, inverse INEPT, methylene spin systems, one-bond proton-carbon coupling constants, residual dipolar couplings, two-bonds proton-proton coupling constantsJosep

“Straightforward measurement of individual ¹J(CH) and ²J(HH) in diastereotopic CH₂ groups” by Josep Saurí, Laura Castañar, Pau Nolis, Albert Virgili and Teodor Parella. Journal of Magnetic Resonance 242 (2014) 33–40. DOI: 10.1016/j.jmr.2014.02.003

The C-H_A cross-peak corresponding to a diastereotopic CH_AH_B methylene spin system exhibits a characteristic 1:0:1 multiplet pattern along the indirect dimension of a ω₁-coupled HSQC spectrum. Continue reading Easy measurement of one-bond proton-carbon and geminal proton-proton coupling constants in diastereotopic methylene groups →

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.

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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 →

CLIP-HSQMBC: Very easy, direct and accurate measurement of ⁿJ_CH in organic molecules and natural products

2013-05-29Methods & Applications, Our Publications, Our ResearchHSQMBC, proton-carbon coupling constantsJosep

CLIP-HSQMBC: Easy measurement of small proton-carbon coupling constants in organic molecules, by Josep Saurí, Teodor Parella and Juan F. Espinosa; Org. Biomol. Chem., 2013, 11, 4473-4478. DOI:10.1039/C3OB40675J

A user-friendly 2D NMR approach denoted as CLIP-HSQMBC is proposed for the very easy, direct and accurate measurement of long-range proton-carbon coupling constants in organic molecules and natural products. The J value can be extracted directly from the analysis of resolved in-phase 1H multiplets that show an additional splitting arising from the proton-carbon coupling. Continue reading CLIP-HSQMBC: Very easy, direct and accurate measurement of ⁿJ_CH in organic molecules and natural products →

J-selHSQMBC: Simultaneous measurement of J_HH and two different ⁿJ_CH using IPAP, J-resolved and E.COSY principles

2013-05-10Methods & Applications, Our Publications, Our ResearchE.COSY, HSQMBC, IPAP, J-resolved, proton-carbon coupling constants, proton-proton coupling constantsJosep

cover_MRC “Simultaneous measurement of J(HH) and two different ⁿJ(CH) coupling constants from a single multiply-edited 2D cross-peak”, by Josep Saurí and Teodor Parella; Magn. Reson. Chem. 2013, 51, 397-402. DOI: 10.1002/mrc.3960

Three different J-editing methods (IPAP, E.COSY and J-resolved) are implemented in a single NMR experiment to provide spin-state-edited 2D cross-peaks from which simultaneous measurement of different homonuclear and heteronuclear coupling constants can be performed. Continue reading J-selHSQMBC: Simultaneous measurement of J_HH and two different ⁿJ_CH using IPAP, J-resolved and E.COSY principles →

Measurement of the sign and the magnitude of small heteronuclear coupling constants

2013-05-06Seminarsproton-carbon coupling constantsJosep

SeRMN seminar

Date: Friday 10th May, 2013
Hour: 10 am
Location: SeRMN, Facultats de Ciències i Biociències, C2/-135
Speaker: Josep Saurí, SeRMN PhD Student

Continue reading Measurement of the sign and the magnitude of small heteronuclear coupling constants →

HSQMBC-COSY: Measurement of the sign and the magnitude of long-range proton-carbon coupling constants

2012-10-11Methods & Applications, Our Publications, Our ResearchHSQMBC, IPAP, proton-carbon coupling constants, spin-state selectionJosep

“Efficient measurement of the sign and the magnitude of long-range proton-carbon coupling constants from a spin-state-selective HSQMBC-COSY experiment”, by Josep Saurí and Teodor Parella; Magn. Reson. Chem. 2012, 50, 717-721. DOI:10.1002/mrc.3867

A spin-state-selective HSQMBC-COSY experiment is proposed to measure the sign and the magnitude of long-range proton-carbon coupling constants (ⁿJ(CH); n>1) either for protonated and for non-protonated carbons in small molecules. Continue reading HSQMBC-COSY: Measurement of the sign and the magnitude of long-range proton-carbon coupling constants →

Presentations to the Ibero-American NMR & GERMN Bienal & Iberian NMR joint meeting

2012-09-21News from the SeRMN, NMR Events & Courses, Our Publications, Our Researchaligned-media, HSQMBC, IPAP, metabolomics, poly(methyl-methacrylate), proton-carbon coupling constants, RDCs, strained aligning gelsJosep

Next week several SeRMN members will present our research work at the IV Ibero-American NMR – VI GERMN Bienal – III Iberian NMR joint meeting that will take place in Aveiro (Portugal) from 25^th to 28^th September. Find below a summary of our contributions.

Continue reading Presentations to the Ibero-American NMR & GERMN Bienal & Iberian NMR joint meeting →

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