Topical Meeting on quantitative 2D HSQC

General information: Topical Meeting on quantitative 2D HSQC

Organized by: SwedNMR and the Swedish University of Agricultural Sciences (SLU)
Dates: 4 – 5 June 2024, from lunch to lunch
The scope:
• How quantitative is HSQC?
• Which experiment for which application and sample?
The participants are most welcome to have a small presentation and/or suggest discussion topics as well as to bring their own HSQC spectra.
Venue & Address: SLU, Ultuna, Uppsala (BioCenter building)
Target group: SwedNMR staff scientists and experts as well as other NMR spectroscopists interested to learn more about this topic
Format: Lectures and discussions
Organizers and Contacts: Hanna Eriksson Röhnisch; Dept. of Molecular Sciences, Swedish University of Agricultural Sciences (SLU), Uppsala, Sweden
Contact e-mail: hanna.eriksson.rohnisch@slu.se or swednmr@slu.se
Information: Will be send by e-mail to the registered participants
Registration: May 27, 2024

Program
Meeting lecturers and discussion moderators
Dr. Benjamin Goerling, (Bruker BioSpin Rheinstetten, Germany)
Prof. Gérald Remaud (Nantes University, France)
Preliminary Schedule

Day 1
13.15 – 14.00: Welcome, introduction and initial round table discussion about the participants aim for the meeting
14.00 – 15.00: How quantitative is an HSQC? (Benjamin Goerling)
15.00 – 15.30: Coffee break
15.30 – 16.30: Moderated discussion/round table
ca 19:00 Meeting dinner

Day 2
09.00 – 10.00: Towards robust quantitative 2D HSQC NMR with high precision and sensitivity (Gérald Remaud)
10.00 – 10.30: Coffee break
10.30 – 11.30: Moderated discussion/round table
11.30 – 12.00: Closing

(For the meeting presentations/discussions, it will be arranged with zoom so that individuals can partake digitally)

Suggested literature to read before the meeting

  • Heikkinen S, Toikka MM, Karhunen PT, Kilpeläinen IA. Quantitative 2D HSQC (Q-HSQC) via suppression of J-dependence of polarization transfer in NMR spectroscopy: application to wood lignin. J Am Chem Soc. 2003,125(14), 4362-7.

  • Hu K, Westler WM, Markley JL. Simultaneous quantification and identification of individual chemicals in metabolite mixtures by two-dimensional extrapolated time-zero (1)H-(13)C HSQC (HSQC(0)). J Am Chem Soc. 2011, 133(6),1662-5.

  • Haddad L, Renou S, Remaud GS, Rizk T, Bejjani J, Akoka S. A precise and rapid isotopomic analysis of small quantities of cholesterol at natural abundance by optimized 1H-13C 2D NMR. Anal Bioanal Chem., 2021, 413(6), 1521-1532.

  • Giraudeau P. Quantitative NMR spectroscopy of complex mixtures. Chemical Communications (Cambridge, England), 2023, 59(44), 6627-6642.

  • Lane D, Skinner TE, Gershenzon NI, Bermel W, Soong R, Dutta Majumdar R, Liaghati Mobarhan Y, Schmidt S, Heumann H, Monette M, Simpson MJ, Simpson AJ. Assessing the potential of quantitative 2D HSQC NMR in 13C enriched living organisms. J Biomol NMR, 2019, 73(1-2), 31-42.

  • Castañar L, Parella T. Recent Advances in Small Molecule NMR: Improved HSQC and HSQMBC Experiments. Annual Reports on NMR Spectroscopy, 2015, 84, 163-232.