NMR uppsala symposium 2022
Welcome to attend the 3rd NMR Uppsala Minisymposium!
The agenda consists of a series of lectures highlighting some of the opportunities provided by
modern NMR spectroscopy, covering topics ranging from small molecules to biomacromolecules.
NMR Uppsala is a cross-faculty technology platform funded by the
Department of Chemistry - BMC and the Disciplinary Domain of Medicine and Pharmacy at Uppsala University.
NMR Uppsala is the small molecule node of SwedNMR, the national research infrastructure for NMR spectroscopy
that is supported by the Swedish Research Council. It also receives support from SciLifeLab.
The agenda consists of a series of lectures highlighting some of the opportunities provided by
modern NMR spectroscopy, covering topics ranging from small molecules to biomacromolecules.
NMR Uppsala is a cross-faculty technology platform funded by the
Department of Chemistry - BMC and the Disciplinary Domain of Medicine and Pharmacy at Uppsala University.
NMR Uppsala is the small molecule node of SwedNMR, the national research infrastructure for NMR spectroscopy
that is supported by the Swedish Research Council. It also receives support from SciLifeLab.
Abstract submission deadline: March 20, 2022
Submit your abstract (one A4 page) to [email protected]
PhD students and postdocs from universities outside of the Uppsala-Stockholm region are welcome to apply for a SwedNMR scholarship to cover their cost of traveling to the symposium. This should be done along with the abstract submission as a separate document providing the estimated costs and the contact address of their main supervisor.
Submit your abstract (one A4 page) to [email protected]
PhD students and postdocs from universities outside of the Uppsala-Stockholm region are welcome to apply for a SwedNMR scholarship to cover their cost of traveling to the symposium. This should be done along with the abstract submission as a separate document providing the estimated costs and the contact address of their main supervisor.
Scientific Program
Wednesday, May 4
13:15-17:00 Topspin software workshop with Bruker
Guide to process and analysis of 1D and 2D NMR spectra, questions
Lecture hall A9:105a (registration required on this link)
Thursday, May 5
Triple room, Navet, BMC, Uppsala (registration required)
8:45-9:00 Opening
9:00-9:30 Craig Butts: "Adventures in (machine) learning to determine 3D structure with NMR spectroscopy"
9:40-9:55 Luisa Beyer: "Structure determination of new antimicrobial peptides from marine actinobacteria"
10:00-10:15 Yan Xue: "Determination of amide cis/trans isomers in N-acetyl-D-glucosamine: NMR analysis of the N-acetyl group conformation"
10:20-10:40 Coffe break
10:40-10:55 Scott Wilcox: "Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution?"
11:00-11:15 Helgi Freyr Jónsson: "Halogen bond activation in gold catalysis"
11:20-11:35 Dimitris Argyropoulos: "Evaluation of the benefit and informing capability of 2D NMR experiments for structure elucidation using CASE software"
11:40-13:00 Lunch break
13:05-13:35 Monika Schönhoff: "Ion transport in Li battery electrolytes: Diffusion, mobility and ion correlations"
13:45-14:00 Wandi Wahyudi: "Solvent and anion pairs in electrolytes unravelled by NMR spectroscopy"
14:05-14:20 Aleksander Jaworski: "Electron correlation and vibrational effects in predictions of paramagnetic NMR shifts"
14:25-14:40 Elin Alexandersson: "NMR experiments for selective suppression of unwanted signals in complex spectra"
14:45-15:00 Jonathan Bogaerts: "Can one distinguish a bioactive compound from its inactive epimer based on their solution conformational ensemble?"
15:05-15:25 Coffe break
SwedNMR session:
15:30-16:00 Katja Petzold: "Dancing RNAs: How RNA structural changes defines function"
16:05-16:20 Johannes Thoma: "Characterizing proteins in their native environment: Advances in in situ NMR"
16:25-16:40 Elin Karlsson: "The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved"
16:45-17:00 Daniel Tietze: "Substrate binding and protonation states at the active-site of a nickel superoxide dismutase-derived metallopeptide: implications for the mechanism of superoxide degradation"
17:00-17:10 Closing
13:15-17:00 Topspin software workshop with Bruker
Guide to process and analysis of 1D and 2D NMR spectra, questions
Lecture hall A9:105a (registration required on this link)
Thursday, May 5
Triple room, Navet, BMC, Uppsala (registration required)
8:45-9:00 Opening
9:00-9:30 Craig Butts: "Adventures in (machine) learning to determine 3D structure with NMR spectroscopy"
9:40-9:55 Luisa Beyer: "Structure determination of new antimicrobial peptides from marine actinobacteria"
10:00-10:15 Yan Xue: "Determination of amide cis/trans isomers in N-acetyl-D-glucosamine: NMR analysis of the N-acetyl group conformation"
10:20-10:40 Coffe break
10:40-10:55 Scott Wilcox: "Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution?"
11:00-11:15 Helgi Freyr Jónsson: "Halogen bond activation in gold catalysis"
11:20-11:35 Dimitris Argyropoulos: "Evaluation of the benefit and informing capability of 2D NMR experiments for structure elucidation using CASE software"
11:40-13:00 Lunch break
13:05-13:35 Monika Schönhoff: "Ion transport in Li battery electrolytes: Diffusion, mobility and ion correlations"
13:45-14:00 Wandi Wahyudi: "Solvent and anion pairs in electrolytes unravelled by NMR spectroscopy"
14:05-14:20 Aleksander Jaworski: "Electron correlation and vibrational effects in predictions of paramagnetic NMR shifts"
14:25-14:40 Elin Alexandersson: "NMR experiments for selective suppression of unwanted signals in complex spectra"
14:45-15:00 Jonathan Bogaerts: "Can one distinguish a bioactive compound from its inactive epimer based on their solution conformational ensemble?"
15:05-15:25 Coffe break
SwedNMR session:
15:30-16:00 Katja Petzold: "Dancing RNAs: How RNA structural changes defines function"
16:05-16:20 Johannes Thoma: "Characterizing proteins in their native environment: Advances in in situ NMR"
16:25-16:40 Elin Karlsson: "The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved"
16:45-17:00 Daniel Tietze: "Substrate binding and protonation states at the active-site of a nickel superoxide dismutase-derived metallopeptide: implications for the mechanism of superoxide degradation"
17:00-17:10 Closing
Craig ButtsUniversity of Bristol, Bristol, UK "Adventures in (Machine) Learning to Determine 3D structure with NMR spectroscopy" |
Katja petzoldKarolinska Institutet, Stockholm, Sweden "Dancing RNAs: How RNA structural changes define function" |
MONIKA SCHÖNHOFFUniversity of Münster, Münster, Germany "Ion transport in Li battery electrolytes: Diffusion, mobility and ion correlations" |
Speakers
Jens Christian Madsen
Bruker Biospin, Sweden
Topspin workshop
Luisa Beyer
University of Gothenburg, Sweden
"Structure determination of new antimicrobial peptides from marine actinobacteria" 
Elin Alexandersson
Swedish University of Agricultural Sciences, Sweden
"NMR experiments for selective suppression of unwanted signals in complex spectra" 
Johannes Thoma
University of Gothenburg, Sweden
"Characterizing proteins in their native environment: Advances in in situ NMR" |
Dimitris Argyropoulos
ACD/Labs, UK
"Evaluation of the benefit and informing capability of 2D NMR experiments for structure elucidation using CASE software" 
Jonathan Bogaerts
University of Antwerp, Belgium
"Can one distinguish a bioactive compound from its inactive epimer based on their solution conformational ensemble?" 
Yan Xue
Swedish University of Agricultural Sciences, Sweden
"Determination of amide cis/trans isomers in N-acetyl-D-glucosamine: NMR analysis of the N-acetyl group conformation" 
Scott Wilcox
Uppsala University
"Do 2-coordinate iodine(I) and silver(I) complexes form nucleophilic iodonium interactions (NIIs) in solution?" |
Aleksander Jaworski
Stockholm university, Sweden
"Electron correlation and vibrational effects in predictions of paramagnetic NMR shifts" 
Elin Karlsson
Uppsala University, Sweden
"The dynamic properties of a nuclear coactivator binding domain are evolutionarily conserved" 
Helgi Freyr Jonsson
Norwegian University of Science and Technology, Norway
"Halogen bond activation in gold catalysis" 
Daniel Tietze
University of Gothenburg
"Substrate binding and protonation states at the active-site of a nickel superoxide dismutase-derived metallopeptide: implications for the mechanism of superoxide degradation" |
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