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Abstract Book INDEX Page INTRODUCTORY REMARKS 3 SCIENTIFIC COMMITTEE 6 AWARDEES 8 ON-LINE PROGRAM 13 ABSTRACTS 19 01. Biomolecular NMR 20 02. Computation 91 03. EPR / ESR 97 04. Hyperpolarization 114 05. Instrumentation - Hardware 157 06. In cell NMR 167 07. Materials 171 08. Metabolomics 196 09. MRI – in vivo 209 10. Small molecules & Drug design 214 11. Solid State – Methods 221 12. Solid State – Applications 236 13. Solution State - Methods 255 THE FUTURE OF EUROMAR 276 2 INTRODUCTORY REMARKS 3 Dear Colleagues, It is my pleasure to welcome you to this short online- EUROMAR meeting, organized by Óscar Millet. Of course, I was looking very much forward to meeting you in person in Bilbao at the planned EUROMAR 2020 meeting – first scheduled at the beginning of July and then at this week of December. Unfortunately, this was not possible due to the high number of Corona cases worldwide. What a pity for all of us, but especially for Óscar, after all the preparations, planning and selection of plenary and invited speakers! Now, as we are experiencing a long time without any in person meetings, we all realize how important these personal meetings are. Especially for young PhD students or Post-doctoral researchers, this lack of opportunities to present their data and to communicate with senior scientists is discouraging. I am very grateful that Óscar proposed to organize this two-day-online EUROMAR meeting to promote especially work of such young scientists. In addition, we will have lectures from the recipients of the Richard Ernst Prize, the Varian Young Investigator Award, the AMPERE Prize and the Raymond Andrew Prize, as it is tradition at our EUROMAR conferences. I hope very much that you will enjoy this short online meeting – despite the fact that we cannot explore the city of Bilbao and its superb cuisine this time in the evening! I hope there will be another chance sometime in the future! I wish all of you save and peaceful holidays and am looking very much forward to seeing many of you again next year - hopefully in person! Best regards, Thomas Prisner (Chair of the Board of Trustees of EUROMAR) 4 Dear Colleagues, It has been a great pleasure for me to organize an on-line version of the EUROMAR conference. It was a strange conference for a strange year. First of all, I wanted to acknowledge the difficult times we are all undergoing. Most of us are acquainted with people who have suffered, even died from this devastating disease. The implications of the pandemic have shacked the very fabric of our society, including our capacity to casually meet at a conference. Yet, live goes on and we have demonstrated, once more, our ability to endure and bypass adversity. Having an on-line version of EUROMAR aimed to honor this idea as well. The on-line conference had two main goals; to give a proper scenario for the well-deserved awards and for young scientists as well, in the format of abstract submission and flash presentations. Consistently, the on-line conference becomes completed with the circulation of this booklet, that will give the received abstracts access to the community. I must admit that this conference was an experiment and the reception by the community has been exceptional, for which I would like to personally thank you all. Finally, I wanted to extend my gratitude to the people who actively and efficiently worked to make this conference possible: Sara Gómez, Ganeko Bernardo and, most specially, Beatriz González. Looking forward to meeting you all in the future (preferably in the real space), Oscar Millet 5 SCIENTIFIC COMMITTEE 6 Inés Garcia Rubio ICMA, Zaragoza, Spain Ana M. Gil University of Aveiro, Aveiro, Portugal Jesús Jiménez-Barbero CIC bioGUNE, Derio, Spain Arno Kentgens Radboud University, Nijmegen, Netherlands Antoine Loquet IECB, Bordeaux, France Oscar Millet, Chair CIC bioGUNE, Derio, Spain Miquel Pons Universitat de Barcelona, Barcelona, Spain Thomas Prisner University of Frankfurt, Frankfurt, Germany Christina Redfield University of Oxford, Oxford, UK Cristina M Thiele Technische Universität Darmstadt, Darmstadt, Germany Thomas Vosegaard Aarhus University, Aarhus, Denmark Andrew G. Webb Leiden University, Leiden, Netherlands 7 AWARDEES 8 CLARE P. GREY – Richard Ernst Award 2020 She currently is full Professor at the Department of Chemistry from Cambridge University. She has published near 400 papers and she has received many awards including AMPERE award (2010), the Laukien award (2013) and the Vaughn Lecture award (2008). Prof. Grey is a Fellow of the Royal Society. Her research interests include the synthesis, characterization and electrochemical testing of lithium ion batteries electrode materials; the development of new in situ NMR methods for probing lithium-ion battery and supercapacitor function; the application of novel local probes of structure (NMR, pair distribution function analysis) to monitor structural changes in electrode materials during and following cycling; the oxygen- ion and proton conductivity in membranes for solid oxide fuel cells; the structures of solid- water interfaces and the catalysis and sorption. THOMAS THEIS – AMPERE Prize 2020 He currently is assistant Professor at the Department of Chemistry of the North Carolina State University. Dr. Theis has published close to 50 papers and has received several awards, including the Magnetic Resonance in Chemistry Young Investigator award. His research interests include the development of methodology in hyperpolarization chemistry using para- hydrogen to enhance NMR and MRI signals by up to 6 orders of magnitude and the exploration of new applications such as portable NMR and cost- efficient molecular imaging. CHRISTIAN BENGS – Raymond Andrew Prize 2020 He did his Ph. D. Thesis in the group of Prof. Malcolm Levitt at the University of Southampton. He has published 14 papers and his research interest include the development of new experimental techniques in NMR spectroscopy and its application to systems of interest in biology and materials science. Specifically, Christian Bengs has focused in understanding the underlying theory associated to the so-called long-lived singlet order and the understanding of the NMR lineshape of fullerenes, among other topics. PAUL SCHANDA – Varian Young Investigator Award 2020 As of 2021, he will become Full Professor at the Institute of Science and Technology in Austria. He has published 70 papers and he is recipient of an ERC grant among other distinctions and merits. His research interests are the study of dynamic ensembles of protein structures linked to biological function by using multiple biophysical techniques (i. e. ssNMR, lsNMR and cryo- EM) and biochemistry to uncover the link between functional mechanisms of biomolecules and the underlying structural dynamics. 9 KATHRIN AEBISCHER (JMR award) Kathrin Aebischer started as a PhD student at the Laboratory of Physical Chemistry at ETH Zürich in December 2020. She obtained both her BSc and MSc in Chemistry at ETH Zürich, examining the effects of radio-frequency field inhomogeneity on MAS solid-state NMR experiments in her master’s thesis. Her doctoral research in the group of Prof. Matthias Ernst will focus on methods development in solid-state NMR. ARNAU BERTÁN (EPR Society award) Arnau obtained BSc degrees in Physics and Chemistry (2017) from the Autonomous University of Barcelona, Spain, with a final year research project on superparamagnetic composite nanomaterials conducted at the Institute of Materials Science of Barcelona (ICMAB-CSIC). He then moved to London to complete an MSc in Advanced Materials Science and Engineering at Imperial College (2018), with a Master's thesis on nanostructured photoanodes for solar water splitting. After that he joined the Department of Chemistry and Lincoln College at the University of Oxford to start his doctoral studies (DPhil) in Inorganic Chemistry, under the supervision of Dr. Alice Bowen and Prof. Christiane Timmel. His work focuses on the development of new Light-Induced Pulsed Electron Spin Resonance Dipolar Spectroscopy techniques for biological applications. YURY KUTIN (EPR Society award) Yury Kutin obtained both Bachelor´s degree and Master´s degree in Physics at the Departament of Physics in Kazan State University. After the Erasmus Mundus PhD Scholarship at Institut für Angewandte Physik (Germany) in 2011, he began his Doctoral thesis at the Institute of Physics in Kazan federal University working on the identification and characterization of impurity centers in ZnO based on high-frequency EPR/ENDOR spectroscopy. Then he works as a postdoctoral researcher at Max-Planck-Institut für Chemische Energiekonversion under the supervision of Dr. W. Lubitz and Dr. A. Schnegg. Now he is in the Physikalische Chemie at the Technische Unviersität Dortmund with the Prof. M. Kasanmascheff working as a postdoctoral researcher in diferent fields as the DEER/RIDME study of dimerization pathways of Cu-labeled DNA G-quadruplexes using an integrates AWG, or the determination of midpoint potencials in 2Fe-2S ferredoxins via EPR-monitored redox tritations. LAURIANE LECOQ (JMR award) Lauriane Lecoq began her NMR career during her Ph.D. at the Institute of Structural Biology in Grenoble (France) under the supervision of Jean-Pierre Simorre, working on structural and dynamical characterization of proteins involved in antibiotic resistance using solution state 10 NMR. After her Ph.D. obtained in 2012, Lauriane continued working in protein solution NMR at the University of Montreal (Canada) as a post-doc. In 2015, she began working in solid state NMR in the group of Anja Böckmann at the MMSB, University of Lyon (France), where she is now working as a CNRS permanent researcher. Her work focuses on viral assemblies, including proteins from the hepatitis B and D, dengue and SARS-CoV-2 viruses. MARÍA PÍA LENZA (JMR award) M. Pia Lenza has got her Bachelor degree in Biotechnology and Master degree in Medical Biotechnology at University of Naples “Federico II”. After, she attended the residency program in pathology and clinical biochemistry at University of Naples Federico II- Faculty of Medicine.
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