19th NMR USERS MEETING PROGRAM
September 25th, 2023
14h – 17h Bruker Users Meeting
Chairs: Alexandre Scheffer (Bruker) and Mark Chaykovsky (Bruker)
14h – 14h20 Welcome and news from Bruker Biopsin - Alexandre Scheffer (Bruker) and Mark Chaykovsky (Bruker)
14h20 – 14h35 Solid-state NMR news and updates - Sebastian Wegner (Bruker)
1435 – 14h55 Fourier 80 benchtop NMR - Agnes Haber (Bruker)
14h55 –15h10 Analyzing battery materials by NMR - Joerg Koehler (Bruker)
15h10 – 15h25 Mestrelab news & updates - Guy Desmarquets (Mestrelab)
15h25 – 15h55 Coffee Break
15h55 – 16h10 DNP NMR updates - Jim Kempf (Bruker)
16h10 – 16h25 News and updates from EPR - Kalina Ranguelova (Bruker)
16h25 – 16h40 Liquid NMR applications - Clemens Anklin (Bruker)
16h40 – 16h55 Heliosmart - Razvan Teodorescu (Bruker)
16h55 – 17h Closing remarks
17h – 17h30 Opening Ceremony
17h30 – 18h30 Opening Lecture
Chair: Anderson de Sá Pinheiro (UFRJ, Brazil)
The RNA Structural Biology of SARS-CoV-2: from understanding RNA structural dynamics to targeting RNA
Harald Schwalbe (University of Frankfurt, Germany)
18h30 – 21h30 Welcome Reception
September 26th, 2023
9h – 9h45 Plenary Lecture 01
Chair: Alvicler Magalhães (UFRJ)
NMR Quantum Thermodynamics
Ivan dos Santos Oliveira Júnior (CBPF, Brazil)
9h45 – 10h15 Coffee Break
10h15 – 12h15 Symposium 01: Quantitative NMR/Medicinal Chemistry
Chair: Antônio Gilberto Ferreira (UFSCar, Brazil)
10h15 – 10h45 What do spectroscopy, forensic sciences and data analysis have in common? A metrologist's point of view - Bruno Carius Garrido (INMETRO, Brazil)
10h45 – 11h15 qNMR in Natural Products: practical approaches - Glaucia Braz Alcântara (UFMS, Brazil)
11h15 – 11h45 NMR ligand-enzyme analysis for identification of nucleoside hydrolase inhibitors - Luzineide Wanderley Tinoco (UFRJ, Brazil)
11h45 – 12h Quantification of sugars and HMF in honey using Nuclear Magnetic Resonance - Thays Cardoso Valim (UFES, Brazil)
12h – 12h15 Probing mefloquine-resin complexes by 13C solid-state NMR - Eduardo Gomes Rodrigues de Souza (Fiocruz, Brazil)
12h15 – 12h45 Sponsor's Lecture 01
Chair: Antônio Gilberto Ferreira (UFSCar, Brazil)
Helium market in Brazil has several challenges once it is a continental size country
Luis Felipe Marques Simões (Air Products)
12h45 – 14h15 Lunch
14h15 – 16h15 Symposium 02: Time-Domain NMR/Materials
Chair: Luiz Alberto Colnago (EMBRAPA, Brazil)
14h15 – 14h45 New applications of low field Nuclear Magnetic Resonance in Soil Science - Etelvino Henrique Novotny (EMBRAPA, Brazil)
14h45 – 15h15 Analysis of the roasting process in coffee beans by TD-NMR - Roberto Pinto Cucinelli Neto (UFRJ, Brazil)
15h15 – 15h45 Understanding some processes on surfaces of catalytic materials using NMR-DFT combination - Alexandre Amaral Leitão (UFJF, Brazil)
15h45 – 16h Solid-state NMR characterization of graphene oxides used for electrochemical approaches - Jair Carlos Checon de Freitas (UFES, Brazil)
16h – 16h15 Development and characterization of nanoporous materials using cryoporometry and Nuclear Magnetic Resonance techniques - Bruno Trebbi (USP, Brazil)
16h15 – 16h45 Coffee Break
16h45 – 17h30 Plenary Lecture 02
Chair: Roberto Kopke Salinas (USP, Brazil)
Probing chromatin function with NMR
Hugo van Ingen (University of Utrecht, The Netherlands)
17h30 – 18h30 NMR Infrastructure Round Table
Chair: Anderson de Sá Pinheiro (UFRJ, Brazil)
AUREMN has initiated discussions regarding the improvement of the NMR infrastructure in Brazil, leading to the establishment of a dedicated committee. During this roundtable session, our aim is to introduce the community to the initial measures taken and to glean insights from Professor Schwalbe's experience in managing NMR infrastructure in Europe. The format will involve 30 minutes of presentations, followed by 30-minute discussion with the members of the NMR community.
Roundtable:
Harald Schwalbe (Instruct-ERIC, EU) - invited
Fabio Ceneviva Lacerda de Almeida (UFRJ, Brazil)
Tito José Bonagamba (USP, Brazil)
Andersson Barison (UFPR, Brazil)
Claudio Francisco Tormena (UNICAMP, Brazil)
Luciano Morais Lião (UFG, Brazil)
17h30 – 17h40 Introduction: goals and first actions - Fabio Ceneviva Lacerda de Almeida (UFRJ, Brazil)
17h40 – 18h Vision and Structure of the European Research Infrastructure Consortia (ERIC) in Integrated Structural Biology - Harald Schwalbe (Instruct-ERIC, EU)
18h – 18h30 Discussion with the audience (Q&A)
18h30 – 19h Sponsor's Lecture 02
Chair: Anderson de Sá Pinheiro (UFRJ, Brazil)
Measuring inflammation and cardiovascular markers at benchtop NMR using diffusion and relaxation edited experiments
Julien Wist (Murdoch University, Australia)
19h – 21h Poster Session 01 (ODD NUMBER ABSTRACTS)
September 27th, 2023
9h – 9h45 Plenary Lecture 03
Chair: Sônia Maria Cabral de Menezes (AUREMN)
DNP surface enhanced solid-state NMR spectroscopy: recent developments and applications
Anne Lesage (Université de Lyon, France)
9h45 – 10h15 Coffee Break
10h15 – 12h15 Symposium 03: Imaging/Instrumentation
Chair: Fernando Fernandes Paiva (USP, Brazil)
10h15 – 10h45 Deuterium MRI: The next tool for cancer detection? - Elton Tadeu Montrazi (Weizmann Institute of Science, Israel)
10h45 – 11h15 Magnetic Resonace Imaging as a tool to enlighten the understanding of the brain clearance - André Monteiro Paschoal (UNICAMP, Brazil)
11h15 – 11h45 MRI of porous media - Fernando Fernandes Paiva (USP, Brazil)
11h45 – 12h Patient-specific steady-state CFD in healthy cerebral arteries using MRI: analysis with ASL CBF - Gustavo Solcia (USP, Brazil)
12h – 12h15 Doing NMR and NQR outside the box - Tito José Bonagamba (USP, Brazil)
12h15 – 12h45 Sponsor's Lecture 03
Chair: Fernando Fernandes Paiva (USP, Brazil)
The importance of crossover between academy and industry for the advances of TD-NMR and NMR spectroscopy practical applications
Daniel Martelozo Consalter (Fine Instrument Technology, Brazil) and Donald Bouchard (Alegre Science Inc., USA)
12h45 – 14h15 Lunch
14h15 – 18h00 Free time
18h00 – 23h00 Confraternization at Bar da Alcione
September 28th, 2023
9h – 9h45 Plenary Lecture 04
Chair: Marcos de Oliveira Junior (USP, Brazil)
Magnetic Resonance of the rare earths: experimental results and applications to structural studies of rare-earthed doped glasses
Hellmut Eckert (USP, Brazil)
9h45 – 10h15 Coffee Break
10h15 – 12h15 Symposium 04: Small Molecules/Computational Methods
Chair: Andersson Barison (UFPR, Brazil)
10h15 – 10h45 Beyond the spectrum: exploring the hidden information in NMR chemical shifts - Renan Vidal Viesser (University of Houston, USA)
10h45 – 11h15 Use of python for visualization and processing of NMR spectra - Alvicler Magalhães (UFRJ, Brazil)
11h15 – 11h45 How is NMR helping the Brazilian Federal Police in criminal investigation? - Ricardo de Oliveira Mascarenhas (Federal Police, Brazil)
11h45 – 12h LC-SPE-NMR as a powerful tool to isolate minoritary diterpenoids from Vellozia pyrantha - Luiz Augusto Figueiredo Ribeiro (UFBA, Brazil)
12h – 12h15 Relaxing Time: a T1 study for heteronuclei - João Pedro Brussolo da Silva (UNICAMP, Brazil)
12h15 – 12h45 Sponsor's Lecture 04
Chair: Andersson Barison (UFPR, Brazil)
Analyzing production samples with benchtop NMR
Ernesto Rezende Souza (Quantum Design Latin America)
12h45 – 14h15 Lunch
14h15 – 16h15 Symposium 05: Biological NMR/Metabolomics
Chair: Luzineide Wanderley Tinoco (UFRJ, Brazil)
14h15 – 14h45 Integrated approach for high-confidence compound identification: combining DAFdiscovery with NMRfilter - Ricardo Moreira Borges (UFRJ, Brazil)
14h45 – 15h15 Characterization of metabolic constituents of Biofluids by NMR for clinical applications - Beatriz Jimenez (Imperial College London, UK)
15h15 – 15h45 Transient diffusive protein-protein interactions in live cells – functional optimization on meso- and microscopic levels - Jens Danielsson (Stockholm University, Sweden)
15h45 – 16h Balancing promiscuity and selectivity - determining factors governing G-protein selectivity and efficacy for the adenosine A2A receptor - Louis-Philippe Picard (University of Toronto, Canada)
16h – 16h15 Insights on venous thromboembolism and antiphospholipid antibody syndrome by NMR - Ljubica Tasic (UNICAMP, Brazil)
16h15 – 16h45 Coffee Break
16h45 – 17h30 Plenary Lecture 05
Chair: Marcos Batista Machado (UFAM, Brazil)
Multidisciplinary analysis of structurally complex natural products
Roberto Gomes de Souza Berlinck (USP, Brazil)
17h30 – 18h30 General Assembly
18h30 – 19h Sponsor's Lecture 05
Chair: Marcos Batista Machado (UFAM, Brazil)
Magnetic field-cycling in NMR: the relevance of the time-scale NMR relaxometry
Esteban Anoardo (National University of Córdoba)
19h – 21h Poster Session 02 (EVEN NUMBER ABSTRACTS)
September 29th, 2023
9h – 9h45 Plenary Lecture 06
Chair: Donald Bouchard (Alegre Science Inc., USA)
Improving the resolution of and scope of problems available to low field NMR
Mathew Augustine (University of California Davis, USA)
9h45 – 10h15 Coffee Break
10h15 – 12h15 Symposium 06: NMR in Latin America
Chair: Tito José Bonagamba (USP, Brazil)
10h15 – 10h45 The influence of alkanes non-negligible interaction with silica mesopores on self-diffusivity: insights combining NMR experiments and first-principle calculations - María Belén Franzoni (National University of Córdoba, Argentina)
10h45 – 11h15 Quantum sensing for advancing in quantitative Magnetic Resonance Imaging techniques - Analia Zwick (Bariloche Atomic Center, Argentina)
11h15 – 11h45 Quantitative MRI techniques in clinical research: from in vivo to postmorten MRI - Maria Concepción García Otaduy (USP, Brazil)
11h45 – 12h Combination of 1H time domain NMR, 13C solid-state NMR and infrared spectroscopies as a tool for elucidating degradation mechanisms in constructing polymers - Marina Perassolli de Lázari (USP, Brazil)
12h – 12h15 The use of 19F-NMR as a probe to measure inter-domain dynamics and regulation of Grb2 activity - Aléxia Santos Silva Valadares (UFRJ, Brazil)
12h15 – 13h15 Closing Ceremony
