Programme
| 10:00 – 12:00 ROOM 0C |
JEOL BREAKFAST SYMPOSIUM |
| 12:00 – 16:00 ROOM 0D |
BRUKER LUNCH SYMPOSIUM
|
| 14:00 – 19:00 | REGISTRATION |
| 16:00 – 19:00 ROOM 0B |
OPENING & PRIZE SESSION |
| 19:30 EXHIBITION AREA |
WELCOME RECEPTION |
| 08:45 – 19:00 | REGISTRATION |
| 08:45 – 10:15 ROOM 0B |
PLENARY 1 & 2
Chair: Oscar Millet, CIC bioGUNE PL001: Solution NMR Provides the Missing Link to Understand Function in Large Complexes PL002: Heme proteins at the interface – EPR as a tool to investigate hybrids of proteins and metal oxides for biosensing |
| 10:15 – 10:45 EXHIBITION AREA |
COFFEE BREAK |
| 10:45 – 12:45 ROOM 0B |
PARALLEL SESSION: NMR OF BIOLOGICAL SYSTEMS 1 Chair: Art Palmer, Columbia University INV001:Enzymatic regulation by a conformational equilibrium shift within a protein condensate PT-001: A well-balanced combination of order and disorder: The transient structural properties of the Rho GTPase nucleotide exchange inhibitor RhoGDI PT-002: Multivalent Dynamic Colocalization of Avian Influenza Polymerase and Nucleoprotein by Intrinsically Disordered ANP32A Reveals the Molecular Basis of Human Adaptation PT-003: A dynamic NMR view on the complex interactions of xylanase BcX and its substrate INV002: Dynamics of IDPs investigated using high-resolution relaxometry |
| 10:45 – 12:45 ROOM 0E |
PARALLEL SESSION: MATERIALS Chair: Luis Mafra, CICECO INV003: Molecular Recognition in Organic Mechanochemistry: Insights from Solid-State NMR Spectroscopy PT-004: Multinuclear MAS NMR Reveals Cation Disorder and Oxide Ion Diffusion Mechanism in Complex Oxides PT-005: How ultra-high field NMR spectroscopy can contribute to the design of advanced functional materials? FLASH: Proton Migration and Halide Ordering in Lead Halide Perovskites. FLASH: Unveiling Surface Secrets: Atomic-Scale Exploration of Lecithin-Capped Lead Halide Perovskite Nanocrystals Using Solid-State and DNP NMR Spectroscopy. FLASH: Uncovering the Dynamics of CO2 Adsorption in Covalent Organic Frameworks Using Solid-State NMR and molecular dynamics. INV004: NMR Crystallography on Pharmaceutical Cocrystals |
| 10:45 – 12:45 ROOM 0D |
PARALLEL SESSION: MRI 1 Chair: Stefen Gloeggler, Max Plank Institute for Multidisciplinary Sciences INV005: Diffusion MRI analog of NMR relaxation dispersion and isotropic-anisotropic correlation PT-006: MRI4All: A Week-Long Hackathon for the Development of an Open-Source Ultra-Low-Field MRI System PT-007: Unbeatable super-resolution of voxel-based MR spectroscopy of zebrafish brain achieved at 28.2 T PT-008: Optical Widefield Nuclear Magnetic Resonance Microscopy INV006: Advances in MR Metabolic Imaging – Towards Clinical Translation |
| 12:45-13:45 EXHIBITION AREA |
LUNCH AND SPONSORED SYMPOSIUMS |
| 13:45 – 15:45 POSTER AREA |
POSTER SESSION
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| 15:45 – 17:45 ROOM 0B |
PARALLEL SESSION: NMR OF BIOSOLIDS 1 Chair: Joanna Long, UFHealth INV007: Nanodiscs for NMR based Structural Studies of Membrane Proteins PT-009:Unveiling Rare Phosphonate Modifications in Velvet Worm Slime through NMR and DNP PT-010: Nonsecular Resonances revealed by Fast-field-cycling NMR in CaF2 PT-011: Structure and kinetics of E22G Aβ40 fibrils illuminate how Aβ40 rather than Aβ42 can trigger familial Alzheimer’s INV008: An Efficient means for heteronuclear (1H-14N) magnetization transfer enabling measurement of 14N spin-lattice relaxation constant at fast magic angle spinning |
| 15:45 – 17:45 ROOM 0E |
PARALLEL SESSION: COMPUTATION Chair: Anna Zawadzka-Kazimierczuk, University of Warsaw INV009: Optimal control and visualization of quantum dynamics in NMR and beyond PT-012: Beyond traditional NMR data processing with AI PT-013: Exploring Water in Diphenylalanine Nanotubes: A Molecular Dynamics Perspective PT-014: Toward 4D protein structures: solution ensembles from a NOESY-based R-factor INV010: Characterizing Methyl Dynamics in HET-s(218-289) Fibrils with NMR and MD |
| 15:45 – 17:45 ROOM 0D |
PARALLEL SESSION: EPR 1 Chair: Marina Benatti, Max Plank Institute for Multidisciplinary Sciences INV011: The two faces of calmodulin measured by double electron electron resonance (DEER) EPR: the protein to study, and the model system to utilize PT-015: Exploring and extending the resolution limits of 19F ENDOR for distance measurements in proteins using high-spin Gd(III) labels PT-016: Improved excitation of electron-nuclear coherence with pulsed dynamic nuclear polarization sequences PT-017: X-band single chip integrated pulsed electron spin resonance microsystem INV012: Water as Modulator of Electron Transfer and Activity in Biological Systems |
| 17:45 – 18:15 EXHIBITION AREA |
COFFEE BREAK |
| 18:15 – 19:00 ROOM 0B |
PLENARY 3 Chair: Christian Bonhomme, Sorbonne University PL003: Applications of Magnetic Resonance to Porous Materials: From Mesoporous Catalysts to Packed-Bed Reactors |
| 19:00 ITSASMUSEUM |
BRUKER NIGHT |
| 08:45 – 19:00 | REGISTRATION |
| 08:45 – 10:15 ROOM 0B |
PLENARY 4&5
Chair: Anne Lesage, ENS, Lyon PL004: New insight into food, digestion and physiology using NMR technology PL005: Solid-State NMR Analysis of Fungal Cell Wall: The Carbohydrate Armor Resisting Antifungals |
| 10:15 – 10:45 EXHIBITION AREA |
COFFEE BREAK |
| 10:45 – 12:45 ROOM 0B |
PARALLEL SESSION: NMR METHODOLOGY 1 Chair: Flemming Hansen, UCL INV013: Co-solute paramagnetic relaxation (sPRE) to study dynamic molecular interactions PT-018: Optimal control pulses for improving filtered NOESY experiments PT-019: High-Intensity Light NMR: Unraveling Details in Photo-Induced Reactions FLASH: Fully Automated Characterization of Protein–Ligand Binding by Microfluidic 2D NMR. FLASH: Accelerating the Structural and Thermodynamics Characterisation of Low Affinity Protein-Ligand Interactions – A Computationally-Assisted STD NMR Toolkit . FLASH: Full droplet characterization of RNA/protein condensates by diffusion NMR. FLASH: Nuclear Magnetic Resonance Spectroscopy of Chiral Molecules in an Electric Field. INV014: Playing RASGADO (RApid-Scan with GApped excitation with Dual-mode Operation), savoring DONUT (DOuble NUTation), and having fun on a VACATION (VAriable Coil Angle Test Informing Orientation in NQR). |
| 10:45 – 12:45 ROOM 0E |
PARALLEL SESSION: HYPERPOLARIZATION 1 Chair: Thomas Prisner, Goethe University Frankfurt INV15: Endogenous Dynamic Nuclear Polarization Solid State NMR Spectroscopy for Investigating Buried Interfaces PT-020: Time Domain Magic Angle Spinning Dynamic Nuclear Polarization Combined with Electron Decoupling PT-021: Exchange Mediated Overhauser Dynamic Nuclear Polarization PT-022: Solution-State NMR signal enhancement of small molecules via intermolecular cross relaxation from PHIP polarized source molecules INV016: HP-pyruvate by means of h-[PHIP] for metabolic investigations in cells and in-vivo. |
| 10:45 – 12:45 ROOM 0D |
PARALLEL SESSION: HARDWARE Chair: Michael Tayler, ICFO INV017: MRI of Plant Roots in the Greenhouse PT-023: Optical Chopper for LOngitudinal-Detected (LOD) EPR PT-024: Beta-NMR measurements on short-lived radioactive isotopes at CERN – for applications in nuclear physics, chemistry, and materials science PT-025: Magnetic Susceptibility Modeling of Magic-Angle Spinning Modules for Part Per Billion Scale Field Homogeneity INV018: Multinuclear Multidimensional NMR 19F-photo-CIDNP in a microfluidic chip with an untuned microcoil |
| 12:45-13:45 EXHIBITION AREA |
LUNCH AND SPONSORED SYMPOSIUMS |
| 13:45 – 15:45 POSTER AREA |
POSTER SESSION
|
| 15:45 – 17:45 ROOM 0E |
TUTORIALS Tutorial #1: NMR based metabolomics. Tutorial #2: NMR of intrinsically disordered proteins.
Miquel Pons, Univeristat de Barcelona. |
| 17:45 – 18:15 EXHIBITION AREA |
COFFEE BREAK |
| 18:15 – 19:00 ROOM 0B |
PLENARY 6 Chair: Frans Mulder, Johanes Keppler Universität, Linz PL006: The spinhub project: towards an NMR ‘Krios’ |
| 08:45 – 19:00 | REGISTRATION |
| 08:45 – 10:15 ROOM 0B |
PLENARY 7&8
Chair: Jesús Jiménez-Barbero, CIC bioGUNE PL007: Structural Characterization of Inorganic Materials by Sensitivity-Enhanced Solid-State NMR Spectroscopy PL008: Protein stability in living cells & under crowded conditions in vitro |
| 10:15 – 10:45 EXHIBITION AREA |
COFFEE BREAK |
| 10:45 – 12:45 ROOM 0B |
PARALLEL SESSION: NMR OF BIOLOGICAL SYSTEMS 2 Chair: José Martins, Ghent University INV019: Cracking Nature’s Recipes to Design Lipid-Targeting Antibiotics PT-026: Combined novel NMR-, AlphaFold- and MD-based approach reveals a key role of interdomain motions for understanding allostery in MALT1 PT-027: A Deterministic Analysis on the Effect of Cell Number, Membrane Transporters and Kinetic Rates on Hyperpolarised NMR FLASH: NMR-guided design of antiviral small molecules targeting the SARS-CoV-2 pseudoknot. FLASH: 13C-methyl methionine provides insight into the natural and drug-mediated regulation of the 60 kDa full length myristoylated Src. FLASH: Hydraulic Activation of AsLOV2 Revealed by EPR and NMR Studies. FLASH: Structural Insights into the recognition of cancer-associated glycoprotein CD24 by Siglec-10 receptor. INV020: Selective targeting of an intrinsically disordered domain by a drug-like small molecule |
| 10:45 – 12:45 ROOM 0E |
PARALLEL SESSION: NMR OF SMALL MOLECULES 1 Chair: Jesús Angulo, IIQ-CSIC INV021: 13C and 19F probes to monitor glycan – protein interactions. PT-028: Insights into the self-assembled crystalline phases of fampridine hydrochloride by multinuclear NMR in liquid and solid-state PT-029: Multi-way analysis of diffusion NMR data for the monitoring of a click chemistry reaction PT-030: 6JFH coupling in the conformational analysis of fluorinated drugs INV022: Characterising Weak Interactions in Dilute Solutions |
| 10:45 – 12:45 ROOM 0D |
PARALLEL SESSION: EPR 2 Chair: John Morton, UCL INV023: Detecting single erbium ion ESR by microwave photon counting PT-167: Structural and mechanistic insights into single-atom catalysts through EPR. PT-032: Revealing the Nanostructure of Ionic Liquids by Combined Pulsed EPR and Paramagnetic Relaxation Enhancement NMR Spectroscopy PT-033: Generation and transfer of long-lived electron spin polarization in peptide bridged porphyrin-radical conjugates INV024: Interplay of electron spin and photophysics in luminescent organic radicals |
| 12:45-13:45 EXHIBITION AREA |
LUNCH AND MAGRITEK SYMPOSIUM |
| 13:45 – 15:45 POSTER AREA |
POSTER SESSION
|
| 15:45 – 17:45 ROOM 0B |
PARALLEL SESSION: NMR METHODOLOGY 2 Chair: Bernhard Brutscher, IBS PT-034: Studying micro to millisecond protein dynamics using simple amide 15N CEST experiments supplemented with major‑state R2 and visible peak‑position constraints PT-035: Looking at complex dynamical processes in RNA using site specific insertion of 19F probes FLASH: Optimal control pulses for improving filtered NOESY experiments. FLASH: Applications of real-time band-selective pure shift in 1H-15N HSQC experiments for 15N-labelled proteins. FLASH: Determining the Physico-Chemical Composition of Biomolecular Condensates from Spatially-Resolved NMR. FLASH: Backbone assignment of an isotopically diluted 13C,15N-labelled fibrillar protein using the CPMAS cryoprobe in solid-state NMR. INV026: Advances in Solution NMR Spectroscopy of Paramagnetic Metal Complexes |
| 15:45 – 17:45 ROOM 0E |
PARALLEL SESSION: BENCHTOP NMR Chair: Patrick Giraudeau, Université de Nantes INV027: Parahydrogen-enhanced benchtop NMR spectroscopy for analytical applications PT-036: Boosting 1H and 13C NMR signals by orders of magnitude using DNP on a bench PT-037: Ultralow-field NMR for direct nondestructive observation of electrolyte composition and degradation through battery housing PT-038: Phase separations and preferential adsorption of binary fluids in mesoporous materials – a relaxation and diffusion study PT-104: 7 Tesla Magic Angle Spinning Pulsed EPR. |
| 15:45 – 17:45 ROOM 0D |
PARALLEL SESSION: NMR IN DRUG DISCOVERY Chair: Robert Konrat, Universität Wien INV028: Insights into the gelation mechanism of hydrogels for tissue engineering and drug delivery through an NMR potpourri PT-039: On-cell Saturation Transfer Difference NMR of ion channels to provide NMR validated 3D molecular models of two antagonists as bound to P2X7 receptor PT-040: Ultrafast Fragment Screening by Fluorine NMR using Photoinduced Hyperpolarization FLASH: High Resolution 2D HSQC Measures Intact Glycan Structure and Composition of Therapeutic Monoclonal Antibodies at 13C Natural Abundance. FLASH: Design of pharmacological chaperones targeting FAH for the treatment of Tyrosinemia type 1. FLASH: In vitro and In-cell recognition of Quadruplex-duplex hybrids: conformation, folding, and recognition by drug-like ligand molecule. INV29: The Molecular Chaperone SlyD: From Basic Research to Marketed Pharmaceutical Product |
| 17:45 – 18:15 EXHIBITION AREA |
COFFEE BREAK |
| 18:15 – 19:00 ROOM 0B |
PLENARY 9 Chair: Matthias Ernst, ETH PL009: Ultrafast Laplace NMR for sustainability |
| 20:30 GUGGENHEIM MUSEUM |
GALA COCKTAIL |
| 08:45 – 19:00 | REGISTRATION |
| 08:45 – 10:15 ROOM 0B |
PLENARY 10&11
Chair: Miquel Pons, Universitat de Barcelona PL010: NMR in Post-Structural Biology PL011: NMR in Photo- and Organocatalysis – Pushing the Limits |
| 10:15 – 10:45 EXHIBITION AREA |
COFFEE BREAK |
| 10:45 – 12:45 ROOM 0B |
PARALLEL SESSION: IN CELL NMR Chair: Gary Pielak, University of North Carolina INV030: Multi-target ligand binding assay in human cells by real-time in-cell 19F NMR PT-042: Monitoring Drug-Protein Interactions in the Bacterial Periplasm by Solution Nuclear Magnetic Resonance Spectroscopy PT-043: 19F Dynamic Nuclear Polarization: A Powerful Tool for Protein Structural Biology in Mammalian Cells PT-044: Characterizing protein structure and interactions in living human cells synchronized in defined physiological states using NMR spectroscopy INV031: Towards single-cell NMR spectroscopy with quantum sensors in diamond |
| 10:45 – 12:45 ROOM 0E |
PARALLEL SESSION: HYPERPOLARIZATION 2 Chair: Geoffrey Bodenhausen, ENS INV032: Moving Beyond 13C-Pyruvate Imaging with Parahydrogen Enhanced Contrast Agents PT-045: One- and two-dimensional liquid-state nuclear magnetic resonance enhanced by Overhauser effect dynamic nuclear polarization PT-046: High dynamic nuclear polarization of 13C spins using P1 clusters in diamonds under magic angle spinning from 35 K to room temperature at 14 T FLASH: Unravelling Hyperpolarization Pathways in Strongly Coupled Bisnitroxides: Implications for MAS DNP NMR. FLASH: Long-Lived Coherences in the Direct Dimension: Hyperpolarized Persistent Oscillations. FLASH: Maximising relayed 1H hyperpolarization transfer by slow-fast MAS. FLASH: A Comprehensive Process for Hyperpolarized 1-13C Pyruvate using PHIP-SAH. INV033:The crucial requirements for enabling the assessment of cellular metabolism in vivo with hyperpolarized 13C MR |
| 10:45 – 12:45 ROOM 0D |
PARALLEL SESSION: NMR OF SMALL MOLECULES 2 Chair: Ignacio alfonso, IQAC-CSIC INV034: Carbohydrates as keywords in the molecular dialogue: an NMR perspective PT-047: The Many Faces of Rhodium NMR: from the Chemistry of Catalysts, to the Physics of Nuclear Singlet States and Molecular Parity Violation PT-048: Isotope Shifts, Geometric Double-Quantum Excitation, and Singlet NMR PT-049: Application of a novel triphenylphosphine-bearing alignment medium to elucidate the structures of pharmaceutically relevant organic compounds INV035: Lead Generation without an X-Ray Crystal Structure: An NMR Method to Probe Protein-Ligand Complexes |
| 12:45-13:45 EXHIBITION AREA |
LUNCH AND SPONSORED SYMPOSIUMS |
| 13:45 – 15:45 ROOM 0B |
PARALLEL SESSION: NMR OF BIOSOLIDS 2 Chair: Douglas Laurents, IQFR-CSIC INV036: Alternative structure of teixobactin-lipid II complex PT-050: Uncovering the distribution of motion in POPC membranes by temperature dependent detector analysis PT-051: Investigating the localization of the disordered C-terminal Domain of the Hepatitis B Virus Capsid using Paramagnetic solid-state NMR PT-052: A Purely Experimental Approach for the Prediction of NMR Shifts in Paramagnetic Inorganic Solids INV037: Seeing double: the persistent dimer-of-dimers structure of drug resistant influenza A M2 |
| 13:45 – 15:45 ROOM 0E |
PARALLEL SESSION: METABOLOMICS Chair: Claudio Luchinat, CERM INV038:Is NMR ready for medical applications? PT-053: NMR assay for a rapid detection of Pyrazinamide resistance in Mycobacterium tuberculosis from patients Sputum Samples and absolute Metabolite Quantification by Pure Shift NMR PT-054: A Versatile Microfluidic Platform for in situ Metabolomics of in vitro Models FLASH: Innovative Solutions for Pediatric Tuberculosis Diagnosis: Exploring Benchtop NMR Metabolic Fingerprinting. FLASH: Quantitative NMR of blood and cerebrospinal fluid elucidates cognitive and sex-specific alterations of metabolites and lipoproteins in Alzheimer’s disease patients. FLASH: Exploring the Chrysochromulina rotalis Metabolic Landscape Under Various Indoor and Outdoor Photobioreactor Conditions. FLASH: Gut in tube – continuous measurement of metabolic crosstalk between gut microbiota and colonocytes by NMR imaging. INV039: From biological exploration to clinical translation: Lipoproteins in Inflammation |
| 13:45 – 15:45 ROOM 0D |
PARALLEL SESSION: MRI 2 Chair: Melanie Britton, University of Birmingham INV040: Innovative Nanoparticle-based Contrast Agents for Theranostic MRI PT-055: Boosting Resolution and Sensitivity for Operando NMR and MRI Studies PT-056: Accelerated screening of protein-ligand interactions via parallel T2-weighted 19F-MRI PT-057: Turbulent flow in 3D-printed triply periodic minimal surface porous media: Cross-validation between imaging and simulations INV041: Can radioactive waste escape? Novel use of deuterium μ-MRI to track fluid migration through barrier materials |
| 15:45 – 16:15 EXHIBITION AREA |
COFFEE BREAK |
| 16:15 – 19:00 ROOM 0B |
CLOSING CEREMONY AND PRIZES AMPERE Chair Closing remarks, Anja Bockmann PLENARY 12 Chair: Ayyalusamy Ramamoorthy, Florida State University PL 12: EPR methods to unravel nucleic acid dynamics and structure |
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