XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 1st Nov 2024, 01:59:53am CET
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Session Overview |
Date: Thursday, 19/Aug/2021 | ||||||||
9:00am - 9:50am |
KN-22: Record High superconductivity in sodalite-like rare-earth hydrides stabilized at high pressures Location: Terrace 2A Chair: Arthur Haozhe Liu Yanming Ma Clathrate Superhydrides Under High Pressure Conditions: A Class of Extraordinarily Hot Conventional Superconductors |
KN-23: Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging Location: Terrace 2B Chair: Juan Manuel Garcia-Ruiz Virginie Chamard Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging approaches |
KN-24: Regulation of gene expression by transcription factors and RNA-binding proteins Location: Club A Chair: Pavlína Řezáčová Udo Heinemann Regulation of gene expression by transcription factors and RNA-binding proteins |
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9:50am - 10:20am |
Morning break 5: Posters, coffee/tea Location: Exhibition and poster area |
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10:20am - 12:45pm |
MS-57: Neutron scattering - sources, applications Location: Terrace 2B Chair: Matthew Paul Blakeley Chair: Flora Meilleur Chair: Esko Oksanen Invited: Gloria Borgstahl (USA), Svetlana Antonyuk (UK) Introduction to session 10:25am - 10:55am Direct detection of concerted proton and electron transfer in human manganese superoxide dismutase 10:55am - 11:25am Damage-free structures of green copper nitrite reductase obtained by neutron crystallography and XFEL 11:25am - 11:45am Modelling and refinement of hydrogens: new developments in CCP4 11:45am - 12:05pm Finding the Goldilocks zone for chemical crystallography via Laue single-crystal neutron diffraction – what have we learned from KOALA to improve KOALA 2.0? 12:05pm - 12:25pm An automatised hydrogen orientation procedure for neutron protein crystallography 12:25pm - 12:50pm Amplifying hydrogen: neutron diffraction using Dynamic Nuclear Polarization |
MS-58: Ultra-high resolution macromolecular crystallography and quantum biocrystallography Location: Club A Chair: Christian Jelsch Chair: Alexander Wlodawer Invited: Paulina Dominiak (Poland), Maciej Kubicki (Poland) Introduction to session 10:25am - 10:55am Experimental studies of the details of electron density distribution in a Z-DNA hexamer: new insights, new problems 10:55am - 11:25am Moving quantum crystallography from sub-atomic XRD to near-atomic 3D ED 11:25am - 11:50am Principles of the mechanism of interfacial activation of a lipase: open and closed states and lipid – enzyme interactions in the limbus region of Candida antarctica Lipase B 11:50am - 12:15pm Investigating the redox cycle of tryparedoxin at ultra-high resolution 12:15pm - 12:40pm Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors |
MS-59: Crystal chemistry with emerging technology I Location: Terrace 2A Chair: Consiglia Tedesco Chair: Toru Asahi Invited: Sota Sato (Japan), Marijana Dakovic (Croatia) Introduction to session 10:25am - 10:55am Functional crystalline materials based on macrocyclic nanochannels 10:55am - 11:25am Variable adaptability of coordination polymers of cadmuim(II) to external mechanical stimuli 11:25am - 11:45am In situ photoswitching of spirorhodamines isomers in solid-state 11:45am - 12:05pm The pancake-bonding of semiquinone radicals under variable pressure and temperature conditions. 12:05pm - 12:25pm Structural chemistry of azulenes 12:25pm - 12:45pm Understanding the role of non-covalent interactions in the acridine with different acids of salt molecules |
MS-60: Composite and incommensurate modulated crystals: structural and physical properties Location: Club B Chair: Sylvain Ravy Chair: Sander van Smaalen Invited: Stephan J. Skinner (UK), Vincent Jacques (France) Introduction to session 10:25am - 10:55am Investigating the modulated structures in the La(Nb,W)O4+d family of oxide ion conductors 10:55am - 11:25am Revealing pinning and solitonic transport of sliding charge-density-waves by coherent and nano-XRD 11:25am - 11:45am Polytelluride Anions in Deficient RETe2–δ Structures – Superstructures and Bonding Analysis 11:45am - 12:05pm Hysteretic structural changes within five-layered modulated 10M martensites of Ni-Mn-Ga(-Fe) 12:05pm - 12:25pm The interplay of framework instability and electron-phonon coupling in a CDW system, the monophosphate tungsten bronze family. 12:25pm - 12:45pm Ba10Y6Ti4O27 an aperiodic oxide with an unusually low thermal conductivity. |
MS-61: Magnetic structures at extreme conditions and in extreme samples Location: Club D Chair: Angel M. Arevalo-Lopez Chair: Andrzej Katrusiak Invited: Elena Solana-Madruga (UK), Dawid Pinkowicz (Poland) Introduction to session 10:25am - 10:55am Complex magnetic structures in frustrated A-site manganites 10:55am - 11:25am High pressure effects in molecular magnetic materials with cyanide bridges 11:25am - 11:45am Crystal and magnetic structures of the high pressure RMnMnTaO6 (R = Rare earth) double (double) perovskites 11:45am - 12:05pm Pb2NiOsO6: antiferromagnetic order breaks inversion symmetry in high pressure perovskite 12:05pm - 12:25pm High Pressure Diffraction on Single Crystals with Hot Neutrons at MLZ 12:25pm - 12:45pm Magnetic phase diagram of the high-temperature spiral magnet YBaCuFeO5 |
MS-62: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Location: Club C Chair: Juan Manuel Garcia-Ruiz Chair: Giuseppe Falini Invited: Boaz Pokroy (Israel), Abel Moreno (Mexiko) Introduction to session 10:25am - 10:55am Incoporation of amino acids into inorganic crystalline hosts: from biomineralization to bio-Inspired band gap engineering 10:55am - 11:25am The role of intramineral proteins involved into the biomineralization of calcium carbonate in eggshells formation. Implications to the dinosaurs´ extinction 11:25am - 11:45am Crystal texture of mineral self-organized structures from soda lake water and their implication to early Earth and prebiotic chemistry 11:45am - 12:05pm Structure and properties of coralline red alga: from helical configuration to alternating layers 12:05pm - 12:25pm Non-destructive 3D orientational mapping of bone using diffractive X-ray tomography |
MS-63: Catalysis: functionalized materials studied by XRD and XAFS Location: 223-4 Chair: Valérie Briois Chair: Andreas Roodt Invited: Elisa Borfecchia (Italy), Ola F Wendt (Sweden) Introduction to session 10:25am - 10:55am Heterogenization of molecular catalysts: C–H activation and dehydrogenation 10:55am - 11:25am Understanding local structure and redox chemistry of metal ions in nanoporous catalysts by X-ray absorption spectroscopy 11:25am - 11:45am XAS and XRD analysis of active Pt and Pd sites in metal-organic framework UiO-67 11:45am - 12:05pm Structural dynamics of nanoalloy catalysts for Fuel Cells by in situ total x-ray scattering 12:05pm - 12:25pm The Hopeful Journey Towards Successful Tailoring Of Water (In)Soluble Cobalt Analogues As Potential Water Splitting Catalysts. 12:25pm - 12:45pm Structural and bandgap modification of KLaTiO4 hydrogen evolution catalyst |
MS-64: In-situ and time resolved electron crystallography Location: Club H Chair: Andrew Alexander Stewart Chair: Eva Olsson Invited: David Flannigan (USA), Maria Batuk (Belgium) Introduction to session 10:25am - 10:55am Following structure evolution of SrFeOx in redox reactions using in situ 3D electron diffraction 10:55am - 11:25am Time-resolved TEM beyond fast detectors 11:25am - 11:50am Time resolved x-ray diffraction studies of prospective crystalline materials under dynamic ultrasonic loads 11:50am - 12:15pm Discovering and transforming precipitate phases in aluminium alloys using in situ transmission electron microscopy 12:15pm - 12:40pm Elucidation of Linker Motion in Metal-Organic Frameworks by Three-Dimensional Electron Diffraction |
12:45pm - 2:45pm |
Lunch 5: Posters, lunches Location: Exhibition and poster area |
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1:00pm - 2:30pm |
ECA - GIG-1: ECA - GIG-1 Young Crystallographers Location: Club A |
ECA - SIG-12: ECA - SIG-12 Crystallography of Functional Materials Location: 223-4 |
ECA - SIG-1: ECA - SIG-1 Macromolecular Crystallography Location: Club D |
ECA - SIG-3: ECA - SIG-3 Aperiodic Crystals Location: virtual |
ECA - SIG-5: ECA - SIG-5 Mineral and Inorganic Crystallography Location: Club B SIG - 5 |
ECA - SIG-6: ECA - SIG-6 Instrumentation and Experiment Location: Club C |
Meeting - Quantum: Commission on Quantum Crystallography Open Meeting Location: Club H Chair: Paulina Maria Dominiak |
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1:45pm - 2:45pm |
ECA - SIG-4: ECA - SIG-4 Electron Crystallography Location: 221-2 |
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2:00pm - 2:45pm |
ECA - GIG-3: ECA - GIG-3 Education in Crystallography Location: virtual |
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2:45pm - 5:10pm |
MS-65: Graphs, tilings and crystal structures Location: Club D Chair: Mark Loyola Chair: Bernd Souvignier Invited: Vladislav A. Blatov (Russia), Jean-Guillaume Eon (Brazil) Introduction to session 2:50pm - 3:20pm Perceiving zeolite self-assembly within the natural tiling model 3:20pm - 3:50pm Combinatorial aspects of Löwenstein’s rule 3:50pm - 4:15pm Layer Groups associated with 3-way 3-fold isonemal fabrics 4:15pm - 4:40pm A unique and continuous code of all periodic crystals 4:40pm - 5:05pm Synthesis of magnetically frustrated oxides with double perovskite structure |
MS-66: Integrative structural biology: The next 50 years of the Protein Data Bank Location: Club H Chair: Stephen K. Burley Chair: Dina Schneidman Invited: Andrej Sali (USA), Fei Xu (China) Introduction to session 2:50pm - 3:20pm Crystal structure of the first orphan GPCR 3:20pm - 3:50pm From integrative structural biology to cell biology 3:50pm - 4:10pm Crystal and Cryo-EM structures provide insight into how pro-neurodegenerative SARM1 is activated and cleave NAD+. 4:10pm - 4:30pm Structural studies of Cysteine Synthase Complex obtained from Klebsiella pneumoniae. 4:30pm - 4:50pm Crystal structure of a complex between the electron-transfer partners arsenite oxidase and cytochrome c552, from the arsenite respiring bacterium Rhizobium sp. NT-26. 4:50pm - 5:10pm Structural evidence for active site complementation and diverse oligomerization in two bacterial α-L-Fucosidases from the same organism |
MS-67: Crystallization mechanisms of small molecule systems Location: Terrace 2B Chair: Duane Choquesillo-Lazarte Invited: Ian Rosbottom (UK), Aurora Cruz-Cabeza (UK) Introduction to session 2:50pm - 3:20pm CAN MOLECULAR FLEXIBILITY CONTROL CRYSTALLISATION? 3:20pm - 3:50pm Molecular, Solid-State and Surface Structures of the Conformational Polymorphic Forms of Ritonavir in Relation to their Physicochemical Properties 3:50pm - 4:10pm Bridging the nucleation step – the link of molecular interactions in dilute solutions and the crystal structure 4:10pm - 4:30pm Controlling polymorphism of pharmaceutical cocrystals via polymer assisted cocrystallization in continuous processes 4:30pm - 4:50pm Crystallization of anionic small molecules with the help of a cation screen 4:50pm - 5:10pm The Future of Co-crystallisation: A New Workflow Based on AI Predictions, the Crystal16 Platform and Electron Diffraction |
MS-68: Symmetry aspects of magnetic order and magnetic properties Location: Club B Chair: Mois Ilia Aroyo Chair: Margarida Henriques Invited: Laura Chaix (France), Fabio Orlandi (UK) Introduction to session 2:50pm - 3:20pm Ba3NbFe3Si2O14:a model system to study magnetic chirality 3:20pm - 3:50pm Peculiar commensurate spin density wave in CeAuSb2 under uniaxial stress 3:50pm - 4:10pm Absolute sign of the Dzyaloshinskii-Moriya interaction in weak ferromagnets disclosed by polarized neutron diffraction 4:10pm - 4:30pm Resonant x-ray scattering of magnetic anisotropy and orbital ordering in Ca2RuO4 4:30pm - 4:50pm Low-temperature magnetic state of Ho7Rh3 studied by neutron diffraction and ac magnetic susceptibility |
MS-69a: Complex crystal structures - chemical crystallography Location: Club A Chair: Marie Colmont Chair: Sergey V. Krivovichev Introduction to session 2:50pm - 3:15pm Tellurides with monovalent Ga and In – from chains to networks 3:15pm - 3:40pm Elucidation and quantification of the factors underlying bond-length variation in inorganic solids for the design of non-oxide materials with superior functional properties 3:40pm - 4:05pm Synthesis and investigation of the 4H and newly discovered 6H perovskite polymorphs of BaRhO3 between 7 – 22 GPa. 4:05pm - 4:30pm Enhancing the Chemical Flexibility of Hybrid Perovskites by Introducing Divalent Ligands 4:30pm - 4:55pm Temperature dependent structural studies of incommensurately modulated Rb2ZnCl4 |
MS-70: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Location: Club C Chair: Angelika Dorothea Rosa Chair: Ulf Zastrau Invited: Virginia Monteseguro (Spain, ESRF), Emma McBride (USA, SLAC) Introduction to session 2:50pm - 3:20pm Unveiling the structural and electronic interplay in 3d and 4f/5d compounds at high-pressure 3:20pm - 3:50pm Phase Transition Lowering and Melting in Dynamically-Compressed Silicon and Germanium at the LCLS 3:50pm - 4:05pm A new internally heated diamond anvil cell system for time resolved optical and x-ray measurements. 4:05pm - 4:20pm EMA beamline status and its XRD prospects 4:20pm - 4:35pm Fast EXAFS measurement in piezo-driven single-crystal monochromatization scheme 4:35pm - 4:50pm Unveiling the Structural Behavior under Pressure of Filled M0.5Co4Sb12 (M = K, Sr, La, Ce, and Yb) Thermoelectric Skutterudites 4:50pm - 5:05pm Towards higher densities of matter: ultra-high pre-compression in shock dynamic experiments |
MS-71a: Disordered materials: spectroscopic and scattering techniques I Location: Terrace 2A Chair: Simon Billinge Chair: Angela Trapananti Invited: Takeshi Egami (USA), Shinya Hosokawa (Japan) Introduction to session 2:50pm - 3:20pm What does the structure of liquid mean? 3:20pm - 3:50pm Hyper-ordered structures and glass-forming abilities of Pd-based metallic glasses 3:50pm - 4:10pm Introducing the Pair-Angle Distribution Function: many-atom statistics of crystals and disordered materials 4:10pm - 4:30pm Group 13 precursor structures and their effect on oxide nanocrystal formation 4:30pm - 4:50pm Extracting local symmetry of liquid metals from extended x-ray absorption fine structure using deep neural network 4:50pm - 5:10pm Disorder and dynamics of free and caged molecules in crystals |
MS-72: New methods and strategies in NMR crystallography - in Honour of Francis Taulelle Location: 223-4 Chair: Martin Dracinsky Chair: David Bryce Invited: Sharon Ashbrook (UK), Lyndon Emsley (Switzerland) Introduction to session 2:50pm - 3:20pm Investigating disorder in A2B2O7 ceramics for waste encapsulation using NMR crystallography 3:20pm - 3:50pm Structure determination of amorphous molecular solids by NMR crystallography 3:50pm - 4:05pm Anionic (dis)order and fluoride dynamics in complex transition metal oxyfluorides from NMR crystallography 4:05pm - 4:20pm NMR crystallography with microED 4:20pm - 4:35pm NMR-Assisted Crystallography: Imaging Active Site Chemistry with Protons 4:35pm - 4:50pm NMR assisted structure determination of coordination polymers 4:50pm - 5:05pm A Strategy for Determining the Atomic-Resolution Structure of Micro-/Nanocrystalline Composite Solids 5:05pm - 5:20pm A new NMR crystallographic protocol based on quadrupolar nuclei |
2:55pm - 5:55pm |
SF-5: Software Fayre 5 Location: 221-2 Chair: Martin Lutz Chair: Claudia Millán Scipion-ed for electron crystallography 3:40pm - 4:25pm ConPlot: web-based tool for the visualization of protein contact maps and distograms integrated with other data 4:25pm - 5:10pm Topological analysis with ToposPro and TopCryst 5:10pm - 5:55pm DISCUS Diffuse Scattering and Structure Simulation |
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5:10pm - 6:10pm |
Afternoon break 5: Poster session C1, coffee/tea Location: Exhibition and poster area |
Poster - 33 Chemical: Chemical crystallography
Poster session abstracts Structure-activity relationship of imidazo[4,-f]1,10-phenanthroline type ligands and their Rhenium(I) complexes-photoluminescence and DNA intercalation X-ray crystallography investigation of Iron-nucleotide ternary coordination complexes Exploring Structural Implications of diphosphinamine ligands in Medicine and Catalysis Thermos-responsive single-component organic materials: Iso-symmetric phase transition, polymorphism and negative thermal expansion Harnessing molecular rotations in plastic crystals: a holistic view for crystal engineering of adaptive soft materials New insights about chemical etching for revelation of spontaneous fission tracks in garnets Experimental Electron Density of Melamine Resolving P-stereogenic enantiomers at nonambient-conditions HoF(OH)2: A fluoride-containing holmium(III) hydroxide with UCl3-type crystal structure Crystallochemistry of Ni(II) complexes based on halogen derivatives of 8-hydroxyquinoline with different bridging of central atoms Zinc complexes with nitroderivatives of quinolin-8-ol Radiation decay of (ZnI2)3(tpt)2 crystal sponge Pr1.333[P2Se6]: A link between two non-isotypic relatives Synthesis, characterization and in vitro activities of aniline dithiocarbamate crystals Crystal structure of lead dinickel iron tris(orthophosphate): PbNi2Fe(PO4)3 Butterfly Effect: Tracing Shape Memory Effect and Elastic Bending in a Conformationally Flexible Organic Salt Nucleophile assisted carbon dioxide fixation for a cleaner environment Structure diversity of transition metal coordination compounds based on pyridine derivative co-ligands Molecular packing of mesogenic bicyclohexylnitrile compounds Three differently-colored polymorphs of a diketopirolopyrrole derivative having butyl groups Metastable disordered phase in flash-frozen Prussian Blue Analogues RHODIUM (I) N,O HYDROXAMIC ACID COMPLEXES AS MODEL CATALYSTS Syntheses and crystal structures of new ruthenium(II) organometallic compounds with NSAID type ligands Synthesis, phase characterization and crystal structure comparison of a self-made SmF2–SmFCl–SmFO mixture by XRD and EDX Polyoxometalate crystals exhibiting twinning by merohedry Predicting molecular isomerism of symmetrical and unsymmetrical N,N’-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, ∆Hfusion and ∆Sfusion determination From neutral to salt cocrystal development to gain superior performance of NSAIDs Hirshfeld Atom Refinement of crystal structure and Hirshfeld surface analysis of five copper(II) fenamate complexes with N,N-diethylnicotinamide. |
Poster - 34 Catalysis: Catalysis Chair: Valérie Briois Chair: Andreas Roodt
Poster session abstracts In-situ XRPD analysis of active carbon supported Co-Mo ammonia synthesis catalysts activation Dependence of wustite based iron catalyst crystallite size on ammonia synthesis reaction analysed by in-situ XRPD How does precipitation pH affect structural transformations during activation of Co-Mo catalyst? In situ XPRD study In-situ XRPD study of ammonolysis of cobalt-molybdenum ammonia synthesis catalysts with defined Co to Mo ratio Immobilization of tungsten trioxide on the surface of mesoporous silica: structural investigation of the role of crystalline water on photocatalyst stability. Detailed information about the core/shell/surface structure of palladium nanoparticles by combined in situ and operando X-ray absorption and diffraction data Evolution of Pd/CeO2 surface morphology in situ monitored by FTIR spectroscopy Crystal growth and structural studies of spinel ferrites |
Poster - 35 Modulated: Composite and Incommensurate Modulated Crystals Chair: Sander van Smaalen Chair: Sylvain Ravy
Poster session abstracts A novel, statistical approach for structure determination of modulated pathogenesis-related protein (Hyp-1) complex with ANS Incommensurately modulated structure - a means for increased luminescence efficiency in the solid state Successive transitions to modulated states in the {R}Pt2Si2family Local analysis of periodically modulated quasi-one-dimensional structures Dynamical Properties of the Incommensuratly Modulated Rb2ZnCl4 Phase High-temperature structural studies of d-AlCuRh – phasonic stabilization Dodecahedral Structures from D6 lattice Modulated molecular crystals: Incommensurate, high Zʹ forms and their variation as function of temperature and stress Crystal symmetry for incommensurate helical and cycloidal modulations Exploration of new quasicrystals and approximants by using machine learning |
Poster - 36 Disordered: Disordered materials Chair: Simon Billinge Chair: Angela Trapananti
Poster session abstracts Preferred orientation in modified clay/polymer composite films Surface sensitive x-ray spectroscopy (TREXS) for nanoscale surface study and multi-modal development Structural refinement of aqueous zirconium oxychloride using total scattering methods Disordering mechanism during Li-ion intercalation in nano-rutile TiO2 An anomalous diffraction study of Cu2Zn(Ge,Si)Se4 Spectroscopic and Pair Distribution Evidence for Hexamethylenetetramine (HMT) as Adsorbents and Absorbents of Nano-ceria The structure of bulk Al2O3 glass Structure of sustainable lead-free low-melting vanadate glass |
Poster - 37 Biomineralization: Biomineralization, advanced biomimetic materials Chair: Giuseppe Falini Chair: Juan Manuel Garcia-Ruiz
Poster session abstracts Ecomorphological, behavioural and physiological patterns in otoliths Rietveld and pair-distribution function analysis of nanogranular mesocrystalline shells of hyaline foraminifers Bio-complexes as supermolecules: towards the design of idealized peptide-based ligands Unique Mode(s) of Action of Ions on Calcium Oxalate Mineralization Antimicrobial nanolayered and nanofibrous metal phosphates for prospective biomedical applications Biomimetic Strategies for 4.0 V All-Solid-State Flexible Supercapacitor: Moving toward Eco-friendly, Safe, Aesthetic, and High-Performance Devices Crystal structure and SOD activity of a hybrid lysozyme including an amino acid Schiff base copper complex |
Poster - 38 Energy: Materials for energy conversion and storage Chair: Stefan Adams Chair: Jean-Marc Joubert
Poster session abstracts Hydrogen bonding in hybrid organic-inorganic perovskite materials Combined crystallochemical and quantum-chemical search for new high-valent chalcogen-containing ionic conductors Cation disorder in zinc-group IV- nitride and oxide nitride semiconductor materials revealed through neutron diffraction Crystal structure and Mössbauer studies of gallium iron borate single crystals Model construction of actuation performance of a photo-bending crystal using machine learning-based regression. Expanded chemistry and mixed ionic-electronic conductivity in vanadium-substituted variants of γ-Ba4Nb2O9 Environmentally Friendly Rhodium(I) Model Catalysts tailored by various bidentate and monodentate (water-soluble) ligand. Synthesis, characterization of high-temperature properties and evaluation of REBa2Cu3O6+δ (RE = La, Nd and Y) as cathode for Intermediate Temperature Solid Oxide Fuel Cells. Lattice disorder and oxygen migration pathways in pyrochlore and defect-fluorite oxides LiFe2-xInxSbO6 Oxides as Li-ion Cathode Materials Enigmatic Structure Property Behaviour in SOFC & SOEC electrolyte materials Time resolved structure analysis of vibrating gallium phosphate under alternating electric field Analysis of multi-layer thin film materials using benchtop XRD and XRF systems Exploring the magnetocaloric effect in the Ln(HCO2)(C2O4) family of Metal-Organic Frameworks Operando SAXS/WAXS studies for structure determination of energy storage materials using a unique electrochemical-scattering cell The role of Al3+, Dy3+ co-doping on the structure-property correlations in NASICON-type LiTi2(PO4)3 solid-state electrolytes |
Poster - 39 Neutrons: Neutron scattering Chair: Esko Oksanen Chair: Matthew Paul Blakeley Chair: Jiri Kulda
Poster session abstracts Identification of crystallographic planes of a polyhedral crystal at SENJU Upgrades of a TOF single-crystal neutron diffractometer SENJU for improvement of versatility Macromolecular Neutron Diffraction at the Heinz Maier-Leibnitz Zentrum Towards generalised diffraction integration software: neutron diffraction analysis in DIALS Toward elucidating the mechanism of lytic polysaccharide monooxygenases: Chemical insights from X-ray and neutron crystallography Application of machine learning and kernel density estimation for efficient data treatment on single crystal diffraction data Protein neutron diffraction experiment with dynamic nuclear polarization In search of anharmonic motion of H-atoms |
Poster - 40 NMR: NMR crystallography Chair: David Bryce Chair: Martin Dracinsky
Poster session abstracts Exploring zinc-terephthalate complexes through multi nuclear ssNMR and in-situ reaction monitoring by Raman spectroscopy Solid - State NMR Crystallography Analysis of Lorlatinib, an Active Pharmaceutical Ingredient |
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6:10pm - 7:00pm |
KN-25: A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process and the Discovery of Inhibitors Location: Club A Chair: Julie Bouckaert Glaucius Oliva A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process |
KN-26: Complexity in crystals and minerals Location: Terrace 2A Chair: Milan Rieder Sergey Krivovichev Natural polyoxometalates: diversity, complexity and divergence from synthetic chemistry |
KN-27: The crystal and the rose: On the impact of crystals and crystallography in art and mind Location: Terrace 2B Chair: Abel MORENO Juan Manuel García-Ruiz The crystal and the rose: On the impact of crystals and crystallography on arts and mind |
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7:10pm - 7:50pm |
PL-2: In situ and ex situ studies of battery materials with magnetic resonance and diffraction methods Location: Terrace 2A Chair: Juergen Senker Clare Grey In situ and ex situ studies of battery materials with magnetic resonance and diffraction methods |
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7:50pm - 10:15pm |
IUCr-3: IUCr assembly Location: Club H Chair: Sven Lidin Chair: Luc Van Meervelt Chair: Alex Ashcroft IUCr assembly 3 |
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