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).
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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 Plenary and keynote 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 Plenary and keynote 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 Plenary and keynote 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 Introduction to session 10:25am - 10:55am Biological and macromolecular crystallography Direct detection of concerted proton and electron transfer in human manganese superoxide dismutase 10:55am - 11:25am Biological and macromolecular crystallography Damage-free structures of green copper nitrite reductase obtained by neutron crystallography and XFEL 11:25am - 11:45am All topics Modelling and refinement of hydrogens: new developments in CCP4 11:45am - 12:05pm All topics 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 Biological and macromolecular crystallography An automatised hydrogen orientation procedure for neutron protein crystallography 12:25pm - 12:50pm Biological and macromolecular crystallography 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 Introduction to session 10:25am - 10:55am Biological and macromolecular crystallography Experimental studies of the details of electron density distribution in a Z-DNA hexamer: new insights, new problems 10:55am - 11:25am Biological and macromolecular crystallography Moving quantum crystallography from sub-atomic XRD to near-atomic 3D ED 11:25am - 11:50am Biological and macromolecular crystallography 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 Biological and macromolecular crystallography Investigating the redox cycle of tryparedoxin at ultra-high resolution 12:15pm - 12:40pm Biological and macromolecular crystallography 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 Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Functional crystalline materials based on macrocyclic nanochannels 10:55am - 11:25am Chemical crystallography, crystal structures Variable adaptability of coordination polymers of cadmuim(II) to external mechanical stimuli 11:25am - 11:45am Bursary application In situ photoswitching of spirorhodamines isomers in solid-state 11:45am - 12:05pm Chemical crystallography, crystal structures The pancake-bonding of semiquinone radicals under variable pressure and temperature conditions. 12:05pm - 12:25pm Chemical crystallography, crystal structures Structural chemistry of azulenes 12:25pm - 12:45pm Bursary application 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 Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Investigating the modulated structures in the La(Nb,W)O4+d family of oxide ion conductors 10:55am - 11:25am Physics and fundamental crystallography Revealing pinning and solitonic transport of sliding charge-density-waves by coherent and nano-XRD 11:25am - 11:45am Chemical crystallography, crystal structures Polytelluride Anions in Deficient RETe2–δ Structures – Superstructures and Bonding Analysis 11:45am - 12:05pm All topics Hysteretic structural changes within five-layered modulated 10M martensites of Ni-Mn-Ga(-Fe) 12:05pm - 12:25pm Bursary application The interplay of framework instability and electron-phonon coupling in a CDW system, the monophosphate tungsten bronze family. 12:25pm - 12:45pm Physics and fundamental crystallography 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 Introduction to session 10:25am - 10:55am Physics and fundamental crystallography Complex magnetic structures in frustrated A-site manganites 10:55am - 11:25am All topics High pressure effects in molecular magnetic materials with cyanide bridges 11:25am - 11:45am Physics and fundamental crystallography Crystal and magnetic structures of the high pressure RMnMnTaO6 (R = Rare earth) double (double) perovskites 11:45am - 12:05pm All topics Pb2NiOsO6: antiferromagnetic order breaks inversion symmetry in high pressure perovskite 12:05pm - 12:25pm Methods and instruments High Pressure Diffraction on Single Crystals with Hot Neutrons at MLZ 12:25pm - 12:45pm Physics and fundamental crystallography 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 Introduction to session 10:25am - 10:55am Materials and minerals Incoporation of amino acids into inorganic crystalline hosts: from biomineralization to bio-Inspired band gap engineering 10:55am - 11:25am All topics The role of intramineral proteins involved into the biomineralization of calcium carbonate in eggshells formation. Implications to the dinosaurs´ extinction 11:25am - 11:45am Bursary application Crystal texture of mineral self-organized structures from soda lake water and their implication to early Earth and prebiotic chemistry 11:45am - 12:05pm Materials and minerals Structure and properties of coralline red alga: from helical configuration to alternating layers 12:05pm - 12:25pm Materials and minerals 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 Introduction to session 10:25am - 10:55am Materials and minerals Heterogenization of molecular catalysts: C–H activation and dehydrogenation 10:55am - 11:25am All topics Understanding local structure and redox chemistry of metal ions in nanoporous catalysts by X-ray absorption spectroscopy 11:25am - 11:45am Bursary application XAS and XRD analysis of active Pt and Pd sites in metal-organic framework UiO-67 11:45am - 12:05pm Methods and instruments Structural dynamics of nanoalloy catalysts for Fuel Cells by in situ total x-ray scattering 12:05pm - 12:25pm Bursary application The Hopeful Journey Towards Successful Tailoring Of Water (In)Soluble Cobalt Analogues As Potential Water Splitting Catalysts. 12:25pm - 12:45pm Materials and minerals 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 Introduction to session 10:25am - 10:55am Methods and instruments Following structure evolution of SrFeOx in redox reactions using in situ 3D electron diffraction 10:55am - 11:25am Methods and instruments Time-resolved TEM beyond fast detectors 11:25am - 11:50am Bursary application Time resolved x-ray diffraction studies of prospective crystalline materials under dynamic ultrasonic loads 11:50am - 12:15pm Methods and instruments Discovering and transforming precipitate phases in aluminium alloys using in situ transmission electron microscopy 12:15pm - 12:40pm Bursary application Elucidation of Linker Motion in Metal-Organic Frameworks by Three-Dimensional Electron Diffraction |
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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 |
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 Introduction to session 2:50pm - 3:20pm Physics and fundamental crystallography Perceiving zeolite self-assembly within the natural tiling model 3:20pm - 3:50pm Chemical crystallography, crystal structures Combinatorial aspects of Löwenstein’s rule 3:50pm - 4:15pm Bursary application Layer Groups associated with 3-way 3-fold isonemal fabrics 4:15pm - 4:40pm All topics A unique and continuous code of all periodic crystals 4:40pm - 5:05pm Chemical crystallography, crystal structures 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 Introduction to session 2:50pm - 3:20pm Biological and macromolecular crystallography Crystal structure of the first orphan GPCR 3:20pm - 3:50pm Biological and macromolecular crystallography From integrative structural biology to cell biology 3:50pm - 4:10pm Biological and macromolecular crystallography Crystal and Cryo-EM structures provide insight into how pro-neurodegenerative SARM1 is activated and cleave NAD+. 4:10pm - 4:30pm Bursary application Structural studies of Cysteine Synthase Complex obtained from Klebsiella pneumoniae. 4:30pm - 4:50pm Biological and macromolecular crystallography 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 Biological and macromolecular crystallography 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 Introduction to session 2:50pm - 3:20pm All topics CAN MOLECULAR FLEXIBILITY CONTROL CRYSTALLISATION? 3:20pm - 3:50pm All topics Molecular, Solid-State and Surface Structures of the Conformational Polymorphic Forms of Ritonavir in Relation to their Physicochemical Properties 3:50pm - 4:10pm Chemical crystallography, crystal structures Bridging the nucleation step – the link of molecular interactions in dilute solutions and the crystal structure 4:10pm - 4:30pm All topics Controlling polymorphism of pharmaceutical cocrystals via polymer assisted cocrystallization in continuous processes 4:30pm - 4:50pm Chemical crystallography, crystal structures Crystallization of anionic small molecules with the help of a cation screen 4:50pm - 5:10pm Methods and instruments 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 Introduction to session 2:50pm - 3:20pm Physics and fundamental crystallography Ba3NbFe3Si2O14:a model system to study magnetic chirality 3:20pm - 3:50pm Physics and fundamental crystallography Peculiar commensurate spin density wave in CeAuSb2 under uniaxial stress 3:50pm - 4:10pm Physics and fundamental crystallography Absolute sign of the Dzyaloshinskii-Moriya interaction in weak ferromagnets disclosed by polarized neutron diffraction 4:10pm - 4:30pm Physics and fundamental crystallography Resonant x-ray scattering of magnetic anisotropy and orbital ordering in Ca2RuO4 4:30pm - 4:50pm Bursary application 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 Introduction to session 2:50pm - 3:15pm Materials and minerals Tellurides with monovalent Ga and In – from chains to networks 3:15pm - 3:40pm Bursary application 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 Chemical crystallography, crystal structures Synthesis and investigation of the 4H and newly discovered 6H perovskite polymorphs of BaRhO3 between 7 – 22 GPa. 4:05pm - 4:30pm Materials and minerals Enhancing the Chemical Flexibility of Hybrid Perovskites by Introducing Divalent Ligands 4:30pm - 4:55pm Bursary application 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 Introduction to session 2:50pm - 3:20pm All topics Unveiling the structural and electronic interplay in 3d and 4f/5d compounds at high-pressure 3:20pm - 3:50pm All topics Phase Transition Lowering and Melting in Dynamically-Compressed Silicon and Germanium at the LCLS 3:50pm - 4:05pm All topics A new internally heated diamond anvil cell system for time resolved optical and x-ray measurements. 4:05pm - 4:20pm Methods and instruments EMA beamline status and its XRD prospects 4:20pm - 4:35pm Bursary application Fast EXAFS measurement in piezo-driven single-crystal monochromatization scheme 4:35pm - 4:50pm Methods and instruments Unveiling the Structural Behavior under Pressure of Filled M0.5Co4Sb12 (M = K, Sr, La, Ce, and Yb) Thermoelectric Skutterudites 4:50pm - 5:05pm All topics 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 Introduction to session 2:50pm - 3:20pm Methods and instruments What does the structure of liquid mean? 3:20pm - 3:50pm Materials and minerals Hyper-ordered structures and glass-forming abilities of Pd-based metallic glasses 3:50pm - 4:10pm Methods and instruments Introducing the Pair-Angle Distribution Function: many-atom statistics of crystals and disordered materials 4:10pm - 4:30pm All topics Group 13 precursor structures and their effect on oxide nanocrystal formation 4:30pm - 4:50pm Materials and minerals Extracting local symmetry of liquid metals from extended x-ray absorption fine structure using deep neural network 4:50pm - 5:10pm All topics 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 Introduction to session 2:50pm - 3:20pm All topics Investigating disorder in A2B2O7 ceramics for waste encapsulation using NMR crystallography 3:20pm - 3:50pm Methods and instruments Structure determination of amorphous molecular solids by NMR crystallography 3:50pm - 4:05pm All topics Anionic (dis)order and fluoride dynamics in complex transition metal oxyfluorides from NMR crystallography 4:05pm - 4:20pm Methods and instruments NMR crystallography with microED 4:20pm - 4:35pm All topics NMR-Assisted Crystallography: Imaging Active Site Chemistry with Protons 4:35pm - 4:50pm Methods and instruments NMR assisted structure determination of coordination polymers 4:50pm - 5:05pm Methods and instruments A Strategy for Determining the Atomic-Resolution Structure of Micro-/Nanocrystalline Composite Solids 5:05pm - 5:20pm All topics A new NMR crystallographic protocol based on quadrupolar nuclei |
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2:55pm - 5:55pm |
SF-5: Software Fayre 5 Location: 221-2 Chair: Martin Lutz Chair: Claudia Millán Software Fayre Scipion-ed for electron crystallography 3:40pm - 4:25pm Software Fayre ConPlot: web-based tool for the visualization of protein contact maps and distograms integrated with other data 4:25pm - 5:10pm Software Fayre Topological analysis with ToposPro and TopCryst 5:10pm - 5:55pm Software Fayre 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 Poster session abstracts Bursary application Structure-activity relationship of imidazo[4,-f]1,10-phenanthroline type ligands and their Rhenium(I) complexes-photoluminescence and DNA intercalation Chemical crystallography, crystal structures X-ray crystallography investigation of Iron-nucleotide ternary coordination complexes Bursary application Exploring Structural Implications of diphosphinamine ligands in Medicine and Catalysis Bursary application Thermos-responsive single-component organic materials: Iso-symmetric phase transition, polymorphism and negative thermal expansion Bursary application Harnessing molecular rotations in plastic crystals: a holistic view for crystal engineering of adaptive soft materials Bursary application New insights about chemical etching for revelation of spontaneous fission tracks in garnets Chemical crystallography, crystal structures Experimental Electron Density of Melamine Chemical crystallography, crystal structures Resolving P-stereogenic enantiomers at nonambient-conditions Chemical crystallography, crystal structures HoF(OH)2: A fluoride-containing holmium(III) hydroxide with UCl3-type crystal structure Chemical crystallography, crystal structures Crystallochemistry of Ni(II) complexes based on halogen derivatives of 8-hydroxyquinoline with different bridging of central atoms Chemical crystallography, crystal structures Zinc complexes with nitroderivatives of quinolin-8-ol Chemical crystallography, crystal structures Radiation decay of (ZnI2)3(tpt)2 crystal sponge Chemical crystallography, crystal structures Pr1.333[P2Se6]: A link between two non-isotypic relatives Bursary application Synthesis, characterization and in vitro activities of aniline dithiocarbamate crystals Bursary application Crystal structure of lead dinickel iron tris(orthophosphate): PbNi2Fe(PO4)3 Bursary application Butterfly Effect: Tracing Shape Memory Effect and Elastic Bending in a Conformationally Flexible Organic Salt Bursary application Nucleophile assisted carbon dioxide fixation for a cleaner environment Chemical crystallography, crystal structures Structure diversity of transition metal coordination compounds based on pyridine derivative co-ligands Chemical crystallography, crystal structures Molecular packing of mesogenic bicyclohexylnitrile compounds Chemical crystallography, crystal structures Three differently-colored polymorphs of a diketopirolopyrrole derivative having butyl groups Methods and instruments Metastable disordered phase in flash-frozen Prussian Blue Analogues Chemical crystallography, crystal structures RHODIUM (I) N,O HYDROXAMIC ACID COMPLEXES AS MODEL CATALYSTS Chemical crystallography, crystal structures Syntheses and crystal structures of new ruthenium(II) organometallic compounds with NSAID type ligands Chemical crystallography, crystal structures Synthesis, phase characterization and crystal structure comparison of a self-made SmF2–SmFCl–SmFO mixture by XRD and EDX Chemical crystallography, crystal structures Polyoxometalate crystals exhibiting twinning by merohedry Bursary application 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 Poster sessions From neutral to salt cocrystal development to gain superior performance of NSAIDs Poster sessions 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 Poster session abstracts Materials and minerals In-situ XRPD analysis of active carbon supported Co-Mo ammonia synthesis catalysts activation Materials and minerals Dependence of wustite based iron catalyst crystallite size on ammonia synthesis reaction analysed by in-situ XRPD Materials and minerals How does precipitation pH affect structural transformations during activation of Co-Mo catalyst? In situ XPRD study Materials and minerals In-situ XRPD study of ammonolysis of cobalt-molybdenum ammonia synthesis catalysts with defined Co to Mo ratio Bursary application Immobilization of tungsten trioxide on the surface of mesoporous silica: structural investigation of the role of crystalline water on photocatalyst stability. Materials and minerals Detailed information about the core/shell/surface structure of palladium nanoparticles by combined in situ and operando X-ray absorption and diffraction data Bursary application Evolution of Pd/CeO2 surface morphology in situ monitored by FTIR spectroscopy Chemical crystallography, crystal structures 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 Poster session abstracts Physics and fundamental crystallography A novel, statistical approach for structure determination of modulated pathogenesis-related protein (Hyp-1) complex with ANS Chemical crystallography, crystal structures Incommensurately modulated structure - a means for increased luminescence efficiency in the solid state Physics and fundamental crystallography Successive transitions to modulated states in the {R}Pt2Si2family Bursary application Local analysis of periodically modulated quasi-one-dimensional structures Bursary application Dynamical Properties of the Incommensuratly Modulated Rb2ZnCl4 Phase Physics and fundamental crystallography High-temperature structural studies of d-AlCuRh – phasonic stabilization Physics and fundamental crystallography Dodecahedral Structures from D6 lattice Bursary application Modulated molecular crystals: Incommensurate, high Zʹ forms and their variation as function of temperature and stress Poster sessions Crystal symmetry for incommensurate helical and cycloidal modulations Poster sessions Exploration of new quasicrystals and approximants by using machine learning |
Poster - 36 Disordered: Disordered materials Chair: Simon Billinge Chair: Angela Trapananti
Poster session abstracts Poster session abstracts Bursary application Preferred orientation in modified clay/polymer composite films Methods and instruments Surface sensitive x-ray spectroscopy (TREXS) for nanoscale surface study and multi-modal development Methods and instruments Structural refinement of aqueous zirconium oxychloride using total scattering methods Materials and minerals Disordering mechanism during Li-ion intercalation in nano-rutile TiO2 Materials and minerals An anomalous diffraction study of Cu2Zn(Ge,Si)Se4 Methods and instruments Spectroscopic and Pair Distribution Evidence for Hexamethylenetetramine (HMT) as Adsorbents and Absorbents of Nano-ceria Materials and minerals The structure of bulk Al2O3 glass Materials and minerals 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 Poster session abstracts Materials and minerals Ecomorphological, behavioural and physiological patterns in otoliths Materials and minerals Rietveld and pair-distribution function analysis of nanogranular mesocrystalline shells of hyaline foraminifers Poster sessions Bio-complexes as supermolecules: towards the design of idealized peptide-based ligands Materials and minerals Unique Mode(s) of Action of Ions on Calcium Oxalate Mineralization Poster sessions Antimicrobial nanolayered and nanofibrous metal phosphates for prospective biomedical applications All topics Biomimetic Strategies for 4.0 V All-Solid-State Flexible Supercapacitor: Moving toward Eco-friendly, Safe, Aesthetic, and High-Performance Devices Poster sessions 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 Poster session abstracts Materials and minerals Hydrogen bonding in hybrid organic-inorganic perovskite materials Bursary application Combined crystallochemical and quantum-chemical search for new high-valent chalcogen-containing ionic conductors Materials and minerals Cation disorder in zinc-group IV- nitride and oxide nitride semiconductor materials revealed through neutron diffraction Materials and minerals Crystal structure and Mössbauer studies of gallium iron borate single crystals Materials and minerals Model construction of actuation performance of a photo-bending crystal using machine learning-based regression. Materials and minerals Expanded chemistry and mixed ionic-electronic conductivity in vanadium-substituted variants of γ-Ba4Nb2O9 Bursary application Environmentally Friendly Rhodium(I) Model Catalysts tailored by various bidentate and monodentate (water-soluble) ligand. Bursary application 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. Materials and minerals Lattice disorder and oxygen migration pathways in pyrochlore and defect-fluorite oxides Materials and minerals LiFe2-xInxSbO6 Oxides as Li-ion Cathode Materials Materials and minerals Enigmatic Structure Property Behaviour in SOFC & SOEC electrolyte materials Materials and minerals Time resolved structure analysis of vibrating gallium phosphate under alternating electric field Materials and minerals Analysis of multi-layer thin film materials using benchtop XRD and XRF systems Materials and minerals Exploring the magnetocaloric effect in the Ln(HCO2)(C2O4) family of Metal-Organic Frameworks Poster sessions Operando SAXS/WAXS studies for structure determination of energy storage materials using a unique electrochemical-scattering cell Bursary application 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 Poster session abstracts Poster sessions Identification of crystallographic planes of a polyhedral crystal at SENJU All topics Upgrades of a TOF single-crystal neutron diffractometer SENJU for improvement of versatility Biological and macromolecular crystallography Macromolecular Neutron Diffraction at the Heinz Maier-Leibnitz Zentrum All topics Towards generalised diffraction integration software: neutron diffraction analysis in DIALS Biological and macromolecular crystallography Toward elucidating the mechanism of lytic polysaccharide monooxygenases: Chemical insights from X-ray and neutron crystallography Methods and instruments Application of machine learning and kernel density estimation for efficient data treatment on single crystal diffraction data Biological and macromolecular crystallography Protein neutron diffraction experiment with dynamic nuclear polarization Bursary application In search of anharmonic motion of H-atoms |
Poster - 40 NMR: NMR crystallography Chair: David Bryce Chair: Martin Dracinsky
Poster session abstracts Poster session abstracts All topics Exploring zinc-terephthalate complexes through multi nuclear ssNMR and in-situ reaction monitoring by Raman spectroscopy All topics 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 Plenary and keynote 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 Plenary and keynote 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 Plenary and keynote 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 Plenary and keynote 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 |