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: 10th June 2024, 11:33:37am CEST
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Session Overview |
Date: Saturday, 21/Aug/2021 | |||||||||
9:00am - 9:50am |
KN-34: Fabrication and Characterization of Inhomogeneity-free Polymer Gels Location: Club A Chair: Marijana Đaković Mitsushiro Shibayama Plenary and keynote Fabrication and characterization of inhomogeneity-free polymer gels |
KN-35: The Science of Symmetry Breaking Location: Terrace 2A Chair: Oksana Zaharko Harold Stokes Plenary and keynote The science of symmetry breaking: A personal journey |
KN-36: Metadata and checkCIF for raw diffraction data in realising ultimate crystallographic objectivity Location: Terrace 2B Chair: John Richard Helliwell Loes Kroon-Batenburg Plenary and keynote Metadata and checkCIF for raw diffraction data and their role in realising crystallographic science objectivity |
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9:50am - 10:20am |
Morning break 7: Coffee/tea Location: Exhibition and poster area |
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10:20am - 12:45pm |
MS-89: Fragment Screening, LCP, and Automation Location: Club B Chair: Alice Douangamath Chair: Lisa J. Keefe Invited: Martin Noble (UK), Kenton Longenecker (USA) Introduction Introduction to session 10:25am - 10:55am All topics Fragment-Based Discovery of Orally Efficacious Allosteric Inhibitors of TNF-alpha 10:55am - 11:25am Biological and macromolecular crystallography FragLites: a library of small molecules incorporating anomalous scatterers with applications in screening and protein interaction mapping 11:25am - 11:45am Biological and macromolecular crystallography Using sound pulses to solve the crystal harvesting bottleneck 11:45am - 12:05pm Biological and macromolecular crystallography High throughput approach to prepare high-density microcrystals in lipidic cubic phase for serial crystallography and fragment screening 12:05pm - 12:25pm All topics Fragment-based development of bacterial DsbA inhibitors as novel anti-virulence agents 12:25pm - 12:45pm Biological and macromolecular crystallography Efficiently from Library to Hit – Crystallographic Fragment Screening in Berlin via Structurally Diverse Compound Libraries |
MS-90: Structure solution and poorly crystalline materials Location: Terrace 2A Chair: Angela Altomare Invited: Martin Schmidt (Germany), Katharine Page (USA) Introduction Introduction to session 10:25am - 10:55am All topics Wrong organic crystal structures solved and refined from powder data 10:55am - 11:25am Materials and minerals Probing Chemical Short-range Order and other Nanoscale Motifs in the Solid State 11:25am - 11:45am Materials and minerals Multiscale structural decoding of fibrous materials by SAXS and WAXD 11:45am - 12:05pm All topics Polarized resonant soft X-ray scattering measurements in polymer-grafted nanoparticles 12:05pm - 12:25pm Materials and minerals Understanding Order and Correlation in Liquid Crystals by Fluctuation Scattering 12:25pm - 12:45pm All topics Using the Pair Angle Distribution Function for Analysing Protein Structure |
MS-91: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Location: Club C Chair: Mitsuhiro Shibayama Chair: Jrjeng Ruan Invited: Julia Kornfield (USA), Christine M. Papadakis (Germany) Introduction Introduction to session 10:25am - 10:55am Methods and instruments Metastable structures, interplay of sequential deformations, and interactions between tungsten disulfide nanotubes and poly(L-lactide) studied by in situ X-ray scattering 10:55am - 11:25am All topics Kinetics of mesoglobule formation and disintegration in solutions of thermoresponsive polymers after fast pressure jumps 11:25am - 11:45am All topics Aggregation States and Proton Conductivity in Perfluorosulfonic Acid Thin Films under Humidity Condition 11:45am - 12:05pm All topics Exploring the formation of Hf metal-organic frameworks 12:05pm - 12:25pm All topics Transient Domain Structure of Coalescence-Induced Self-Organization in Droplet Phase Separation 12:25pm - 12:45pm All topics SAXS-revealed nanostructures of poly(ethylene glycol)-grafted phospholipid vescicles |
MS-92 (34b): Structural biology of enzymes, mechanism and regulation II Location: Club A Chair: Mirjam Czjzek Biological and macromolecular crystallography Structural insights into the transposition of antibiotic resistance 10:50am - 11:20am Biological and macromolecular crystallography Extraordinary Structures of Orphan Methyltransferases with Their Substrate DNA 11:20am - 11:40am Biological and macromolecular crystallography Structural and mechanistic basis for protein glutamylation by the kinase fold 11:40am - 12:00pm Biological and macromolecular crystallography Mechanism of RNA stimulated ATP hydrolysis by tick-borne encephalitis virus NS3 helicase 12:00pm - 12:20pm Biological and macromolecular crystallography Quinol-dependent Nitric Oxide Reductases are dimers in cryoEM structures 12:20pm - 12:40pm All topics Interactive GUI for the calculation of Fobs-Fobs electron density difference maps and extrapolated structure factors based on the cctbx toolbox |
MS-93: Non-covalent interactions in crystal engineering I Location: Terrace 2B Chair: Giuseppe Resnati Chair: Petra Bombicz Invited: Deepak Chopra (India), Karah Knope (USA) Introduction Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Understanding s- and π-hole centered interactions in crystals from electron density analysis 10:55am - 11:25am All topics Harnessing non-covalent interactions towards the isolation of novel actinide structural units 11:25am - 11:45am Bursary application Stacking interactions of chelate rings of transition metal complexes 11:45am - 12:05pm Bursary application Activating chalcogen bonding in alkylseleno/alkyltelluro acetylenes: Helical arrangements and crystal engineering strategies 12:05pm - 12:25pm Bursary application Hydrogen bond architecture in a series of allylamine and normal alcohols (C1-C10) cocrystals. 12:25pm - 12:45pm All topics Expanding the crystal form landscape: emerging computational tools for the discovery of eutectic composites and higher-order cocrystals of organic compounds |
MS-94: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering Location: Club D Chair: Igor Huskić Chair: Tomoji Ozeki Invited: Helen Maynard-Casely (Australia), Ulrich Kortz (Germany) Introduction Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Discrete polyoxometalates: from geochemistry via crystal engineering to functional materials 10:55am - 11:25am Materials and minerals Exploration of organic minerals on Saturn’s moon Titan 11:25am - 11:45am Chemical crystallography, crystal structures A Crystal Flask Composed of Huge Cage-of-Cage Metallosupramolecules for the Formation of Polyoxomolybdate 11:45am - 12:05pm Bursary application Autonomous Recombination and Selfhealing of Fracture in Piezoelectric Organic Crystals: Scopes in Crystal Engineering 12:05pm - 12:25pm Bursary application Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method. 12:25pm - 12:45pm Bursary application Correlated Linker Disorder in Metal-Organic Frameworks |
MS-95: Advanced methods for analysis of XAFS and crystallographic data Location: 223-4 Chair: Marco Giorgetti Chair: Paula Macarena Abdala Invited: Paola D'angelo (Italy), Rocco Caliandro (Italy) Introduction Introduction to session 10:25am - 10:55am Methods and instruments Multivariate analysis of X-ray diffraction and XAFS data 10:55am - 11:25am All topics Advanced methods for the study of chemical systems by X-ray Absorption Spectroscopy 11:25am - 11:45am Theory, computation, modelling, data, standards Analysis of XANES spectra for tektites using machine learning algorithms 11:45am - 12:05pm Theory, computation, modelling, data, standards Treatment of disorder effects in X-ray absorption spectra by reverse Monte-Carlo simulations: CuMoO4 case 12:05pm - 12:25pm All topics Novel advanced methods in XAS – XERT and Hybrid Techniques Bursary application Machine learning applied to operando XANES spectroscopy for Pd nanocatalysts |
MS-96: Crystallography schools to promote interdisciplinarity in science Location: Club H Chair: Alice Brink Chair: Serena Chiara Tarantino Invited: Diego German Lamas (Argentina), Marielle Yasmine Agbahoungbata (Benin) Introduction Introduction to session 10:25am - 10:55am General interest Crystallography schools and other educational activities in Latin America during the COVID-19 pandemic 10:55am - 11:25am General interest X-TechLab training sessions in Benin: towards borderless science education 11:25am - 11:45am General interest Crystallographic education in real and reciprocal spacechromechrome 11:45am - 12:05pm General interest Teaching crystallographic symmetry in Latin America. A 10-year review and perspectives. 12:05pm - 12:25pm General interest High impact crystallography skills development through local undergraduate curriculum and regional workshops and schools 12:25pm - 12:45pm General interest Crystallography for all – Using the CSD to help promote interdisciplinarity in science |
SMS-7: Hydrogen rich compounds: design, properties & phase transitions at high pressures Location: 221-2 Chair: Artem R Oganov Chair: Alexander Goncharov Invited: Chris J. Pickard (UK), Dmitry Semenok (Russia) Introduction Introduction to session 10:25am - 10:55am Physics and fundamental crystallography Computational challenges in the search for better superconducting hydrides 10:55am - 11:25am Physics and fundamental crystallography Room-temperature superconductivity in compressed polyhydrides 11:25am - 11:55am Chemical crystallography, crystal structures Electronegativity and Mendeleev number: redefinition of two important atomic chemical descriptors |
12:45pm - 2:45pm |
Lunch 7: Lunches Location: Exhibition and poster area |
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2:45pm - 5:10pm |
MS-100: Stimuli-responsive crystalline compounds Location: Club B Chair: Chiara Massera Chair: Ivan Halasz Invited: Tomce Runcevski (USA), Helena Shepherd (UK) Introduction Introduction to session 2:50pm - 3:20pm Chemical crystallography, crystal structures Structural Insights into the Temperature-induced Color Changes of [(CH3)2NH2]2NiCl4 3:20pm - 3:50pm Chemical crystallography, crystal structures Smart Molecular Materials: Synthesis, Structure and Properties 3:50pm - 4:10pm All topics Ultra-Fast Rotors and Light Emitting Ligands in Metal-Organic Frameworks 4:10pm - 4:30pm Chemical crystallography, crystal structures Shape-memory effects in molecular crystals 4:30pm - 4:50pm Chemical crystallography, crystal structures Low-power photo-carving of dye-volatile cocrystals: The sublime cutting edge of light-responsive materials 4:50pm - 5:10pm Chemical crystallography, crystal structures Crystal locomotion driven by photo-triggered phase transition |
MS-101 (18b): Phase transitions in complex materials (structure and magnetism) II Location: Club A Chair: Yuichi Shimakawa Chair: Alexandra Gibbs All topics Towards an iterative exploration of novel materials exhibting electronic phase transitions 3:05pm - 3:25pm Physics and fundamental crystallography Negative X-ray expansion in cadmium cyanide 3:25pm - 3:45pm Physics and fundamental crystallography Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO4 3:45pm - 4:05pm All topics Crystal structure of a new polymorph of Sr2TiO4 with tetrahedral titanium 4:05pm - 4:25pm Physics and fundamental crystallography Revisiting the crystal structure and magneto-elastic coupling in MnZnSb 4:25pm - 4:45pm All topics Phase transitions and magnetic structures in Epsilon-Fe2O3 nanoparticles 4:45pm - 5:05pm All topics Polytypism in layered AB2 solids |
MS-102: Crystallography using large volume presses and diamond anvil cells Location: Terrace 2B Chair: Shanti Deemyad Chair: Ronald MILETICH Invited: Natalia Dubrovinskaia (Germany), Siddharth Saxena (UK) Introduction Introduction to session 2:50pm - 3:20pm Physics and fundamental crystallography Evolution of Structural, Magnetic and Electronic Properties with Pressure in TMPX3 van-der-Waals Compounds 3:20pm - 3:50pm All topics Materials synthesis and crystallography at extreme pressure-temperature conditions 3:50pm - 4:10pm Bursary application Salts of guanine and alkali metals: preparation and structural study at broad range of T, P 4:10pm - 4:30pm Physics and fundamental crystallography Phase diagram of carbon dioxide revisited 4:30pm - 4:50pm Physics and fundamental crystallography X-ray study of krypton and xenon under pressure reveals the mechanism of martensitic transformations |
MS-103: XAS and crystallography allied for geomaterials and environmental problems Location: 223-4 Chair: J. Fred Mosselmans Chair: Annalisa Martucci Invited: Giuseppe Cruciani (Italy), Georgia Cametti (Switzerland) Introduction Introduction to session 2:50pm - 3:20pm Materials and minerals Immobilization and removal of hazardous elements by geomaterials: the harder and the softer solutions 3:20pm - 3:50pm Materials and minerals Combining X-ray diffraction, X-ray absorption spectroscopy, and molecular dynamics simulations to probe metals in zeolites: the case of intergrown Cd2+-LEV/ERI 3:50pm - 4:10pm All topics Adsorption and degradation mechanisms of perfluoroalkyl substances (PFAS) on Ag-exchanged FAU-type zeolite studied by in situ synchrotron X-ray diffraction and thermal analysis/isotope ratio mass spectrometry. 4:10pm - 4:30pm All topics Revealing the lifelong bio-persistent crystal structure of an asbestos fibre 4:30pm - 4:50pm Materials and minerals Mechanisms of structural reordering during thermal transformation of aluminogermanate imogolite nanotubes 4:50pm - 5:10pm Materials and minerals Evolution of the wall-crystal interface as witness of the heterogeneous nucleation and growth of Naica’s giant crystals |
MS-104: Diffraction imaging, grain mapping in materials and art Location: Terrace 2A Chair: Jonathan Paul Wright Chair: Sine Larsen Invited: Ashley Bucsek (USA), Frederik Vanmeert (Belgium) Introduction Introduction to session 2:50pm - 3:20pm Methods and instruments Macroscopic X-ray powder diffraction imaging for the study of oil paintings 3:20pm - 3:50pm All topics A multiscale, multimodal approach to studying static recrystallization in Mg-3Zn-0.1Ca 3:50pm - 4:10pm Methods and instruments Trindex - 3D Grain Orientation Mapping with Neutron Imaging 4:10pm - 4:30pm Methods and instruments New advanced tools for processing and analysis of 2D X-ray diffraction data: XRD2DScan software 7.0 4:30pm - 4:50pm Methods and instruments Visualizing the Dynamics of Subsurface Defects with Time-Resolved Dark-Field X-ray Microscopy 4:50pm - 5:10pm Methods and instruments Diffraction imaging and tomography investigations on the hydration of gypsum plaster |
MS-97: New methods to fight the pandemic Location: Panorama Chair: Jane Shelby Richardson Chair: Nicholas Mark Pearce Invited: Jasmine Young (USA), Tristan Croll (UK) Introduction Introduction to session 2:50pm - 3:20pm Biological and macromolecular crystallography "Enhanced peer review" - rebuilding early SARS-CoV-2 structures in ISOLDE 3:20pm - 3:50pm Biological and macromolecular crystallography Improving the quality of 3D structure data in the Protein Data Bank with coordinate versioning supported by OneDep 3:50pm - 4:15pm Biological and macromolecular crystallography Neutron crystallography for drug design targeting SARS-CoV-2 viral proteins 4:15pm - 4:40pm Biological and macromolecular crystallography The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (Mpro) 4:40pm - 5:05pm Biological and macromolecular crystallography Validation of cryo-EM structures of SARS-CoV-2 and mapping genomic mutations |
MS-98: 2D type crystals and their heterostructures Location: Club C Chair: Matteo Bosi Chair: Adela Rodríguez-Romero Invited: Eli Sutter (USA), Xinliang Feng (Germany) Introduction Introduction to session 2:50pm - 3:20pm All topics 1D Nanowires of 2D Layered Materials: A New Frontier in Nanomaterials 3:20pm - 3:50pm Chemical crystallography, crystal structures Advances in organic 2D crystals 3:50pm - 4:10pm Chemical crystallography, crystal structures Crystal growth and characterisation of organic-inorganic lead-free 2D double perovskite for application in radiation sensin 4:10pm - 4:30pm All topics Determination of stress, cracks and defects density in crystals after wafer-bonding processes: a novel HRXRD – X-ray micro CT conjoint analytical approach 4:30pm - 4:50pm Bursary application Crystallography online by the Bilbao Crystallographic Server: new computer tools for the study of layer and multi-layer materials |
MS-99: Non-covalent interactions in crystal engineering II Location: Club D Chair: Giuseppe Resnati Chair: Petra Bombicz Invited: Andrea Pizzi (Italy), Christian Jelsch (France) Introduction Introduction to session 2:50pm - 3:20pm Chemical crystallography, crystal structures Seleninic acids as chalcogen bond donors: a molecular insight of GPx activity 3:20pm - 3:50pm Chemical crystallography, crystal structures Deciphering the driving forces in crystal packings by analysis of hydrogen bonds, electrostatic energies and contact enrichment ratios. 3:50pm - 4:10pm Bursary application The role of S-bond in tenoxicam keto–enolic tautomerization. 4:10pm - 4:30pm Bursary application Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in lab 4:30pm - 4:50pm Bursary application Tuning mechanical responses of crystalline cadmium(II) coordination polymers through cyano functionality and halide anions 4:50pm - 5:10pm Chemical crystallography, crystal structures Halogen Bonding for Aromatic Hydrocarbon Assembly in the Solid State |
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5:10pm - 6:10pm |
Afternoon break 7: Coffee/tea Location: Exhibition and poster area |
Poster - 48 Fragment screening: Fragment screening Chair: Alice Douangamath Chair: Lisa J. Keefe
Poster session abstracts Poster session abstracts Biological and macromolecular crystallography Hundreds of starting points for spliceosomal PPI modulators identified by crystallographic fragment screening with the F2X-Universal Library Biological and macromolecular crystallography HIF-Prolyl-Hydroxylase 2 Clinical Inhibitor Complex Structure and XChem Fragment-Based Screen Obtained with Succinate Co-Product Used as a Crystallisation Tool. Biological and macromolecular crystallography Updates from FragMAX, a crystallographic fragment screening platform at MAX IV Laboratory |
Poster - 49 Non-covalent: Non-covalent interactions in crystal engineering Chair: Petra Bombicz Chair: Giuseppe Resnati
Poster session abstracts Poster session abstracts Chemical crystallography, crystal structures How guest molecules affect on the self-assembly of carboxylated pillar[5]arene in its complexes Bursary application Supramolecular arrangements in the crystal structures and the interaction energy calculations of resonance-assisted hydrogen-bridged (RAHB) rings - RAHB/RAHB and RAHB/C6-aromatic contacts Chemical crystallography, crystal structures Polymorphism and structural characterization of a Silver(I) coordination polymer: an inorganic-polymer co-former in the preparation of curcumin containing co-crystals Chemical crystallography, crystal structures A bug in enantiomer separation: double salt formation – diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate Chemical crystallography, crystal structures Structural study of Clopamide drug and copper (II) complexes under different crystallization conditions Chemical crystallography, crystal structures Interaction between metallocene units Chemical crystallography, crystal structures Two sides of a molecular surface for analysis of non-covalent interactions Poster sessions Synthesis and supramolecular analysis of novel purine alkaloid cocrystals with trimesic and hemimellitic acids Chemical crystallography, crystal structures Tailoring Crystal Structures and Polymorphs of Halogen-Bonded Supramolecular Assemblies: Co-Crystals of Hexahalogenated Benzenes and 2,3,5,6-Tetramethylpyrazine Chemical crystallography, crystal structures Synthesis and single crystal structure determination of a new mixed-metal organic–inorganic hybrid of discrete transition metal halide complexes and α, ω-diammonioalkane assembled through non-covalent intermolecular interactions : [NH3(CH2)6NH3]4[RhCl6][FeCl4]Cl4 Bursary application Influence of steric hindrance on the hydrates formation. The case of 2,2,6,6-tetramethylpiperidine and 3,3,5,5-tetramethylmorpholine Bursary application σ-hole interaction properties of divalent sulfur Chemical crystallography, crystal structures Architecture of hydrogen-bonded anionic substructure vs cation type in thiazolium hypodiphosphates Chemical crystallography, crystal structures The crystal structure of four solvates of a bisphenol derivative. Chemical crystallography, crystal structures Controlling π-Stacking Interactions in a Series of Novel Heteroacene Derivatives Poster sessions The first supramolecular consideration on crystal of DFMO – promising antiviral and anticancer pan-drug |
Poster - 50 High Pressure: High Pressure Crystallography Chair: Przemyslaw Dera Chair: Jon Henry Eggert Chair: Lars Ehm Chair: Vitali Prakapenka
Poster session abstracts Poster session abstracts All topics EIGER2 CdTe detectors for hard X-ray research under extreme conditions Bursary application Completeness of data in XRD experiments using Diamond Anvil Cell Bursary application Pressure dependence of crystal and molecular structure and NLO response of L-Arg homologue salts. All topics Reinvestigation of site-disorder in dense ice by in-situ neutron diffraction techniques All topics Uniaxial pressure in a High-resolution X-ray Diffraction environment Physics and fundamental crystallography In situ XRPD of the synthesis of corundum from boehmite during ball milling. Physics and fundamental crystallography Polyamorphizationinduced superconductivity in Sb2Se3 All topics New materials development utilizing mechanochemical synthesis Physics and fundamental crystallography Exploring the high pressure bcc alloy phase of topological Insulator PbBi4Te7: synchrotron x-ray diffraction measurement and DFT simulations Physics and fundamental crystallography Researches on pressure induced phase transitions using multiple synchrotron X-ray techniques: From crystalline to non-crystalline samples |
Poster - 51 Stimuli: Stimuli-responsive crystalline compounds Chair: Chiara Massera Chair: Ivan Halasz
Poster session abstracts Poster session abstracts Chemical crystallography, crystal structures Polymorphic tuning of a flexible organic crystal optical waveguide Chemical crystallography, crystal structures Mechanical Flexibility in 1D Coordination Polymer Crystals Bursary application Mechanical-Bending-Induced Fluorescence Enhancement in Plastically Flexible Crystals of a GFP Chromophore Analogue Bursary application Metal-like Ductility and Malleability in Organic Plastic Crystals |
Poster - 52 Time-resolved: Time resolved phase evolution, interaction and crystallization in soft matter Chair: Jrjeng Ruan Chair: Mitsuhiro Shibayama
Poster session abstracts Poster session abstracts Bursary application The organization of stable pre-crystallization phase from oligomers in lysozyme solution with different precipitates and the thin films formation at the air-liquid/air-substrate interfaces from the crystallization solutions Bursary application The formation of pre-crystallization oligomers in protein solutions during crystal growth Bursary application Study of the behaviour of lysozyme oligomers in solutions by the molecular dynamics method at different temperatures Methods and instruments Evolution of heterogeneity and gelation of poly(N‑isopropylacrylamide) aqueous solution at a temperature below cloud point All topics Study on the intercalation of fullerene derivate into ordered phases liquid crystalline polymer |
Poster - 53 Phase transitions: Structure and phase transitions in advanced materials Chair: Alexandra Gibbs Chair: Yuichi Shimakawa
Poster session abstracts Poster session abstracts Physics and fundamental crystallography Substitutional doping of trirutiline transition metal antimonates, MSb2O6 All topics Tuning Expansion and Phase Transition Behavior in the Scandium Tungstate Family Physics and fundamental crystallography Phase transition in CePt2Al2 Physics and fundamental crystallography Short-range charge density wave order in La1.88Sr0.12CuO4 under uniaxial pressure All topics Atomic mechanisms for the formation of charge-density waves in 3-dimensional electronic crystals Physics and fundamental crystallography Revisiting phase transitions in Ca-modified lead titanate ceramics using synchrotron XRD Bursary application Temperature and time-resolved XANES studies of novel valence tautomeric cobalt complex Bursary application Structural peculiarities of bismuth-containing RFe3(BO3)4 (R = Ho, Y, Sm, Nd) Physics and fundamental crystallography Modeling of lattice thermal expansion close to phase transitions: a DEA model extension. Physics and fundamental crystallography Preferences of Chirality and Polarity in Triglycine sulfate Crystals Materials and minerals Crystallography of silicon element: stable and metastable crystalline forms Physics and fundamental crystallography Crystal Structure of Protic Ionic Liquids and their hydrates Physics and fundamental crystallography Negative linear, in-plane zero and phase-transition-induced negative volume expansion in cranswickite-type MgSO4·4D2O Physics and fundamental crystallography Two stages in one step spin crossover in [Fe(bbtr)3](CF3SO3)2 Materials and minerals Nitrile orientation versus crystal lattice as a tool for tuning the spin crossover properties in the one-dimensional coordination polymers [Fe(ebtz)2(RCN)2](BF4)2 (RCN = nitrile) Materials and minerals Operando PXRD and PDF Investigations of Disordering in NaCrO2-CrO2 Poster sessions Electrochemically driven phase transitions in crystallographically challenged electrode materials for rechargeable batteries Materials and minerals Crystal Structures and Phase Transitions of the Methylammonium Tin Halide Perovskites Materials and minerals Synthesis, crystal structure and catalytic activity of a new organic-inorganic hybrid cobalt phosphite Poster sessions Crystallographic studies of the spin state transition of three Fe(II) metallogrids: thermal vs ultra-fast photoswitching Poster sessions Phase Transformations in Ti-Nb-Zr-Ta-O Beta Titanium Alloys with High Oxygen and Reduced Nb and Ta Content Materials and minerals Crystallization and nucleation study of transition metal struvite and related compounds Poster sessions α phase lamellae orientation relationship in metastable β titanium alloys |
Poster - 54 Methods: Methods Date and time of the session to be determined. Poster session abstracts Poster session abstracts Methods and instruments Advances in the Parameter Space Concept for Crystal Structure Determination – a maximum resolution study Poster sessions High-pressure CO2 for lipid-mediated cocrystallization of theophylline and nicotinamide Theory, computation, modelling, data, standards GIDInd: an automated indexing software for grazing-incidence X-ray diffraction data Methods and instruments Towards real-time analysis of liquid jet alignment in SFX Theory, computation, modelling, data, standards An efficient method for indexing grazing-incidence X-ray diffraction data of epitaxially grown thin films Methods and instruments Development of microspectrophotometer for the macromolecular crystallography beamline at the Photon Factory, Japan Methods and instruments Growth of protein crystals in high-strength hydrogels with the dialysis membrane Poster sessions Development of Reciprocal Space Mapping Software for Single Crystal Diffraction Chemical crystallography, crystal structures Identifying problems in your single crystal diffraction data Theory, computation, modelling, data, standards Application of result of atoms and centrosymmetric cubic space groups for sharpening of Patterson function Theory, computation, modelling, data, standards An attempt to find the use of atomic scattering factors and centrosymmetric cubic space groups; two choices of random phases in direct methods |
Poster - 55 XAFS: XAFS Chair: Paula Macarena Abdala Chair: Marco Giorgetti
Poster session abstracts Poster session abstracts All topics Complex atomic fine structure in the phase domain: exciting opportunities and challenges Methods and instruments Dispersion Refinements in the Range of Absorption Edges Bursary application Solving Self-Absorption in Fluorescence Bursary application X-ray absorption spectroscopy study of metal-organic frameworks functionalized by Pd: Formation and growth of Pd nanoparticles All topics High accuracy determination of photoelectric crosssections, X-ray Absorption Fine Structure and nanostructure analysis of zinc selenide using the X-rayExtended Range Technique Bursary application Facile synthesis of nano-structure LiCoPO4@UiO-66 particles and its in-situ XAS, structural properties and electrochemical characterization for lithium batteries Bursary application Mapping the thermo-induced valence tautomerism in Cobalt dioxolane single crystals |
6:10pm - 7:00pm |
PL-3: The structural biology of pathogenic amyloid fibrils Location: Panorama David Eisenberg Plenary and keynote The Expanding Amyloid Family: Structure, Stability, Function, and Pathogenesis |
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7:00pm - 7:45pm |
Closing ceremony: Poster prizes, closing Location: Panorama |
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