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: 14th June 2024, 03:46:11pm CEST
|
Session Overview |
Date: Wednesday, 18/Aug/2021 | ||||
9:00am - 9:50am |
KN-16: MicroED: conception, practice and future opportunities Location: Terrace 2A Chair: Louisa Meshi Tamir Gonen Plenary and keynote MicroED: conception, practice and future opportunities |
KN-17: In-situ and In-operando diffraction Studies of Li Ion Battery Electrodes Location: Terrace 2B Chair: Radovan Cerny Gwenaelle Rousse Plenary and keynote In-situ and In-operando diffraction Studies of Li Ion Battery Electrodes |
KN-18: Electron density, and its interplay with the energy and properties of molecules and solids Location: Club A Chair: Catharine Esterhuysen Julia Contreras-Garcia Plenary and keynote Electron density, and its interplay with the energy and properties of molecules and solids |
|
9:50am - 10:20am |
Morning break 4: Exhibition, posters, coffee/tea Location: Exhibition and poster area |
|||
10:20am - 12:45pm |
MS-41: Macromolecular machines and hybrid methods to crystallography Location: Club B Chair: Michael Landsberg Chair: Dmitry Svergun Invited: Kristina Djinovic-Carugo (Austria), Tanmay Bharat (India) Introduction Introduction to session 10:25am - 10:55am All topics Structural biology of prokaryotic cell surfaces 10:55am - 11:25am Biological and macromolecular crystallography Order from disorder in the sarcomere: FATZ forms a fuzzy complex and phase-separated macromolecular condensates with α-actinin 11:25am - 11:45am Biological and macromolecular crystallography Deciphering the role of unique bacterial transcription-associated factor HelD. 11:45am - 12:05pm Biological and macromolecular crystallography Anomalous small-angle X-ray scattering on biological macromolecules at the P12 beamline of EMBL-Hamburg 12:05pm - 12:25pm Biological and macromolecular crystallography An asymmetric structure of the filament is key to inducing flagellar curvature and enabling motility in the Leptospira spirochete 12:25pm - 12:45pm Biological and macromolecular crystallography Structure of the 80S ribosome from Candida albicans revealed by integrative structural biology approach |
MS-42: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction. Location: Club A Chair: Lars Redecke Chair: Fasseli Coulibaly Invited: Haruki Hasegawa (USA), Alexandra Ros (USA) Introduction Introduction to session 10:25am - 10:55am Biological and macromolecular crystallography Concurrent crystallization of multiple proteins in a single cell without interfering each other’s phase separation events 10:55am - 11:25am Biological and macromolecular crystallography Microfluidic Tools Reducing Sample Amount in Serial Crystallography with XFELs 11:25am - 11:45am Biological and macromolecular crystallography MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography 11:45am - 12:05pm Biological and macromolecular crystallography The crystallomics pipeline, a shotgun approach on native proteomes to (re)discover the unsuspected 12:05pm - 12:25pm Biological and macromolecular crystallography Protein crystallization assisted by the crystallophore. 12:25pm - 12:45pm Biological and macromolecular crystallography Protein crystallisation in agarose gel, a cheap and versatile technique |
MS-43: Solid state reactions and dynamics Location: Terrace 2B Chair: Franziska Emmerling Chair: Javier Marti-Rujas Invited: Hiroyoshi Ohtsu (Japan), Paolo Pio Mazzeo (Italy) Introduction Introduction to session 10:25am - 10:55am Bursary application Stepwise evolution of molecular nanoaggregates inside the pores of a highly flexible Metal-Organic Framework. 10:55am - 11:25am Chemical crystallography, crystal structures Kinetic assembly of coordination networks creates flexible and functional materials 11:25am - 11:45am Chemical crystallography, crystal structures In-situ XRD and PDF investigation of battery fluoride materials MF3.3H2O (M = Fe, Cr) in controlled atmosphere: accessing new phases with controlled chemistry 11:45am - 12:05pm Bursary application Light- and temperature-induced linkage isomerism in a series of NiII, CuII and CoIII complexes in the solid state 12:05pm - 12:25pm Bursary application Studies of the functional characteristics of adaptive X-ray optical elements based on combination of longitudinal and transverse acoustic waves in wide frequency ranges 12:25pm - 12:45pm Chemical crystallography, crystal structures In situ control of Photochromic properties with dual photoreactive soft crystal |
MS-44: Beyond pure point diffraction: Theory and application of diffuse scattering Location: Club H Chair: Nicolae Strungaru Chair: Uwe Grimm Invited: Chrizaldi Neil Manibo (Germany), Ella Mara Schmidt (Germany) Introduction Introduction to session 10:25am - 10:55am Bursary application The mathematics of absolutely continuous diffraction 10:55am - 11:25am Bursary application Mean field theory calculations to model single crystal diffuse scattering 11:25am - 11:45am Physics and fundamental crystallography KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES 11:45am - 12:05pm Physics and fundamental crystallography Characterization of the correlated disorder in Ge2Bi4Te7 12:05pm - 12:25pm Methods and instruments Tuning of disordered local structure in Prussian Blue analogues 12:25pm - 12:45pm Physics and fundamental crystallography Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data |
MS-45: Frustrated magnetic order and emerging science Location: Club C Chair: Romain Sibille Chair: Geetha Balakrishnan Invited: Beauvois Ketty (France), Nicolas Gauthier (USA) Introduction Introduction to session 10:25am - 10:55am Physics and fundamental crystallography Dimer physics in the frustrated Cairo pentagonal antiferromagnet Bi2Fe4O9 10:55am - 11:25am Physics and fundamental crystallography Characterizing the local charge density to determine complex magnetic correlations, and vice versa 11:25am - 11:45am Physics and fundamental crystallography Magnetic structure and interactions in 2D layered van der Waals semiconductors CrPS4 and MnPSe3 probed with neutron scattering 11:45am - 12:05pm Physics and fundamental crystallography Geometric frustration on the trillium lattice in a magnetic metal–organic framework 12:05pm - 12:25pm All topics Investigating Kosterlitz-Thouless physics in the triangular lattice antiferromagnet TmMgGaO4 12:25pm - 12:45pm Physics and fundamental crystallography Nanoscale distortions and ground state selection in geometrically frustrated magnets |
MS-46: In-situ and in operando studies of battery materials Location: Club D Chair: Vanessa Kate Peterson Chair: Claire Villevieille Invited: Karena Chapman (USA), Sandrine Lyonnard (France) Introduction Introduction to session 10:25am - 10:55am Materials and minerals Dynamic heterogeneity in transition metal oxide cathodes 10:55am - 11:25am Methods and instruments Operando characterization of battery anodes using mXRD and combined SAXS/WAXS 11:25am - 11:45am Bursary application Insight into the charging-discharging of magnetite electrodes: In-situ XAS study 11:45am - 12:05pm Methods and instruments Powerful SAS techniques for operando analysis of battery materials 12:05pm - 12:25pm Methods and instruments Redox oscillations in 18650-type lithium-ion cell revealed by in-operando Compton scattering imaging 12:25pm - 12:45pm Methods and instruments Optimization of in-situ 3D electron diffraction in an electrochemical liquid cell for crystal structure determination of energy materials |
MS-47a: Nanocrystalline materials I Location: 223-4 Chair: Cinzia Giannini Chair: Jinong Zhu Invited: Junliang Sun (China), Ulf Olsson (Sweden) Introduction Introduction to session 10:25am - 10:55am Materials and minerals The colloidal structure of a regenerated cellulose fiber 10:55am - 11:25am All topics Structure determination of nanocrystals 11:25am - 11:45am Materials and minerals Thermal disorder and mechanical anisotropy in nanocrystals 11:45am - 12:05pm Materials and minerals Interplay between size, morphology, microstructure defects and optoelectronic properties of CdSe nanocrystals 12:05pm - 12:25pm Materials and minerals Spinel ferrite nanoparticles in core shell architecture for heat release 12:25pm - 12:45pm Materials and minerals Monodisperse Cesium lead bromide perovskite nanocrystals (NCs) CsPbBr3 with bright and stable green photoluminescence for application light emitters devices. |
MS-48: Combination of X-rays and electrons for structure characterization Location: Terrace 2A Chair: Joke Hadermann Chair: Junliang Sun Invited: Stef Smeets (Netherlands), Tatiana Gorelik (Germany) Introduction Introduction to session 10:25am - 10:55am Methods and instruments X-ray powder diffraction and electron single crystal diffraction – two techniques for structure analysis of nanocrystals 10:55am - 11:25am Methods and instruments In the age of electrons, do we still need powder diffraction? 11:25am - 11:45am All topics The long-time elusive structure of magadiite,solved by 3D electron diffraction and model building 11:45am - 12:05pm Methods and instruments Structure and stability of δ-indomethacin 12:05pm - 12:25pm Methods and instruments A Novel High-Pressure Tin Oxynitride Sn2N2O 12:25pm - 12:45pm Bursary application Low Dose Electron Diffraction Tomography (LD-EDT) in TEM: Application on an hydrated Al arsenate mineral |
|
SF-3: Software Fayre 3 Location: 221-2 Chair: Martin Lutz Chair: Claudia Millán Software Fayre Olex2 11:05am - 11:50am Software Fayre NoSpherA2: non-spherical form factors in Olex2 Software Fayre lamaGOET - an interface for quantum crystallography |
||||
12:45pm - 2:45pm |
Lunch 4: Exhibition, posters, lunches Location: Exhibition and poster area |
Meeting ECA2: ECA Council Meeting Location: Club H Chair: Udo Heinemann Chair: Arie van der Lee ECA council meeting 2 |
||
1:00pm - 2:00pm |
Workshop - Journals: Journal Author Workshop. From data to publication Location: Club A Chair: Andrew Allen Chair: Michele Zema Panelists: Elspeth Garman (Acta D); Chiara Massera (Acta E); Andrew Allen (Editor-in-Chief) Managing editors and IUCr staff: Louise Jones (Acta D); Michele Zema (Executive Outreach Officer) |
|||
2:45pm - 5:10pm |
MS-49: Protein design and engineering Location: Club A Chair: Charlotte Uetrecht Chair: Sheena McGowan Introduction Introduction to session 2:50pm - 3:20pm Biological and macromolecular crystallography Using Ancestral Sequence Reconstruction to Create Robust, Highly Expressed Proteins for Crystallography 3:20pm - 3:50pm Biological and macromolecular crystallography Protein cage directed nanoparticle superlattices 3:50pm - 4:10pm Biological and macromolecular crystallography The bright-side and the dark-side of computational protein stabilization 4:10pm - 4:30pm Biological and macromolecular crystallography Enzyme engineering by random mutagenesis: structural and functional studies of modified plant-type L-asparaginase (EcAIII) 4:30pm - 4:50pm Biological and macromolecular crystallography Computational design of symmetric eight and nine-bladed β-propellers 4:50pm - 5:10pm Bursary application Structural evidence for the bleaching caused by oxygen in rsCherry |
MS-51: Molecular magnets and metal-organic frameworks including quantum crystallography approaches Location: Club B Chair: Jozef Kozisek Chair: Verónica Paredes-García Invited: Ivan Němec (Czech Republic), Lorraine Andrade Malaspina (France) Introduction Introduction to session 2:50pm - 3:20pm Chemical crystallography, crystal structures Semicoordination in Co(II) Single-Ion Magnets 3:20pm - 3:50pm Physics and fundamental crystallography Quantum crystallography of systems with agostic interactions 3:50pm - 4:10pm Chemical crystallography, crystal structures Field-dependent magnetic anisotropy in a single-ion magnet measured using polarized neutron powder diffraction 4:10pm - 4:30pm Bursary application Through-space intervalence charge transfer in cobalt based Metal-organic framework: an experimental and theoretical study 4:30pm - 4:50pm Physics and fundamental crystallography Magnetism of 2D Thiocyanates 4:50pm - 5:10pm Chemical crystallography, crystal structures High-Pressure Studies of Single-Molecule Magnets |
MS-52: Combining X-ray diffraction and spectroscopy to characterise materials Location: Terrace 2A Chair: Carlo Meneghini Chair: Siegbert Schmid Invited: Ilaria Carlomagno (Italy), Marco Giorgetti (Italy) Introduction Introduction to session 2:50pm - 3:20pm All topics Structure and charge monitoring of battery materials: long range vs. short range in Prussian Blue Analogous 3:20pm - 3:50pm All topics Diffraction and Spectroscopy: characterising thin ferromagnetic films from the local scale to the long-range... and beyond 3:50pm - 4:10pm Methods and instruments Combining X-ray absorption and diffraction to relate structure to the activity in catalysts for CO2 valorization reactions 4:10pm - 4:30pm All topics XAS, IR and XRD analysis for structural characterization of rare minerals: new occurrence of demantoid garnets in Sa Spinarbedda mine (Sardinia – Italy) 4:30pm - 4:50pm Bursary application Effects of Li+ addition rate during the synthesis of LiFePO4: Combining X-ray diffraction and spectroscopy techniques to determine average and local structure. 4:50pm - 5:10pm Bursary application Ultraviolet-assisted synthesis and structural characterization of the Pd nanoparticles on the CeO2 substrate |
MS-53: Function and application of porous crystals Location: Club C Chair: Karena Chapman Chair: Fernando Uribe-Romo Introduction Introduction to session 2:50pm - 3:20pm Materials and minerals Densely Packed UV-Visible Light Responsive Photocatalytic Pairs in Hexagonally Arrayed Silicate Nanochannels for Hydrogen Production 3:20pm - 3:50pm Materials and minerals MOFs as hosts to analogues of complex magnetic phases 3:50pm - 4:15pm Materials and minerals NMR crystallography of 2D and 3D assemblies of functional molecules 4:15pm - 4:40pm All topics From CO2 to dimethyl ether: mesostructured acidic oxides for methanol dehydration to design bifunctional catalysts |
MS-54: Materials for energy conversion and storage Location: Terrace 2B Chair: Jean-Marc Joubert Chair: Stefan Adams Invited: Yaroslav Filinchuk (Belgium), Kent Griffith (USA) Introduction Introduction to session 2:50pm - 3:20pm Materials and minerals Accessing micro- and macroscopic pictures of gas adsorption by in situ powder diffraction 3:20pm - 3:50pm All topics Parallel and serial reduction pathways in complex oxide lithium-ion battery anodes 3:50pm - 4:10pm All topics Metal hydroborates as solid-state electrolytes 4:10pm - 4:30pm All topics Atomistic modelling as a complementary tool for diffraction studies 4:30pm - 4:50pm All topics Degradation mechanisms and thermal stability of of vacancy-free Na2Fe[Fe(CN)6]: The impact of water and guest cations 4:50pm - 5:10pm Materials and minerals Structure-properties correlations unlocked through exquisitely sensitive powder diffraction |
MS-55(47b): Nanocrystalline materials II Location: 223-4 Chair: Cinzia Giannini Chair: Jinong Zhu Introduction Introduction to session 2:50pm - 3:20pm All topics Picometer-level core-shell structure in Pd nanocrystals revealed by total scattering 3:20pm - 3:40pm All topics The journey from disorder to order: transformation of ferrite magnets investigated in situ by combined Bragg & total scattering analysis 3:40pm - 4:00pm Materials and minerals Millisecond structural dynamics during the piezoelectric cycle of silk fibroin by synchrotron X-ray scattering & comparison with DFT calculation 4:00pm - 4:20pm All topics A high-throughput method for combinatorial screening of metal nanoparticles using x-ray pair distribution function analysis 4:20pm - 4:40pm All topics Controlling crystallization pathways and kinetics in multiferroic Bi2Fe4O9 4:40pm - 5:10pm Bursary application Atomic pair distribution function analysis of goethite and/or hydroxyapatite functionalized cyclodextrin nanosponges |
MS-56: Analysis of the fine structure in electron diffraction data Location: Club H Chair: Tatiana Gorelik Chair: Xiaodong Zou Invited: Paul Voyles (USA), Cheuk-Wai Tai (Sweden) Introduction Introduction to session 2:50pm - 3:20pm All topics Approximate Rotational Symmetries in Electron Nanodiffraction from Amorphous Materials 3:20pm - 3:50pm Methods and instruments Local structure analysis by pair distribution function obtained from a TEM 3:50pm - 4:10pm All topics Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 4:10pm - 4:30pm Bursary application High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework 4:30pm - 4:50pm Methods and instruments Scanning Nano-Structure Electron Microscopy - Hidden Potential for Evolving Systems 4:50pm - 5:10pm Methods and instruments Information theory based plane symmetry classifications: revealing pseudo-symmetries in the presence of noise |
SMS-4: Using crystallography for education during the pandemic Location: Club D Chair: Oluwatoyin Asojo Invited: Karsten Theis (USA) Introduction Introduction to session 2:50pm - 3:20pm Special Sessions Adaptable virtual X-Ray laboratories for online teaching, learning, and authentic practice 3:20pm - 3:50pm Special Sessions Learning in 3D with Pymol and Proteopedia during a pandemic: enzyme catalysis and conformational change 3:50pm - 4:10pm All topics Teaching crystallography and X-ray diffraction online with MS Teams - experience 4:10pm - 4:30pm Special Sessions Using Zoom Webinar to Teach Advanced Topics in Crystallography 4:30pm - 4:50pm Special Sessions COVID-proofing Biochemistry and engaging diverse students with Crystallography Research 4:50pm - 5:10pm All topics Integrating a discovery based remote/hybrid crystallography lab module into an undergraduate teaching laboratory during the pandemic |
|
2:55pm - 5:55pm |
SF-4: Software Fayre 4 Location: 221-2 Chair: Martin Lutz Software Fayre Open slot 3:40pm - 4:25pm Software Fayre Atomic pair distribution function (PDF) in the cloud 4:25pm - 5:10pm Software Fayre Advanced modeling of nanostructure from Atomic Pair Distribution Functions (PDFs) using DiffpyCMI on Windows 10 5:10pm - 5:55pm Software Fayre Crystallography online by the Bilbao Crystallographic Server |
|||
5:10pm - 6:10pm |
Afternoon break 4: Poster session B2, exhibition, coffee/tea Location: Exhibition and poster area |
Poster - 23 Protein design: Protein design and engineering Chair: Sheena McGowan Chair: Charlotte Uetrecht
Poster session abstracts Poster session abstracts Biological and macromolecular crystallography Engineering of protein nanocages for superlatttice formation and nanoparticle encapsulation Bursary application Structural characterization of the lid of lipase 2 of Pseudomonas alcaligenes Bursary application Structural and functional studies of key enzyme (LpxC (UDP-3-O-acyl-N-acetylglucosamine deacetylase) from salmonella typhi involved in Gram-negative bacterial lipid A biosynthesis Biological and macromolecular crystallography Crystallographic and biophysical studies of interactions of new β-lactoglobulin variants with tricyclic drugs Biological and macromolecular crystallography SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies |
Poster - 24 Crystallization: Crystallization Chair: Duane Choquesillo-Lazarte
Poster session abstracts Poster session abstracts Biological and macromolecular crystallography A novel sample delivery system based on circular motion for serial crystallography Biological and macromolecular crystallography Dynamic theory of protein crystallization Biological and macromolecular crystallography Nucleation and growth of a single suspended protein crystal by merging phase separated droplets Biological and macromolecular crystallography Preparation of hemoglobin crystals of desired size Biological and macromolecular crystallography Batch crystallisation methods for serial crystallography experiments Chemical crystallography, crystal structures Exploring Structural Implications of diphosphinamine ligands in Medicine and Catalysis Chemical crystallography, crystal structures Combining RMC and PDF methods to characterize amorphous drug Bursary application Halogenated rhodium(I) complexes as model catalysts for methanol carbonylation. Chemical crystallography, crystal structures Reactivity, bonding and structural elucidation of pendant methyl-pyridinato β-diketiminate ligand moiety |
Poster - 25 Electron: Electron crystallography Chair: Petr Brazda
Poster session abstracts Poster session abstracts Methods and instruments Dynamical refinement of beam sensitive crystals: going below a total dose of 0.1 e-/Ų All topics An electron diffractometer : A novel device for electron crystallography experiments Methods and instruments Synergy ED: A new electron diffractometer for microED Methods and instruments The ´Why´ and ´How´ of a Dedicated Electron Diffractometer All topics Ab initio structure determination of two new titanium phosphates synthesized via molten salt synthesis. All topics Effect of nano-SiC doping on the structure and superconducting properties of Mg (B1-xCx) 2 Methods and instruments Investigating structure transformations of LaxSr2-xMnO4-δ using in situ 3D electron diffraction in a gas environment Methods and instruments Investigating nanoparticle surface energetics using 4D-STEM Poster sessions Simulation of electron diffraction patterns of organic crystals under continuous rotation Poster sessions The perks of a Zeiss Libra 120 plus TEM - First steps towards electron diffraction Poster sessions Machine Learning Calculation of Large Angle Convergent Beam Electron Diffraction Patterns Theory, computation, modelling, data, standards Refinement on electron diffraction data in MoPro: A quest for improved structure model |
Poster - 26 Spectroscopy: Combining X-Ray Diffraction and Spectroscopy to Characterise Materials Chair: Carlo Meneghini Chair: Siegbert Schmid Poster session abstracts Poster session abstracts Methods and instruments Structure of ferroelectric low temperature phase of yttrium manganate YMn2O5 revisited Methods and instruments Exploiting the complementarity between X-ray scattering and absorption techniques to investigate breast cancer metastasis Bursary application Refractory materials structural and surface changes by sulfuric acid treatment Bursary application Ferroelectricity driven by ‘A’ and ‘B’ site off-centered displacements in cubic phase with Pm-3m space group Bursary application Synthesis and structural resolution by X-ray diffraction of polycrystalline samples of (E)-N-benzylidene-4-haloanilines Bursary application Vibrational spectroscopy as a confirmation method for structural analysis |
Poster - 27 Magnetism: Magnetic structures, magnetic materials
Poster session abstracts Poster session abstracts Theory, computation, modelling, data, standards INVESTIGATION OF THE VIABILITY OF STRUCTURAL INFORMATIONDETERMINED WITH X-RAY DIFFRACTION EMPLOYED TO DETERMINEANISOTROPIC MAGNETIC SUSCEPTIBILITY Physics and fundamental crystallography The magnetic materials beamlines at Diamond Light Source Physics and fundamental crystallography Symmetry breaking and Optical property of high-temperature superconductor Bi2Sr2CaCu2O8+δ Bursary application Magnetic Structures of RNiSi3 (R = Gd, Tb and Ho) Bursary application Non-collinear magnetic order coupled with magnetic glassy behaviour and enhancement of magnetocaloric effect under high pressure Physics and fundamental crystallography Magnetic properties and magnetic structure of the quasi one-dimensional antiferromagnet Cu2(MoO4)(SeO3) Bursary application Hyperfine interactions of 57Fe nuclei in a weak ferromagnet FeBO3 Bursary application Synthesis and characterization of mullite-type NdMnTiO5: structural, spectroscopic, thermogravimetric and magnetic properties analyses Bursary application Rare-earth dodecaborides: still cubic or not? Bursary application Frustrated magnets with chemically tailorable interactions Materials and minerals One-dimensional coordination polymers based on cobalt(II) and nickel(II) Chemical crystallography, crystal structures Structural and magnetic investigations of post-perovskite thiocyanate frameworks Chemical crystallography, crystal structures Magnetic aspects and assemblies of solvent-mediated layered manganese dicarboxylate based coordination polymers Poster sessions Crystal structure and magnetism in Nd1-xSrxFeO3 (0.1≦x≦0.9) Physics and fundamental crystallography Intermetallic compounds containing f-elements: synthesis of some of the compounds from the system R2TGe6 (R=Dy, Er; T=Ni, Cu, Pd) |
Poster - 28 Porous: Porous materials Chair: Karena Chapman Chair: Fernando Uribe-Romo
Poster session abstracts Poster session abstracts Materials and minerals Low-dose imaging of metal-organic frameworks and study of their electron-beam stability Bursary application Biophysical and preliminary crystallographic studies of Lectin from Entada rheedii seeds Poster sessions Ternary coordination compounds of copper with amino acids and 1,10-phenanthroline –structural insight and biological activity All topics Use of alkylarsonium cations as probe molecules for the study of zeolites All topics Adsorption of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) emerging contaminants on Y and silver-Y exchanged zeolites using thermal analysis and X-ray diffraction facilities. Poster sessions Application of the Crystalline Sponge Method for Structure Determination of Persistent Organic Pollutants of Agrochemical Degradation Products Poster sessions Breathing Mixed-ligand MOFs – solvent exchange and sorption studies |
Poster - 29 Solid state: Solid state reactions and dynamics Chair: Javier Marti-Rujas Chair: Franziska Emmerling
Poster session abstracts Poster session abstracts Bursary application In-situ time-resolved X-ray diffraction studies of crystalline materials under static mechanical load Chemical crystallography, crystal structures Synthesis and crystal growth of Rh(IV) oxides with double perovskite structure Bursary application Single crystal to single crystal transformations in Co(II) dynamic framework Bursary application Structure and Reactivity of Rhodium(I) Carbonyl complexes as Model Nano-Wired Assemblies and Catalyst Bursary application Synthesis, crystal structure and catalytic oxidation studies of a new acid pyrophosphate metallate Bursary application Thin layer formation in TeO2 single crystals due to migration of charge carriers Chemical crystallography, crystal structures Photothermal high-speed crystal actuation and the simulation |
|
Poster - 30 Nano: Nanomaterials Chair: Cinzia Giannini Chair: Jinong Zhu
Poster session abstracts Poster session abstracts Materials and minerals Sc doped TiO2 nanocrystals with core-shell morphology Materials and minerals Combined structural and electrical characterization of zirconia-based thin films for energy applications Bursary application Understanding the gas sensing mechanism in vanadium doped tin oxides using X-ray diffraction and X-ray photoelectron spectroscopy All topics Grafen/CNT doped polymer based nano composites: RF Shielding properties of the nano composite coated fabric materials. Bursary application Preparation and Characterization of Pd modified TiO2 nanofiber catalyst for carbon–carbon coupling Heck reaction Materials and minerals Impact of Co2+ substitution on microstructural evolution and magnetic properties of zinc ferrite nanoparticles synthesized by precipitation and hydrothermal-joint method Materials and minerals High-purity crystalline silicon gels Poster sessions Structure identification of Fe-FexOy core shell nanoparticles and their time stability Chemical crystallography, crystal structures A novel electrolytic method of preparing Nano sized α-Ferric oxide from scrap iron Poster sessions Impacts of mutual phase interactions on piezoelectric and dielectric properties Poster sessions Growth and stability of SmS-TaS2 nanotubes studied by XAFS and DAFS methods. Theory, computation, modelling, data, standards Fast Debye equation calculation on graphics processing units - GPU used for calculation and fitting of nanoparticles real structure |
Poster - 31 Total: Total scattering Chair: Emil Bozin Chair: Pierre Bordet
Poster session abstracts Poster session abstracts Methods and instruments Temperature and composition evolution of lattice, charge density wave and superconducting orders in Ta-based dichalcogenides by total x-ray scattering Methods and instruments Single-crystal total scattering meets metal–organic frameworks: deciphering the elusive structure of ZIF-90 Methods and instruments PDF Analysis of Crystalline and Amorphous Materials on a Home Laboratory Diffractometer Methods and instruments Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data Poster sessions Studying local order in ferroelectric oxide superlattices with three-dimensional diffuse X-ray scattering Methods and instruments Characterization of C-S-H gels by pair distribution function analysis |
Poster - 32 Theory: Theoretical crystallography
Poster session abstracts Poster session abstracts Theory, computation, modelling, data, standards Algebraic analysis of topological domain-interface defects in crystals Theory, computation, modelling, data, standards Local structure representation beyond symmetry constraints: Glazer tilts in perovskites Poster sessions A comparative research between atomic-based and chemical calculation-based descriptor for cocrystal screening machine learning model All topics SPECIFIC WATER STRUCTURE IN A GEO-INSPIRED NANOTUBE AND INTERRELATED DYNAMICS Theory, computation, modelling, data, standards Dynamical effects in the integrated X-ray scattering intensity from single crystals with microdefects in Bragg diffraction geometry Physics and fundamental crystallography Result of using atoms and centrosymmetric cubic space groups Theory, computation, modelling, data, standards Determination of structure of CoS2 by the means of a simple new method; a solution to the phase problem for centrosymmetric cubic crystals |
||
6:10pm - 7:00pm |
KN-19: X-ray absorption spectroscopy and materials science: recent advances Location: Terrace 2A Chair: Giuliana Aquilanti Federico Boscherini Plenary and keynote X-ray absorption spectroscopy and materials science: recent advances |
KN-20: The benefits of Scanning Precession Electron Diffraction to access to the crystallographic phases and orientations of nanomaterials Location: Terrace 2B Chair: Louisa Meshi Edgar Rauch Plenary and keynote The benefits of Scanning Precession Electron Diffraction to access to the crystallographic phases and orientations of nanomaterials |
KN-21: How limitless antibodies are generated by V(D)J recombination Location: Club A Chair: Marcin Nowotny Wei Yang Plenary and keynote How limitless antibodies are generated by V(D)J recombination |
|
8:00pm - 10:00pm |
Boat trip: Boat trip with raut Extra fee |
Contact and Legal Notice · Contact Address: Privacy Statement · Conference: IUCr 2021 | August 14 - 22, 2021 | Prague, Czech Republic |
Conference Software: ConfTool Pro 2.8.102+TC+CC © 2001–2024 by Dr. H. Weinreich, Hamburg, Germany |