XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 1st Nov 2024, 12:25:55am CET
|
Session Overview |
Date: Saturday, 21/Aug/2021 | |
9:00am - 9:50am | KN-34: Fabrication and Characterization of Inhomogeneity-free Polymer Gels Location: Club A Session Chair: Marijana Đaković Mitsushiro Shibayama |
|
|
9:00am - 9:50am | KN-35: The Science of Symmetry Breaking Location: Terrace 2A Session Chair: Oksana Zaharko Harold Stokes |
|
|
9:00am - 9:50am | KN-36: Metadata and checkCIF for raw diffraction data in realising ultimate crystallographic objectivity Location: Terrace 2B Session Chair: John Richard Helliwell Loes Kroon-Batenburg |
|
|
9:50am - 10:20am | Morning break 7: Coffee/tea Location: Exhibition and poster area |
10:20am - 12:45pm | MS-89: Fragment Screening, LCP, and Automation Location: Club B Session Chair: Alice Douangamath Session Chair: Lisa J. Keefe Invited: Martin Noble (UK), Kenton Longenecker (USA) |
|
10:20am - 10:25am
Introduction to session 11:25am - 11:45am
Using sound pulses to solve the crystal harvesting bottleneck 1Universidade Federal de Santa Maria, 97105-900 Santa Maria-RS; 2Department of Biology, College of William and Mary, Williamsburg, VA 23187, USA; 3Department of Biology, Stony Brook University, New York, NY 11794-5215, USA; 4Department of Biology, York College of Pennsylvania, York, PA 17403, USA; 5Department of Computer Science, Stony Brook University, New York, NY 11794-5215, USA; 6Department of Clinical Nutrition, Stony Brook University, New York, NY 11794-5215, USA; 7Department of Biomedical Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA; 8Energy Sciences Directorate, NSLS II, Brookhaven National Laboratory, Upton, NY 11973-5000 USA; 9Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte-MG, Brazil 11:45am - 12:05pm
High throughput approach to prepare high-density microcrystals in lipidic cubic phase for serial crystallography and fragment screening 1National Physical Laboratory, Teddington, UK; 2Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK; 3Biochemistry Department, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK 12:05pm - 12:25pm
Fragment-based development of bacterial DsbA inhibitors as novel anti-virulence agents 1Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Bundoora, VIC, 3086, Australia; 2Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, VIC, 3052, Australia; 3Institute of Health and Biomedical Innovation, Queensland University of Technology, Kelvin Grove, QLD, 4059; 4Griffith Institute for Drug Discovery, Griffith University, Nathan, QLD, 4111, Australia 12:25pm - 12:45pm
Efficiently from Library to Hit – Crystallographic Fragment Screening in Berlin via Structurally Diverse Compound Libraries 1Helmholtz-Zentrum Berlin, Macromolecular Crystallography; 22 Philipps-Universität Marburg, Institute of Pharmaceutical Chemistry, Drug Design Group; 3MAX IV Laboratory, BioMAX; 4Helmholtz-Zentrum Berlin, Department Sample Environment |
10:20am - 12:45pm | MS-90: Structure solution and poorly crystalline materials Location: Terrace 2A Session Chair: Angela Altomare Invited: Martin Schmidt (Germany), Katharine Page (USA) |
|
10:20am - 10:25am
Introduction to session 12:05pm - 12:25pm
Understanding Order and Correlation in Liquid Crystals by Fluctuation Scattering 1RMIT University, Melbourne, Australia; 2Australian Nuclear Science and Technology Organisation, Australian Synchrotron, Australia; 3La Trobe Institute for Molecular Science, La Trobe University, Australia |
10:20am - 12:45pm | MS-91: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Location: Club C Session Chair: Mitsuhiro Shibayama Session Chair: Jrjeng Ruan Invited: Julia Kornfield (USA), Christine M. Papadakis (Germany) |
|
10:20am - 10:25am
Introduction to session 10:55am - 11:25am
Kinetics of mesoglobule formation and disintegration in solutions of thermoresponsive polymers after fast pressure jumps 1Technical University of Munich, Garching, Germany; 2Institut Laue-Langevin, Grenoble France; 3University of Central Florida, Orlando FL. U.S.A. 11:25am - 11:45am
Aggregation States and Proton Conductivity in Perfluorosulfonic Acid Thin Films under Humidity Condition 1Department of Applied Chemistry, Kyushu University, Fukuoka, Japan; 2Center for Polymer Interface and Molecular Adhesion Science, Kyushu University, Japan; 3Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society, Tokai, Japan; 4Materials and Life Science Division, J-PARC Center, Japan Atomic Energy Agency, Tokai, Japan; 5Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tokai, Japan; 6International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, Fukuoka, Japan 11:45am - 12:05pm
Exploring the formation of Hf metal-organic frameworks 1Department of Chemistry, University of Cambridge, United Kingdom; 2Department of Chemistry, University of Liverpool, UK; 3School of Chemistry, University of Birmingham, UK; 4Diamond Light Source, Harwell Campus, UK; 5School of Chemistry, University of Nottingham, Nottingham, United Kingdom 12:05pm - 12:25pm
Transient Domain Structure of Coalescence-Induced Self-Organization in Droplet Phase Separation 1National Synchrotron RadiationResearch Center (NSRRC), Hsinchu, Taiwan; 2Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei, 10607, Taiwan |
10:20am - 12:45pm | MS-92 (34b): Structural biology of enzymes, mechanism and regulation II Location: Club A Session Chair: Mirjam Czjzek |
|
10:20am - 10:50am
Structural insights into the transposition of antibiotic resistance 1University of Geneva, Geneva, Switzerland; 2Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany; 3European Bioinformatics Institute, European Molecular Biology Laboratory, Hinxton, UK 12:20pm - 12:40pm
Interactive GUI for the calculation of Fobs-Fobs electron density difference maps and extrapolated structure factors based on the cctbx toolbox 1Institut de Biologie Structurale, Université de Grenoble Alpes, CEA, CNRS, 38044 Grenoble, France; 2Institut Laue-Langevin, 38044 Grenoble, France; 3Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, 69120 Heidelberg, Germany |
10:20am - 12:45pm | MS-93: Non-covalent interactions in crystal engineering I Location: Terrace 2B Session Chair: Giuseppe Resnati Session Chair: Petra Bombicz Invited: Deepak Chopra (India), Karah Knope (USA) |
|
10:20am - 10:25am
Introduction to session 11:45am - 12:05pm
Activating chalcogen bonding in alkylseleno/alkyltelluro acetylenes: Helical arrangements and crystal engineering strategies 1Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) UMR 6226, 35042 Rennes; 2Laboratoire CRM2, UMR CNRS 7036, Institut Jean Barriol, Université de Lorraine, BP 70239, 54506 Vandœuvre-lès-Nancy 12:25pm - 12:45pm
Expanding the crystal form landscape: emerging computational tools for the discovery of eutectic composites and higher-order cocrystals of organic compounds 1Khalifa University of Science and Technology, Abu Dhabi, United Arab Emirates; 2New York University Abu Dhabi, Abu Dhabi, United Arab Emirates |
10:20am - 12:45pm | MS-94: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering Location: Club D Session Chair: Igor Huskić Session Chair: Tomoji Ozeki Invited: Helen Maynard-Casely (Australia), Ulrich Kortz (Germany) |
|
10:20am - 10:25am
Introduction to session 10:55am - 11:25am
Exploration of organic minerals on Saturn’s moon Titan 1Australian Nuclear Science and Technology Organisation, Kirrawee DC, Australia; 2NASA Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, USA; 3Department of Chemistry, Southern Methodist University, Dallas, TX, USA |
10:20am - 12:45pm | MS-95: Advanced methods for analysis of XAFS and crystallographic data Location: 223-4 Session Chair: Marco Giorgetti Session Chair: Paula Macarena Abdala Invited: Paola D'angelo (Italy), Rocco Caliandro (Italy) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Multivariate analysis of X-ray diffraction and XAFS data 1Institute of Crystallography, CNR, via Amendola 122/o, 70126, Italy; 2Dipartimento di Ingegneria Elettrica e dell'Informazione, Politecnico di Bari, via Orabona 4, Bari, 70125, Italy; 3Dipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale, viale T. Michel 11, Alessandria, 15121, Italy 11:25am - 11:45am
Analysis of XANES spectra for tektites using machine learning algorithms 1The Smart Materials Research Institute, Southern Federal University, 344090 Rostov-on-Don, Russia; 2Department of Chemistry, INSTM Reference Center and NIS and CrisDi Interdepartmental Centers, University of Torino, 10125 Torino, Italy Machine learning applied to operando XANES spectroscopy for Pd nanocatalysts 1The Smart Materials Research Institute of Southern Federal University; 2Federal State Budgetary Institution of Science "Federal Research Centre The Southern Scientific Centre of The Russian Academy of Sciences" |
10:20am - 12:45pm | MS-96: Crystallography schools to promote interdisciplinarity in science Location: Club H Session Chair: Alice Brink Session Chair: Serena Chiara Tarantino Invited: Diego German Lamas (Argentina), Marielle Yasmine Agbahoungbata (Benin) |
|
10:20am - 10:25am
Introduction to session 10:55am - 11:25am
X-TechLab training sessions in Benin: towards borderless science education 1Agence de Développement de Sèmè City, Cotonou, Benin; 2Commissariat à l’Energie Atomique et aux Energies Alternatives (CEA), France; 3University of Pavia, Italy; 4TriSEED Consultants, LLC, Hillsborough, NC, USA |
10:20am - 12:45pm | SMS-7: Hydrogen rich compounds: design, properties & phase transitions at high pressures Location: 221-2 Session Chair: Artem R Oganov Session Chair: Alexander Goncharov Invited: Chris J. Pickard (UK), Dmitry Semenok (Russia) |
|
10:20am - 10:25am
Introduction to session |
12:45pm - 2:45pm | Lunch 7: Lunches Location: Exhibition and poster area |
2:45pm - 5:10pm | MS-100: Stimuli-responsive crystalline compounds Location: Club B Session Chair: Chiara Massera Session Chair: Ivan Halasz Invited: Tomce Runcevski (USA), Helena Shepherd (UK) |
|
2:45pm - 2:50pm
Introduction to session |
2:45pm - 5:10pm | MS-101 (18b): Phase transitions in complex materials (structure and magnetism) II Location: Club A Session Chair: Yuichi Shimakawa Session Chair: Alexandra Gibbs |
|
3:05pm - 3:25pm
Negative X-ray expansion in cadmium cyanide 1Department of Chemistry, Cambridge, U. K, CB2 1EW; 2Inorganic Chemistry Laboratory , Oxford, U. K., OX1 3QR; 3Diamond Light Source, Didcot, Oxfordshire OX11 0DE, U. K; 4Nanochemistry Department, Max Planck Institute for Solid State Research, Stuttgart, Germany, 70569; 5ISIS Facility, Didcot, Oxfordshire, U. K., OX11 0QX 4:25pm - 4:45pm
Phase transitions and magnetic structures in Epsilon-Fe2O3 nanoparticles 1Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Bellaterra, Spain; 2CELLS-ALBA synchrotron, Cerdanyola del Vallès, Spain; 3Instituto de Diseño para la Fabricación, Universitat Politècnica de València, Valencia, Spain |
2:45pm - 5:10pm | MS-102: Crystallography using large volume presses and diamond anvil cells Location: Terrace 2B Session Chair: Shanti Deemyad Session Chair: Ronald MILETICH Invited: Natalia Dubrovinskaia (Germany), Siddharth Saxena (UK) |
|
2:45pm - 2:50pm
Introduction to session 3:50pm - 4:10pm
Salts of guanine and alkali metals: preparation and structural study at broad range of T, P 1Novosibirsk State University, Novosibirsk, Russian Federation; 2Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russian Federation; 3V.S. Sobolev Institute of Geology and Mineralogy SB RAS, Novosibirsk, Russian Federation 4:10pm - 4:30pm
Phase diagram of carbon dioxide revisited 1LENS - European Laboratory for Non-Linear Spectroscopy, Sesto Fiorentino, Italy; 2ICCOM-CNR, National Research Council of Italy, Sesto Fiorentino, Italy; 3Institut für Mineralogie und Kristallographie, Universität Wien, Wien, Austria; 4Dipartimento di Chimica “Ugo Schiff” dell’Università degli Studi di Firenze, Sesto Fiorentino, Italy; 5European Synchrotron Radiation Facility, ESRF, Grenoble, France 4:30pm - 4:50pm
X-ray study of krypton and xenon under pressure reveals the mechanism of martensitic transformations 1ESRF, Grenoble, France; 2CEA, Arpajon Cedex, France; 3Geodynamics Research Center, Ehime University, Matsuyama, Japan; 49. Laboratoire Magmas et Volcans, Université Clermont Auvergne, Clermont-Ferrand, France |
2:45pm - 5:10pm | MS-103: XAS and crystallography allied for geomaterials and environmental problems Location: 223-4 Session Chair: J. Fred Mosselmans Session Chair: Annalisa Martucci Invited: Giuseppe Cruciani (Italy), Georgia Cametti (Switzerland) |
|
2:45pm - 2:50pm
Introduction to session 3:20pm - 3:50pm
Combining X-ray diffraction, X-ray absorption spectroscopy, and molecular dynamics simulations to probe metals in zeolites: the case of intergrown Cd2+-LEV/ERI 1Bern Universität, Bern, Switzerland; 2The Rossendorf Beamline at the European Synchrotron Radiation Facility (ESRF), Avenue des Martyrs 71, 38043 Grenoble, France; 3Helmholtz Zentrum Dresden Rossendorf, Institute of Resource Ecology, Bautzner Landstrasse 400, 01328, Dresden, Germany; 4Paul Scherrer Institut, Forschungstrasse 111, 5232, Villingen PSI, Switzerland 3:50pm - 4:10pm
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. 1Department of Physics and Earth Sciences, University of Ferrara, Via Saragat 1, I-44121, Ferrara, Italy.; 2Elettra-Sincrotrone Trieste S.C.p.A., Materials Characterisation By X-ray diffraction (MCX) Beamline, Strada Statale 14 - km 163,5 in AREA Science Park, Basovizza, Trieste, Italy. 4:10pm - 4:30pm
Revealing the lifelong bio-persistent crystal structure of an asbestos fibre 1aEuropean Synchrotron Radiation Facility, 71, Avenue Des Martyrs, Grenoble, 38040, France; 2bDepartment of Chemical and Geological Sciences, University of Modena and Reggio Emilia, Modena, 41121, Italy; 3cDepartment of Sciences and Methods for Engineering, University of Modena and Reggio Emilia, Via Amendola, 2, Reggio Emilia, 42122, Italy; 4Pathology Unit, Azienda Unità Sanitaria Locale - IRCCS, Reggio Emilia, Italy; 5Istituto di Cristallografia, CNR, Via Amendola, 122/o, Bari, 70126, Italy 4:50pm - 5:10pm
Evolution of the wall-crystal interface as witness of the heterogeneous nucleation and growth of Naica’s giant crystals 1Centro de Investigación en Materiales Avanzados, Chihuahua, Mexico; 2Universidad Autónoma de Chihuahua, Chihuahua, Mexico; 3Universidad La Salle Chihuahua, Chihuahua, Mexico; 4Elettra Sincrotrone-Trieste, Basovizza, Italy; 5CONACYT-Universidad nacional Autónoma de México, Hermosillo, Mexico; 6Instituto de Ciencia de Materiales de Madrid, Madrid, Spain |
2:45pm - 5:10pm | MS-104: Diffraction imaging, grain mapping in materials and art Location: Terrace 2A Session Chair: Jonathan Paul Wright Session Chair: Sine Larsen Invited: Ashley Bucsek (USA), Frederik Vanmeert (Belgium) |
|
2:45pm - 2:50pm
Introduction to session 3:20pm - 3:50pm
A multiscale, multimodal approach to studying static recrystallization in Mg-3Zn-0.1Ca 1University of Michigan, Ann Arbor, United States of America; 2European Synchrotron Radiation Facility, Grenoble, France; 3Cornell High Energy Synchrotron Source, Ithaca, United States of America 3:50pm - 4:10pm
Trindex - 3D Grain Orientation Mapping with Neutron Imaging 1University of New South Wales, Australia; 2Paul-Scherrer Institute, Switzerland; 3Institute of Physics, Czech Republic; 4Japan Proton Accelerator Research Complex (J-PARC), Japan; 5Technical University of Denmark, Denmark; 6European Spallation Source ERIC, Sweden 4:50pm - 5:10pm
Diffraction imaging and tomography investigations on the hydration of gypsum plaster 1European Synchrotron Radiation Facility, 71 Avenue Des Martyrs, 38040 Grenoble , France; 2Institut de science de la Terre, Université Grenoble Alpes, 1381 Rue de la Piscine, 38610 Gières, France |
2:45pm - 5:10pm | MS-97: New methods to fight the pandemic Location: Panorama Session Chair: Jane Shelby Richardson Session Chair: Nicholas Mark Pearce Invited: Jasmine Young (USA), Tristan Croll (UK) |
|
2:45pm - 2:50pm
Introduction to session 4:15pm - 4:40pm
The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (Mpro) 1Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, England; 2Structural Biology Initiative, CUNY Advanced Science Research Center, New York, NY 10031; 3Biology Department, Brookhaven National Laboratory, Upton, NY 11973; 4National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973; 5National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, United States; 6Department of Chemistry and Biochemistry, City College of New York, New York, NY 10031; 7Ph.D. Programs in Biochemistry, Biology, and Chemistry, The Graduate Center – City University of New York, New York, NY 10016 |
2:45pm - 5:10pm | MS-98: 2D type crystals and their heterostructures Location: Club C Session Chair: Matteo Bosi Session Chair: Adela Rodríguez-Romero Invited: Eli Sutter (USA), Xinliang Feng (Germany) |
|
2:45pm - 2:50pm
Introduction to session 3:50pm - 4:10pm
Crystal growth and characterisation of organic-inorganic lead-free 2D double perovskite for application in radiation sensin 1Freiburg Materials Research Center FMF, Albert-Ludwigs-Universität Freiburg, Germany; 2Institute of Inorganic and Analytical Chemistry, Faculty of Chemistry and Pharmacy, Albert-Ludwigs-Universität Freiburg, Germany 4:10pm - 4:30pm
Determination of stress, cracks and defects density in crystals after wafer-bonding processes: a novel HRXRD – X-ray micro CT conjoint analytical approach 1Center for X-ray Analytics, Empa, Ueberlandstrasse 129, Dubendorf, Switzerland; 2Department of Chemistry, University of Fribourg, Avenue de l'Europe 20, 1700 Fribourg, Switzerland 4:30pm - 4:50pm
Crystallography online by the Bilbao Crystallographic Server: new computer tools for the study of layer and multi-layer materials 1Institute of Applied Geosciences, Karlsruhe Institute of Technology, Karlsruhe, Germany; 2Department of Physics Engineering, Hacettepe University, Ankara, Turkey; 3Departamento de Física de la Materia Condensada, Universidad del País Vasco UPV/EHU, Leioa, Spain; 4Laboratory of Quantum-size Heterostructures, Ioffe Institute, Saint Petersburg, Russia; 5Institute of Chemistry, Saint Petersburg State University, Saint Petersburg, Russia |
2:45pm - 5:10pm | MS-99: Non-covalent interactions in crystal engineering II Location: Club D Session Chair: Giuseppe Resnati Session Chair: Petra Bombicz Invited: Andrea Pizzi (Italy), Christian Jelsch (France) |
|
2:45pm - 2:50pm
Introduction to session 3:50pm - 4:10pm
The role of S-bond in tenoxicam keto–enolic tautomerization. 1Novosibirsk State University, Novosibirsk, Russian Federation; 2Boreskov Institute of Catalysis SB RAS; 3International Tomography Center; 4National Research Center “Kurchatov Institute”; 5Center for Energy Science and Technology, Skoltech Skolkovo Institute of Science and Technology 4:10pm - 4:30pm
Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in lab 1Université de Lorraine, CNRS, CRM2, UMR 7036, Nancy 54000, France; 2Institut des Sciences Chimiques de Rennes (ISCR), UMR CNRS 6226, Université de Rennes 1, Campus de Beaulieu, 35042 Rennes, France |
5:10pm - 6:10pm | Afternoon break 7: Coffee/tea Location: Exhibition and poster area |
5:10pm - 6:10pm | Poster - 48 Fragment screening: Fragment screening Session Chair: Alice Douangamath Session Chair: Lisa J. Keefe
|
|
Poster session abstracts Hundreds of starting points for spliceosomal PPI modulators identified by crystallographic fragment screening with the F2X-Universal Library 1Helmholtz-Zentrum Berlin, Macromolecular Crystallography, Albert-Einstein-Str. 15, 12489 Berlin, Germany; 2MAX IV Laboratory, BioMAX, Fotongatan 2, 224 84 Lund, Sweden; 3Freie Universität Berlin, Institute of Chemistry and Biochemistry, Laboratory of Structural Biochemistry, Takustraße 6, 14195 Berlin, Germany HIF-Prolyl-Hydroxylase 2 Clinical Inhibitor Complex Structure and XChem Fragment-Based Screen Obtained with Succinate Co-Product Used as a Crystallisation Tool. 1Department of Chemistry, University of Oxford, Oxford, United Kingdom; 2Cardiovascular Research Institute, University of California, San Fransciso, CA, United States; 3Institute of Natural Medicine, University of Toyama, Toyama, Japan |
5:10pm - 6:10pm | Poster - 49 Non-covalent: Non-covalent interactions in crystal engineering Session Chair: Petra Bombicz Session Chair: Giuseppe Resnati
|
|
Poster session abstracts 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 1Innovation Center of the Faculty of Chemistry, Belgrade, Serbia; 2Faculty of Chemistry, University of Belgrade, Serbia A bug in enantiomer separation: double salt formation – diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate 1Chemical Crystallography Research Laboratory, Research Centre for Natural Sciences, Hungary; 2Plasma Chemistry Research Group, Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungary; 3Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Budapest, Hungary; 4Organocatalysis Research Group, Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Budapest, Hungary Interaction between metallocene units Vinca Institute of Nuclear Sciences, University of Belgrade, Belgrade, Serbia 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 Heinrich Heine University of Duesseldorf, Düsseldorf, Germany σ-hole interaction properties of divalent sulfur University of Kinshasa, Kinshasa, Congo, Democratic Republic of the The first supramolecular consideration on crystal of DFMO – promising antiviral and anticancer pan-drug Technical University of Lodz, Poland, Lodz, Poland |
5:10pm - 6:10pm | Poster - 50 High Pressure: High Pressure Crystallography Session Chair: Przemyslaw Dera Session Chair: Jon Henry Eggert Session Chair: Lars Ehm Session Chair: Vitali Prakapenka
|
|
Poster session abstracts Pressure dependence of crystal and molecular structure and NLO response of L-Arg homologue salts. 1Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50-950 Wrocław 2, P.O. Box 1410, Poland; 2Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wrocław University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław, Poland; 3Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, Poznań, 61-614, Poland Reinvestigation of site-disorder in dense ice by in-situ neutron diffraction techniques 1Geochemical Research Center, Graduate School of Science, The University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo, 113-0033, Japan; 2IMPMC, UMR 7590, Sorbonne Université, Paris, France; 3Institut Laue-Langevin, Grenoble, France; 4Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society, IQBRC Bldg, 162-1 Shirakata, Tokai, Naka, Ibaraki 319-1106, Japan; 5J-PARC Center, Japan Atomic Energy Agency, 2-4 Shirakata, Tokai-mura, Ibaraki 319-1195, Japan; 6Geodynamics Research Center, Ehime University, Matsuyama 790-8577, Japan; 7Institute for Materials Research, Tohoku University, Sendai, Japan Uniaxial pressure in a High-resolution X-ray Diffraction environment 1Brazilian Synchrotron Light Laboratory, Brazilian Center for Research in Energy and Materials, Campinas, SP, 13083-970, Brazil; 2Institute of Physics "Gleb Wataghin", University of Campinas – UNICAMP, 13083-859, Campinas, SP, Brazil In situ XRPD of the synthesis of corundum from boehmite during ball milling. 1Max-Planck-Institut für Kohlenforschung, Heterogeneous Catalysis, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany; 2Deutsches Elektronen-Synchrotron (DESY), Notkestraße 85, 22607 Hamburg, Germany Researches on pressure induced phase transitions using multiple synchrotron X-ray techniques: From crystalline to non-crystalline samples 1Harbin Institute of Technology, Harbin, China, People's Republic of; 2HPSTAR, Beijing, China, People's Republic of |
5:10pm - 6:10pm | Poster - 51 Stimuli: Stimuli-responsive crystalline compounds Session Chair: Chiara Massera Session Chair: Ivan Halasz
|
|
Poster session abstracts |
5:10pm - 6:10pm | Poster - 52 Time-resolved: Time resolved phase evolution, interaction and crystallization in soft matter Session Chair: Jrjeng Ruan Session Chair: Mitsuhiro Shibayama
|
|
Poster session abstracts 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 1Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics” of Russian Academy of Sciences; 2National Research Centre “Kurchatov Institute” The formation of pre-crystallization oligomers in protein solutions during crystal growth 1Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics” of Russian Academy of Sciences; 2National Research Centre “Kurchatov Institute” Study of the behaviour of lysozyme oligomers in solutions by the molecular dynamics method at different temperatures 1National Research Center "Kurchatov Institute", Moscow, Russian Federation; 2Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics” of Russian Academy of Sciences Evolution of heterogeneity and gelation of poly(N‑isopropylacrylamide) aqueous solution at a temperature below cloud point 1Department of Automotive Science, Kyushu University, Fukuoka, Japan; 2Department of Applied Chemistry, Kyushu University, Fukuoka, Japan; 3Department of Chemical Engineering, National Cheng Kung University, Tainan, Taiwan Study on the intercalation of fullerene derivate into ordered phases liquid crystalline polymer 1National Synchrotron Radiation Research Center (NSRRC), Hsinchu City, Taiwan; 2Department of Materials Science and Engineering, National Cheng Kung University, Tainan City, Taiwan; 3Department of Chemical Engineering, National Tsing Hua University, Hsinchu City , Taiwan |
5:10pm - 6:10pm | Poster - 53 Phase transitions: Structure and phase transitions in advanced materials Session Chair: Alexandra Gibbs Session Chair: Yuichi Shimakawa
|
|
Poster session abstracts Substitutional doping of trirutiline transition metal antimonates, MSb2O6 1School of Chemical Sciences, University of Auckland, 23 Symonds Street, Auckland 1010, New Zealand; 2Macdiarmid Institute for Advanced Materials and Nanotechnology, Victoria University of Wellington, Wellington 6140, New Zealand; 3Australian Centre for Neutron Scattering, Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights, NSW 2234, Australia Phase transition in CePt2Al2 1Charles University, Faculty of Mathematics and Physics, Department of Condensed Matter Physics, Prague, Czech Republic; 2CNRS, University Bordeaux, ICMCB, Pessac, France; 3Czech Academy of Sciences, Institute of Plasma Physics, Prague, Czech Republic; 4Charles University, Faculty of Mathematics and Physics, Department of Physics of Materials, Prague, Czech Republic Short-range charge density wave order in La1.88Sr0.12CuO4 under uniaxial pressure 1Physik Institut, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland; 2Department of Physics, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark; 3Diamond Light Source, Harwell Science & Innovation Campus Didcot Oxfordshire OX11 0DE,United Kingdom; 4Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany; 5Department of Physics, Hokkaido University – Sapporo 060-0810, Japan; 6Department of Applied Sciences, Muroran Institute of Technology, Muroran 050-8585, Japan Atomic mechanisms for the formation of charge-density waves in 3-dimensional electronic crystals 1Laboratory of Crystallography, University of Bayreuth, Bayreuth, Germany; 2Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Mumbai, India Revisiting phase transitions in Ca-modified lead titanate ceramics using synchrotron XRD 1Brazilian Synchrotron Light Laboratory, Campinas, Brazil; 2“Gleb Wataghin” Institute of Physics, State University of Campinas, Brazil; 3Physics Department, Federal University of São Carlos, São Carlos, Brazil. Temperature and time-resolved XANES studies of novel valence tautomeric cobalt complex 1The Smart Materials Research Institute, Southern Federal Universuty, Rostov-on-Don, Russian Federation; 2G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russian Federation Modeling of lattice thermal expansion close to phase transitions: a DEA model extension. University of Bremen, Institute of Inorganic Chemistry and Crystallography, Leobener Strasse 7, D-28359 Bremen, Germany Preferences of Chirality and Polarity in Triglycine sulfate Crystals 1School of Advance Science and Engineering, Waseda University, Tokyo, Japan; 2Faculty of Engineering, University of Toyama, Toyama, Japan; 3Research Center for Ubiquitous MEMS and Micro Engineering, National Institute of Advanced Industrial Science and Technology (AIST), Ibaraki, Japan; 4Department of Applied Chemistry, School of Engineering, The University of Tokyo, Tokyo, Japan; 5Graduate School of Advance Science and Engineering, Waseda University, Tokyo, Japan; 6Faculty of Science and Engineering, Waseda University, Tokyo, Japan; 7Research Organization for Nano & Life Innovation, Waseda University, Tokyo, Japan Negative linear, in-plane zero and phase-transition-induced negative volume expansion in cranswickite-type MgSO4·4D2O 1Camborne School of Mines and Environment and Sustainability Institute, Tremough Campus, University of Exeter, Penryn TR10 9EZ, UK; 2Diamond Light Source, Harwell Science and Innovation Campus, Fermi Avenue, Didcot OX11 0DE, UK; 3ISIS Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Chilton, Didcot, Oxfordshire, OX11 0QX, UK 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) 1Institute of Physics, University of Silesia, 75 Pułku Piechoty 1, 41 – 500 Chorzów, Poland; 2Faculty of Chemistry, University of Wrocław, F. Joliot – Curie 14, 50 – 383 Wrocław, Poland Crystal Structures and Phase Transitions of the Methylammonium Tin Halide Perovskites 1Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba, 305-8573, Japan; 2Materials Sciences Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan; 3Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tokai, Ibaraki, 319-0016, Japan; 4J-PARC Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195, Japan; 5Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan Synthesis, crystal structure and catalytic activity of a new organic-inorganic hybrid cobalt phosphite 1Engineering Laboratory of Organometallic, Molecular Materials and Environment (LIMOME) University Sidi Mohamed Ben Abdellah,; 2Engineering Laboratory of Organometallic, Molecular Materials and Environment (LIMOME) University Sidi Mohamed Ben Abdellah,; 3Engineering Laboratory of Organometallic, Molecular Materials and Environment (LIMOME) University Sidi Mohamed Ben Abdellah,; 4Engineering Laboratory of Organometallic, Molecular Materials and Environment (LIMOME) University Sidi Mohamed Ben Abdellah,; 5Independent scientist, Oujda, Morocco; ORCID: 0000-0001-6926-6286.; 6Engineering Laboratory of Organometallic, Molecular Materials and Environment (LIMOME) University Sidi Mohamed Ben Abdellah, Crystallographic studies of the spin state transition of three Fe(II) metallogrids: thermal vs ultra-fast photoswitching 1Photon Science - Structural Dynamics in Chemical Systems, Deutsches Elektronen-Synchrotron DESY, Hamburg, 22607, Germany; 2Institut für Anorganische Chemie, Georg-August-Universität Göttingen, Göttingen, 37077, Germany; 3Center for Advanced Radiation Sources, The University of Chicago, Argonne National Laboratory, Lemont, Illinois, 90439, USA; 4Institut für Röntgenphysik, Georg-August-Universität Göttingen, Göttingen, 37077, Germany |
5:10pm - 6:10pm | Poster - 54 Methods: Methods Date and time of the session to be determined. |
|
Poster session abstracts Advances in the Parameter Space Concept for Crystal Structure Determination – a maximum resolution study 1TU Bergakademie Freiberg, Institut für Experimentelle Physik, Leipziger Str. 23, D-09599 Freiberg, Germany; 2TU Chemnitz, Institut für Physik, Reichenhainer Str. 70, D-09126 Chemnitz, Germany; 3DESY Photon Science, Notkestr. 85, D-22607 Hamburg, Germany; 4Universität des Saarlandes, Experimentalphysik, Campus A5 1, D-66041 Saarbrücken, Germany Growth of protein crystals in high-strength hydrogels with the dialysis membrane 1Faculty of Science & Technology, Kochi University, Kochi, Japan; 2SOSHO Inc., Osaka, Japan; 3Kunimune Corp., Osaka; 4Graduate School of Science, Osaka University, Osaka, Japan; 5Graduate School of Engineering, Osaka University, Osaka, Japan |
5:10pm - 6:10pm | Poster - 55 XAFS: XAFS Session Chair: Paula Macarena Abdala Session Chair: Marco Giorgetti
|
|
Poster session abstracts Complex atomic fine structure in the phase domain: exciting opportunities and challenges 1Department of Chemistry and Physics, La Trobe University, Bundoora, Victoria, Australia; 2School of Physics, University of Melbourne, Parkville, Victoria, Australia; 3XFM beamline, Australian Synchrotron, ANSTO, Clayton, Victoria, Australia Dispersion Refinements in the Range of Absorption Edges 1Universität Regensburg, Fakultät für Chemie und Pharmazie, Universitätsstr. 31, 93053 Regensburg, Germany; 2OlexSys Ltd, Chemistry Department, Durham University, DH1 3LE, UK; 3Université de Lorraine, CNRS, CRM2, 54000 Nancy, France; 4Department of Mathematical Sciences, Durham University, DH1 3LE, UK; 5Rossendorf Beamline (BM20-CRG), European Synchrotron Radiation Facility, 71, Avenue des Martyrs, 38043 Grenoble, France High accuracy determination of photoelectric crosssections, X-ray Absorption Fine Structure and nanostructure analysis of zinc selenide using the X-rayExtended Range Technique 1University of Melbourne, Melbourne , Australia; 2La Trobe University; 3Australian Nuclear Science and Technology Organisation Mapping the thermo-induced valence tautomerism in Cobalt dioxolane single crystals 1Physics department, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG - Brazil; 2Chemistry department, Universidade Federal do Espírito Santo, Espírito Santo, ES - Brazil; 3European XFEL, Holzkoppel 4, 22869 Schenefeld, Germany; 4Department of Chemistry, North Carolina State University, Raleigh, NC 27695‐8204, USA; 5Laboratoire de Spectroscopie Ultrarapide, ISIC-FSB-BSP, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland |
6:10pm - 7:00pm | PL-3: The structural biology of pathogenic amyloid fibrils Location: Panorama David Eisenberg |
|
|
7:00pm - 7:45pm | Closing ceremony: Poster prizes, closing Location: Panorama |
Contact and Legal Notice · Contact Address: Privacy Statement · Conference: IUCr 2021 | August 14 - 22, 2021 | Prague, Czech Republic |
Conference Software: ConfTool Pro 2.8.103+TC+CC © 2001–2024 by Dr. H. Weinreich, Hamburg, Germany |