Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
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Session Overview |
Date: Monday, 16/Aug/2021 | |
9:00am - 9:50am | KN-7: Electron crystallography of molecular crystals Location: Terrace 2A Session Chair: Václav Petříček Lukáš Palatinus |
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9:00am - 9:50am | KN-8: Order and disorder in metal-ion battery materials Location: Terrace 2B Session Chair: Radovan Cerny Artem Abakumov |
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9:00am - 9:50am | KN-9: Crystalline sponge, metal-organic assembles Location: Club A Session Chair: Masaki Kawano Makoto Fujita |
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9:50am - 10:20am | Morning break 2: Exhibition, posters, coffee/tea Location: Exhibition and poster area |
10:20am - 12:45pm | MS-17: Automation in bio-crystallography: tools, perspectives and applications Location: Club A Session Chair: Santosh Panjikar Session Chair: Melanie Vollmar Invited: Katherine McAuley (UK), Jose Marquez (France) |
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10:20am - 10:25am
Introduction to session 11:25am - 11:45am
Fully automated data collection and remote access in macromolecular crystallography beamlines at the Photon Factory, Japan 1Structural Biology Research Center, Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki, Japan; 2School of High Energy Accelerator Science, The Graduate University for Advanced Studies, 1-1 Oho, Tsukuba, Ibaraki, Japan; 3Mechanical Engineering Center, Applied Research Laboratory, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki, Japan |
10:20am - 12:45pm | MS-18a: Phase transitions in complex materials (structure and magnetism) I Location: Terrace 2B Session Chair: Yuichi Shimakawa Session Chair: Alexandra Gibbs Invited: Midori Amano Patino (Japan), Patrick Woodward (USA) |
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10:20am - 10:25am
Introduction to session 10:55am - 11:25am
Complex A-site magnetism in quadruple perovskite materials 1ICR, Kyoto University, JP; 2Hakubi Center for Advanced Research, Kyoto University, JP; 3Institute of Materials Structure Science, KEK, JP; 4ISIS Neutron and Muon Source, UK; 5Department of Physics, University of Oxford, UK; 6CSEC, The University of Edinburgh, UK 11:25am - 11:45am
Charge order-disorder crossover and Co-O bond anomalies in the Co3O2BO3 ludwigite 1quot;Gleb Wataghin" Institute of Physics, University of Campinas (UNICAMP), Campinas, São Paulo, 13083-859, Brazilb Wataghin” Institute of Physics, University of Campinas (UNICAMP); 2Instituto de Física, Universidade Federal Fluminense, Campus da Praia Vermelha, Niterói, RJ, 24210-346, Brazil; 3European Synchrotron Radiation Facility, 38043 Grenoble, France; 4Instituto de Física, Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS, 90040-060, Brazil; 5Institut Laue Langevin, 38042 Grenoble, France; 6Institut Néel / CNRS-UJF, 38042 Grenoble, France; 7Departamento de Física , Universidade Federal de Minas Gerais, Belo Horizonte, MG, 31270-901, Brazil 11:45am - 12:05pm
Competition between spin-orbit coupling and molecular orbital crystal in pyrochlore ruthenate In2Ru2O7 1ISIS Neutron and Muon Source, Didcot, United Kingdom; 2Max Planck Institute for Solid State Research, Stuttgart, Germany; 3Institute for Functional Matter and Quantum Technologies, University of Stuttgart, Stuttgart, Germany; 4School of Chemistry, University of St Andrews, St Andrews, United Kingdom; 5Department of Physics, University of Tokyo, Tokyo, Japan 12:05pm - 12:25pm
Cation order and magnetic behaviour in mixed metal bismuth scheelite Bi3FeMo2O12 1School of Chemistry, University of Sydney, Sydney, NSW 2006, Australia; 2Department of Chemistry & Biochemistry, University of South Carolina, 1212 Greene Street, Columbia, SC 29208; 3Australian Centre for Neutron Scattering, ANSTO, New Illawarra Road, Lucas Heights NSW 2234, Australia 12:25pm - 12:45pm
Correlated disorder-to-order crossover in the local structure of KxFe2-ySe2-zSz superconductor 1Brookhaven National Laboratory, Upton, NY, United States of America; 2IESL FORTH, Heraklion, Greece; 3University of Erlangen-Nuremberg, Erlangen, Germany.; 4Oak Ridge National Laboratory, Oak Ridge, TN, United States |
10:20am - 12:45pm | MS-19: Crystal structures of pharmaceutical and organic compounds from electron diffraction Location: Terrace 2A Session Chair: Ute Kolb Session Chair: Petr Brazda Invited: Enrico Mugnaioli (Italy), Brent Nannega (USA) |
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10:20am - 10:25am
Introduction to session 10:55am - 11:25am
Strategies for structure solution of small-molecule organics by 3D ED using a small beam 1Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, Pisa 56127, Italy; 2NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, Brussels1050, Belgium 11:25am - 11:45am
The crystal structure determination of an organic dye with triclinic symmetry by electron diffraction 1LENS, MIND/IN2UB, University of Barcelona, Barcelona, Catalonia; 2Institut für Angewandte Geowissenschaften, Technische Universität Darmstadt, Darmstadt, Germany; 3Fyzikální Ústav, Akademie vĕd České Republiky, Prague, Czech Republic; 4NanoMegas SPRL, Brussels, Belgium; 5Institut für Anorganische Chemie und Analytische Chemie, Goethe-Universität Frankfurt, Frankfurt, Germany; 6Institut für Anorganische Chemie und Analytische Chemie, Johannes Gutenberg-Universität Mainz, Mainz, Germany |
10:20am - 12:45pm | MS-20: Dynamic frameworks Location: Club C Session Chair: Christopher SUMBY Session Chair: Michael John Zaworotko Invited: Hoi Ri Moon (Republic of Korea), Yao Chen (China) |
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10:20am - 10:25am
Introduction to session 12:05pm - 12:25pm
Cocrystallization, high pressure/low temperature behaviour and vapochromism in a family of aurophilic copper-gold supramolecular networks. 1Department of Chemistry, Università di Torino, Via Pietro Giuria 7, 10125 Torino, Italy; 2Department of Earth sciences, University of Torino, Via Valperga Caluso 35, 10125, Turin, Italy; 33Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Viale G. P. Usberti 17A, 43100 Parma, Italy 12:25pm - 12:45pm
Structural modifications occurring during the water sorption processes on a potential material for autonomous indoor humidity control 1University of Dschang, Department of Chemistry, PO Box 67, Dschang, Cameroon; 2Fraunhofer-Institut for Solar Energy Systems ISE, Division Thermal Systems and Buildings, Heidenhofstraße 2, 79110 Freiburg, Germany; 3Institut für Anorganische Chemie und Strukturchemie, Heinrich-Heine-Universität Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany; 4Laboratoire Léon Brillouin (LLB), UMR 12 CEA/CNRS, Bât. 563 CEA Saclay, 91191 Gif-sur-Yvette cedex, France |
10:20am - 12:45pm | MS-21: Structure, modeling and properties of quasicrystals Location: Club B Session Chair: Michael Engel Session Chair: Cesar Baban Pay Gómez Invited: Tsunemoto Yamada (Japan), Priya Subramanian (UK) |
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10:20am - 10:25am
Introduction to session 10:55am - 11:25am
How to determine thermodynamically stable soft matter quasicrystals efficiently? 1Mathematical Institute, University of Oxford, Oxford OX2 6GG, United Kingdom; 2Department of Mathematics, Physics and Electrical Engineering, Northumbria University, Newcastle upon Tyne NE1 8ST, United Kingdom; 3School of Mathematics, University of Leeds, Leeds LS2 9JT, United Kingdom; 4Department of Mathematical Sciences and Interdisciplinary Centre for Mathematical Modelling, Loughborough University, Loughborough LE11 3TU, United Kingdom 12:05pm - 12:25pm
Molecular dynamics simulation of complex alloy structures 1Department of Information Systems, Graduate School of Engineering, Saitama Institute of Technology; 2Department of Information Systems, Faculty of Engineering, Saitama Institute of Technology; 3Advanced Science Research Laboratory, Saitama Institute of Technology 12:25pm - 12:45pm
Atomic resolution holography for characterizing the local structure in quasicrystals 1Dept. of Applied Chemistry, Hiroshima University, Higashi-Hiroshima 739-8527, Japan; 2Dept. of Physics, Kumamoto University, Kumamoto 860-8555, Japan; 3Dept. of Physical Science and Engineering, Nagoya Institute of Technology, Aichi 466-8555, Japan; 4Univ. Grenoble Alpes, CNRS, Institut Néel, Grenoble 38042, France; 5Univ. Grenoble Alpes, CNRS, SIMaP, Grenoble F-38000, France |
10:20am - 12:45pm | MS-22: Methods and software developments for magnetic-structure analysis Location: 223-4 Session Chair: J. Manuel Perez-Mato Invited: Juan Rodriguez-Carvajal (Spain), Václav Petříček (Czech Republic) |
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10:20am - 10:25am
Introduction to session 12:25pm - 12:45pm
Global optimization of magnetic structure analysis by semidefinite relaxation method 1Kyushu University, 744 Moto’oka, Nishi-Ward, Fukuoka, Japan; 2NISSAN ARC Ltd., 1 Natsushima-cho, Yokosuka, Kanagawa, Japan; 3High Energy Accelerator Research Organization, 203-1 Shirakata, Tokai, Naka, Ibaraki, Japan |
10:20am - 12:45pm | MS-23: Ptychography: present and near future Location: Club D Session Chair: Manuel Guizar Sicairos Session Chair: Julio Cesar da Silva Invited: Chris Jacobsen (USA), Julian Reinhardt (USA) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Ptychography: how it has developed, and where it might lead Argonne Lab/Northwestern University, Argonne, United States of America 10:55am - 11:25am
Collaborative software solutions and data standards for ptychographic Imaging 1Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States; 2Center for Advanced Mathematics for Energy Research Applications (CAMERA), Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States; 3National Energy Research Scientific Computing Center (NERSC) Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States; 4Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, United States; 5National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973, United States 11:45am - 12:05pm
Imaging of synapses in 3D with non-destructive synchrotron X-ray ptychography 1The Francis Crick Institute, London, United Kingdom; 2cSAXS beamline, Paul Scherrer Institut, Villigen, Switzerland; 3ID16A beamline, ESRF, Grenoble, France; 4Electron Microscopy Facility, Paul Scherrer Institut, Villigen, Switzerland 12:05pm - 12:25pm
Spectral X-ray ptychography for the investigation of technical catalysts 1Univ. Grenoble Alpes, CNRS, Grenoble INP, Institut Néel, 38000 Grenoble, France; 2King Abdullah University of Science and Technology, KAUST Catalysis Center, Advanced Functional Materials, Thuwal 23955, Saudi Arabia; 3King Abdullah University of Science and Technology, Core Labs, Thuwal 23955, Saudi Arabia 12:25pm - 12:45pm
Coupled ptychography and tomography reconstruction of experimental data 1Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany; 2Department Physik, Universität Hamburg, Hamburg, Germany; 3Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, Karlsruhe,, Germany; 4Institute of Catalysis Research and Technology, Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen, Germany; 5Institute of Chemical Reaction Engineering, Friedrich-Alexander-University Erlangen-Nürnberg, Erlangen, Germany |
10:20am - 12:45pm | MS-24: Data-driven discovery in crystallography Location: Club H Session Chair: Olivier C. Gagné Session Chair: Anton Oliynyk Invited: Wenhao Sun (USA), Aria Mansouri Tehrani (Switzerland) |
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10:20am - 10:25am
Introduction to session 11:25am - 11:45am
Beyond the constraints of chemistry: Crystal structure discovery in particle simulations 1University of Michigan, Ann Arbor, MI, USA; 2Cornell University, Ithaca, NY, USA; 3University of California, San Francisco, CA, USA; 4Argonne National Laboratory, Argonne, IL, USA; 5Friedrich-Alexander University Erlangen-Nürnberg, Erlangen, Germany 12:25pm - 12:45pm
Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database 1Innovation center of the Faculty of Chemistry, Belgrade, Serbia; 2Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Belgrade, Serbia; 3Faculty of Chemistry, Belgrade University, Belgrade, Serbia |
10:20am - 12:45pm | SF-2: Software Fayre 2 Location: 221-2 Session Chair: Martin Lutz |
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12:45pm - 2:45pm | Lunch 2: Exhibition, posters, lunches Location: Exhibition and poster area |
12:45pm - 2:45pm | Meeting ECA1: ECA Council Meeting Location: Club H Session Chair: Udo Heinemann Session Chair: Arie van der Lee ECA council meeting 1 |
1:30pm - 2:00pm | CS-2: Commercial session: Xenocs Location: Terrace 2A Session Chair: Jerome Boutant Session Chair: Milan Dopita 30 min company presentation |
2:00pm - 2:30pm | CS-3: Why Spot-Cap® is the best option for protein purification (Chromotek) Location: Terrace 2A Session Chair: Milan Dopita 30 min company presentation |
2:45pm - 5:10pm | MS-25: Structural biology against coronavirus/covid-1 Location: Club A Session Chair: Sarah EJ Bowman Session Chair: Lu Zhang Session Chair: Gianluca Santoni Invited: Xuhui Huang (China) |
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2:45pm - 2:50pm
Introduction to session 3:20pm - 3:40pm
Co-crystallization of hepatitis C virus NS3/4A inhibitors and SARS-CoV-2 main protease using high density acoustic droplet ejection (ADE) 1Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY 11973-5000, United States; 2Biology Department, Brookhaven National Laboratory, Upton, NY 11973-5000, United States; 3National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, United States 3:40pm - 4:00pm
Structural basis of mRNA cap modification by SARS-CoV-2: Role of metal ions and implications for COVID-19 severity by emerging variants 1University of Texas Health at San Antonio, San Antonio, USA; 2New England Biolabs, Ipswich, USA; 3Texas Biomedical Research Institute, San Antonio, USA 4:00pm - 4:20pm
Crystallographic fragment screening of SARS-CoV-2 drug discovery targets 1Diamond Light Source Ltd, Didcot, United Kingdom; 2Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, OX11 0FA, UK; 3Centre for Medicines Discovery, University of Oxford, Old Road Campus, Roosevelt Drive, Headington, OX3 7DQ, UK; 4Department of Biochemistry, University of Johannesburg, Auckland Park, 2006, South Africa 4:40pm - 5:00pm
Structure of SARS-CoV-2 papain-like protease PLpro reveals a framework for antiviral inhibitor design 1Universität Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.; 2Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany.; 3Dr. Panjwani Center for Molecular Medicine and Drug Research International Center for Chemical and Biological Sciences (ICCBS), University of Karachi, Karachi-75270, Pakistan.; 4Hamburg Centre for Ultrafast Imaging (CUI), Universität Hamburg, Luruper Chaussee 149, 22761, Hamburg, Germany. |
2:45pm - 5:10pm | MS-26: Solution scattering and combined techniques for biological systems, including component dynamics Location: Club B Session Chair: Frank Gabel Session Chair: Masaaki Sugiyama Invited: Mitsunori Ikeguchi (Japan), Anne Martel (France) |
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2:45pm - 2:50pm
Introduction to session 4:30pm - 4:50pm
Application of a lanthanide tag for evaluation of conformational states of a multidomain protein 1Institute of Advanced Medical Sciences, Tokushima University, Tokushima, Japan; 2Materials Sciences Research Center, Japan Atomic Energy Agency, Tokai, Japan; 3Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Japan; 4Instrument Center, Institute for Molecular Science, Okazaki, Japan; 5Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo, Japan 4:50pm - 5:10pm
An Objective Metric to Guide Background Correction and Interepretation of Small Angle X-ray Scattering Data 1Institute of Nanostructure and Solid State Physics, Universität Hamburg, Hamburg, Germany; 2The Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany; 3Hauptman-Woodward Medical Research Institute, Buffalo, NY, USA |
2:45pm - 5:10pm | MS-27: New trends in pharmaceutical materials Location: Club D Session Chair: Nikoletta B. Bathori Session Chair: Laszlo Fabian Invited: Tonglei Li (USA), Doris Braun (Austria) |
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2:45pm - 2:50pm
Introduction to session |
2:45pm - 5:10pm | MS-28: Theory and practice of supramolecular synthons in crystal engineering Location: Club C Session Chair: Seiji Tsuzuki Session Chair: Alessia Bacchi |
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2:45pm - 2:50pm
Introduction to session 3:50pm - 4:10pm
Combining modified CCDC tools to predict multicomponent formation: co-crystals of nevirapine and benzoic derivatives 1Instituto de Ciência e Tecnologia, Universidade Federal de São Paulo, 12231-280 São José dos Campos, Brazil; 2Laboratorio de Estudios Cristalográficos, Instituto Andaluz de Ciencias de la Tierra, CSIC, 18100 Armilla, Granada, Spain; 3Cambridge Crystallographic Data Centre, Cambridge, CB2 1EZ, United Kingdom; 4Instituto de Química y Fisica Rocasolano, CSIS, 28006 Madrid, Spain |
2:45pm - 5:10pm | MS-29: Texture, strain and structure in metals and ceramics Location: 223-4 Session Chair: David Rafaja Ivnited: Efthymios Polatidis (Switzerland), Jana Šmilauerová (Czech Republic) |
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2:45pm - 2:50pm
Introduction to session 4:10pm - 4:30pm
Mechanisms of elastic-plastic deformation in magnesium alloy studied using neutron diffraction and crystallite group method 1AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland; 2Joint Institute for Nuclear Research, Frank Laboratory of Neutron Physics, Joliot-Curie 6, Dubna 141980, Russia 4:30pm - 4:50pm
Texture and eco-piezoceramics 1Centro de Investigación en Materiales Avanzados, S.C., Chihuahua, Mexico; 2European Synchrotron Radiation Facility, Grenoble, France; 3Diamond Light Source, Didcot, UK; 4Universidad Autónoma de Chihuahua, Chih., México; 5Instituto de Ciencia de Materiales de Madrid, Madrid, Spain 4:50pm - 5:10pm
Superhardness in boron carbide through nanostructuration 1Sorbonne Université, CNRS, Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP), Paris, France.; 2Sorbonne Université, CNRS, Institut de Minéralogie, Physique des Matériaux et Cosmochimie (IMPMC), Paris, France.; 3Sorbonne Université, CNRS, Institut des Matériaux de Paris Centre (IMPC), Paris, France.; 4Sorbonne Université, Collège de France, CNRS, Chimie du Solide et de l'Energie (CSE), Paris, France. |
2:45pm - 5:10pm | MS-30: Magnetic structures of novel and functional materials Location: Club H Session Chair: Virginie Simonet Session Chair: Václav Petříček Invited: Wei Tian (USA), Jonathan White (Switzerland) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
IInvestigating the nature of the magnetoelectric coupling in molecular (ND4)2[FeCl5(D2O)] via neutron scattering studies Oak Ridge National Laboratory, Oak Ridge, United States of America 3:50pm - 4:10pm
Novel incommensurate magnetic phase in the magnetoelectric Sr-doped cobaltate CaBaCo4O7 1Comisión Nacional de Energía Atómica–Laboratorio Argentino de Haces de Neutrones, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 2Laboratorio de Cristalografía Aplicada, Escuela de Ciencia y Tecnología, Universidad Nacional de San Martín, Martín de Irigoyen 3100, Campus Miguelete, San Martín (1650), Buenos Aires, Argentin; 3Instituto de Nanociencia y Nanotecnología CNEA-CONICET, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 4Instituto Balseiro, Universidad Nacional de Cuyo - Comisión Nacional de Energía Atómica, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 5Instituto de Ciencia de Materiales de Aragón (CSIC - Universidad de Zaragoza) and Departamento de Física de Materia Condensada, Universidad de Zaragoza. C/Pedro Cerbuna 12, E-50009 Zaragoza, Spain; 6Institut Laue Langevin. 71, Av des Martyrs, BP 156 F-38042 Grenoble, France; 7Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland; 8Comisión Nacional de Energa Atómica and CONICETLaboratorio Argentino de Haces de Neutrones. Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina 4:30pm - 4:50pm
Structural phase transition and magnetic phase diagram of the lacunar spinel GaMo4Se8 1Diffraction group, Institut Laue-Langevin (ILL) Grenoble, France; 2Department of Physics, University of Liverpool, United Kingdom; 3Department of Chemistry, University of Liverpool, United Kingdom |
2:45pm - 5:10pm | MS-31: Recent advances in instrumentation Location: Terrace 2B Session Chair: Ehrenfried Zschech Session Chair: Michele Cianci Invited: Wenbing Yun (USA), Andrew Thomson (France) |
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2:45pm - 2:50pm
Introduction to session 4:00pm - 4:20pm
Development of a high pressure option for neutron scattering experiments at low temperatures and high magnetic fields at the MLZ 1Jülich Centre for Neutron Science-2/Peter Grünberg-Institute-4, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany; 2Institute for Crystallography, RWTH Aachen University, 52056 Aachen, Germany; 3Jülich Centre for Neutron Science at Heinz Maier-Leibnitz Zentrum, Forschungszentrum Jülich GmbH, 85747 Garching, Germany; 4Heinz Maier-Leibnitz Zentrum, Technische Universität München, 85747Garching, Germany; 5Physik-Department E21, Technische Universität München, 85748 Garching, Germany |
2:45pm - 5:10pm | MS-32: Recent advances in electron crystallography techniques Location: Terrace 2A Session Chair: Jim Ciston Session Chair: Mauro Gemmi Invited: Hongyj Xu (Sweden), Emanuela Liberti (UK) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Quantitative electron ptychography for simultaneous light and heavy elements atom counting 1University of Oxford, Oxford, United Kingdom; 2electron Physical Science Imaging Centre (ePSIC), Diamond Light Source, Didcot, UK; 3The Rosalind Franklin Institute, Harwell Campus, Didcot, UK 4:30pm - 4:50pm
Direct Imaging of Metal Additives on Au Nanocube Surface Using 4D-STEM 1Department of Materials Science and Engineering; 2School of Chemistry; 3ARC Centre of Excellent in Exciton Science; 4School of Physics and Astronomy; 5Monash Centre for Electron Microscopy, Monash University, Victoria 3800, Australia; 6State Key Laboratory of Surface Physics and Department of Department of Physics, Fudan University, Shanghai 200433, China 4:50pm - 5:10pm
Real space frequency analysis of electron diffuse scattering for lattice distortion determination in real crystals University of Illinois at Urbana-Champaign, Urbana, United States of America |
2:45pm - 5:10pm | SMS-2: Exemplary practice in chemical, biological and materials database archiving Location: 221-2 Session Chair: Suzanna Ward Session Chair: Genji Kurisu Invited: Ian Bruno (UK), Stephen Burley (USA) |
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2:45pm - 2:50pm
Introduction to session |
5:10pm - 6:10pm | Afternoon break 2: Poster session A2, exhibition, coffee/tea Location: Exhibition and poster area |
5:10pm - 6:10pm | Poster - 09 Automation in bio: Automation in biocrystallography Session Chair: Santosh Panjikar Session Chair: Melanie Vollmar
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Poster session abstracts A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs 1Stony Brook University, Stony Brook, NY, 11794-2424, USA; 2Johns Hopkins University, 725 N Wolfe St., Baltimore, MD, 21205, USA; 3Brookhaven National Laboratory, P.O. Box 5000, Upton, NY, 11973-5000, USA; 4Ronin Institute for Independent Scholarship, 9515 NE 137th St., Kirkland, WA, 98034, USA Macromolecular refinement at any resolution using shift field optimization and regularization University of York, YORK, United Kingdom |
5:10pm - 6:10pm | Poster - 10: Solution scattering Session Chair: Frank Gabel Session Chair: Masaaki Sugiyama
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Poster session abstracts Stoichiometric unfolding of bovine serum albumin by surfactant, as revealed from HPLC/SAXS with online observation of UV-Vis absorption and refractive index. 1National Synchrotron Radiation Research Center, Hsinchu, Taiwan; 2Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan Study of protein-protein interactions of human E3 ubiquitin ligase NEDD4-2 using fluorescence spectroscopy 1Department of Structural Biology of Signaling Proteins, Division BIOCEV, Institute of Physiology of the Czech Academy of Sciences, 252 50 Vestec, Czech Republic; 2Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University, 12843 Prague, Czech Republic. Determining the role of TIR domain of Interleukin-1 receptor 8 (SIGIRR) in regulating TLR4 signalling 1University of Queensland, Brisbane, QLD 4072, Australia; 2Institute for Glycomics, Griffith University, Southport, QLD 4222, Australia; 3Institute of Molecular Bioscience, University of Queensland, Brisbane, QLD 4072, Australia Forbidden reflections induced by unit-cell elastic distortions in paratellurite crystals 1FSRC “Crystallography and photonics” RАS, Moscow, Russia; 2NRC “Kurchatov Institute”, Moscow, Russia; 3Lomonosov Moscow State University, Moscow, Russia; 4DESY, Hamburg, Germany; 5Freiberg University of Mining and Technology, Freiberg, Germany A New Biological Small- and Wide-Angle X-ray Scattering Beamline Featured in High Flux, USAXS, and Microbeam at Taiwan Photon Source 1National Synchrotron Radiation Research Center, Hsinchu, Taiwan; 2Institute of biochemical sciences & Institute of biological chemistry, Academia Sinica , Taiwan; 3Department of Chemical Engineering, National Tsing Hua University, Taiwan Employing high-end X-ray technologies for laboratory structural biology in Centre of Molecular Structure 1Institute of Biotechnlogy, CAS, Vestec u Prahy, Czech Republic; 2Anton Paar GmbH, Anton-Paar-Strasse 20, Graz |
5:10pm - 6:10pm | Poster - 11 Viruses: Structural biology of viruses
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Poster session abstracts 3DBionotes Covid-19 Edition 1Spanish National Bioinformatics Institute (INB ELIXIR-ES). Biocomputing Unit, National Center for Biotechnology (CNB-CSIC). Instruct Image Processing Center; 2Research Collaboratory for Structural Bioinformatics Protein Data Bank. San Diego Supercomputer Center, University of California, San Diego, La Jolla; 3Diamond Light Source Ltd. (DLS), Oxford shire, UK; 4Institute for Nanostructure and Solid State Physics, HARBOR, Universität Hamburg, Germany Crystal structure of the C24 protein from the Antarctic bacterium Bizionia argentinensis JUB59, a putative long tail fiber receptor-binding tip from a novel temperate bacteriophage 1Fundación Instituto Leloir, IIBBA-CONICET, Buenos Aires, Argentina; 2Instituto de Bacteriología y Virología Molecular IBAVIM, Universidad de Buenos Aires, Buenos Aires, Argentina; 3Instituto NANOBIOTEC, Universidad de Buenos Aires, Buenos Aires, Argentina; 4Synchrotron SOLEIL, Gif-sur-Yvette, France; 5Instituto Carlos Chagas - Fund. Oswaldo Cruz, Curitiba, Brazil; 6Instituto Antártico Argentino, Buenos Aires, Argentina The role of structural biology in pandemic`s puzzles: amino acids and short peptides as key players 1Technical University of Lodz, Poland, Lodz, Poland; 2Institute for Health and Sport, Victoria University, Melbourne, VIC 3030, Australia; 3NewDrug, Patras Science Park, 26500 Patras, Greece; 4Department of Physiology and Pharmacology, Cumming School of Medicine, University of Calgary, Canada; 55 Institute for Sustainable Industries and Liveable Cities, Victoria University, Melbourne, Australia; 6AquaMem Consultants, Rodeo, New Mexico, USA; 7Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Pawinskiego 5a, 02-106 Warsaw, Poland; 8Department of Systems Biology, Institute of Experimental Plant Biology and Biotechnology, University of Warsaw, Miecznikowa 1, 02-096 Warsaw, Poland |
5:10pm - 6:10pm | Poster - 12 Supramolecular: Theory and practice of supramolecular synthons in crystal engineering Session Chair: Alessia Bacchi Session Chair: Seiji Tsuzuki
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Poster session abstracts Conformational polymorphism of a pharmaceutical cocrystal involving niflumic acid and caffeine 1Laboratorio de Estudios Cristalográficos, IACT, CSIC, Armilla (Granada), Spain; 2Hospital Universitario Virgen de las Nieves, Granada, Spain; 3Department of Inorganic Chemistry, University of Granada, Granada, Spain Crystal structure studies, computational analysis, and hydrogen bonding attributes of halogen bonded sulfonyl Schiff bases 1Department of Physics, School of Sciences-I, JAIN ( deemed to be University), Bangalore 560011, India.; 2Department of Studies in Physics, Manasagangotri, University of Mysore, Mysuru 570 006, India.; 3Department of Spice and Flavor Science, CSIR-CFTRI, Mysuru 570020, India. Cocrystals of ethenzamide with polyphenols: Solid state characterization and preliminary evaluation of biopharmaceutical parameters. 1Laboratorio de Estudios Cristalográficos, IACT, CSIC, Armilla (Granada), Spain; 2Hospital Universitario Virgen de las Nieves, Granada, Spain; 3Department of Inorganic Chemistry, University of Granada, Granada, Spain Crystal engineering concepts in the design and synthesis of a series of novel, structurally related spin-crossover materials, characterized by variable temperature single crystal X-ray diffraction. School of Physical Sciences, Ingram Building, University of Kent, Canterbury, CT2 7NH Synthesis, Crystal Structure, Vibrational Study and DFT Computation of Barium Dihydrogenomonophosphate Ba(H2PO4)2 1Laboratory of chemistry-physics of materials LCPM, Faculty of Sciences Ben M’Sik, B.P7955, Hassan II University of Casablanca, Morocco;; 2Institute of General and Ecological Chemistry, Łód´z University of Technology, 116 Zeromskiego St., 90-924 Lodz, Poland; 3Department of Chemistry, University of Liverpool, CrownStreet, Liverpool L697ZD, UK;; 4Laboratory of chemistry-physics of materials LCPM, Faculty of Sciences Ben M’Sik, B.P7955, Hassan II University of Casablanca, Morocco;; 5Regional Center of the education and training trades Anfa Bd BirAnzarane Casablanca. Morocco;; 6Laboratory of chemistry-physics of materials LCPM, Faculty of Sciences Ben M’Sik, B.P7955, Hassan II University of Casablanca, Morocco; |
5:10pm - 6:10pm | Poster - 13 Data: Crystallographic data Session Chair: Olivier C. Gagné Session Chair: Anton Oliynyk
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Poster session abstracts Role of hydrogen bonding in modifications of impact sensitivities of high energetic materials: evidence from crystal structures and quantum chemical calculations 1University of Belgrade - Faculty of Chemistry, Studentski trg 12 - 16, Belgrade, Serbia; 2University of Belgrade – Institute of Chemistry, Technology and Metallurgy – National Institute of the Republic of Serbia, Njegoševa 12, Belgrade, Serbia; 3Innovation center of the Faculty of Chemistry, Studentski trg 12-16, Belgrade, Serbia Improvements to the data search and validation functionality in the Crystallography Open Database 1Vilnius University, Life Sciences Center, Institute of Biotechnology, Saulėtekio 7, LT-10257 Vilnius, Lithuania; 2Departamento de Química Inorgánica, Universidad de Granada, 18071, Granada, Spain; 3Vilnius University, Faculty of Mathematics and Informatics, Naugarduko 24, LT-03225 Vilnius, Lithuania |
5:10pm - 6:10pm | Poster - 14 Instrumentation: Advances in instrumentation Session Chair: Michele Cianci Session Chair: Ehrenfried Zschech
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Poster session abstracts Serial and Macromolecular Crystallography at beamline P11, Petra III 1Photon Science, Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany; 2University of Lübeck, Lübeck, Germany; 3Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany Development of high-speed capillary spinner cell for in-situ powder diffraction under gas pressure control 1Japan Synchrotron Radiation Research Institute (JASRI), SPring-8, Sayo, Hyogo, 679-5198, Japan; 2Institute for Integrated Cell-Material Sciences, Kyoto University, Kyoto 606-8501, Japan,; 3Department of Physical Science, Osaka Prefecture University, Sakai, Osaka 599 8531, Japan |
5:10pm - 6:10pm | Poster - 15 Films: Crystallographic analysis of thin films and surfaces Session Chair: Milan Dopita
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Poster session abstracts Investigating the crystallization behavior of Ge-rich GST PCMs with in-situ synchrotron XRD 1Aix-Marseille Université, CNRS, IM2NP UMR 7334, Marseille, France; 2Synchrotron SOLEIL, Saint-Aubin, France; 3ID01/ESRF, The European Synchrotron, 71 rue des Martyrs, 38043 Grenoble, France; 4STMicroelectronics, 850 rue Jean Monnet, 38920 Crolles, France; 5STMicroelectronics, 190 Ave Coq, 13106 Rousset, France Ion implantation into ZrNb nanometric multilayers 1Charles University, Faculty of Mathematics and Physics, Praha 2, Czech Republic; 2Czech Technical University in Prague, Department of Materials, Praha 2, Czech Republic; 3Czech Technical University in Prague, Department of Control Engineering, Praha 6, Czech Republicc; 4Research Centre Řež, Husinec-Řež, Czech Republic; 5Department of Materials Science and Metallurgy, University of Cambridge, UK; 6Nuclear Physics Institute CAS, 250 68 Řež, Czech Republic |
5:10pm - 6:10pm | Poster - 16 Texture, defects: Texture, strain, stress, real structure Session Chair: David Rafaja
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Poster session abstracts X-ray peak profile analysis with variance method for the evaluation of dislocation microstructure of copper single crystals loaded in the gigacycle fatigue domain 1Laboratoire PIMM, Arts et Métiers Institute of Technology, CNRS, HESAM Université, Paris, France; 2Synchrotron SOLEIL, France Shape and lattice deformation contributions to powder scattering 1ISIS Neutron and Muon Facility, UKRI-Science and Technical Facility Council, Didcot, United Kingdom; 2Institute for Multiscale Simulation, Friedrich-Alexander University Erlangen-Nürnberg; 3Saudi Aramco Research & Development Center Texture analysis of strongly oriented MAPbI3 layers using fast reciprocal-space mapping 1Charles University, Faculty of Mathematics and Physics, Prague, Czech Republic; 2Centre for Advanced Photovoltaics, Faculty of Electrical Engineering, Czech Technical University in Prague, 166 27 Prague, Czech Republic; 3Institute of Physics, Czech Academy of Sciences, 162 00 Prague, Czech Republic Microstrain and texture in rotary swaged W-Ni-Co pseudoalloy 1Nuclear Physics Institute, Řež, Czech Republic; 2Faculty of Materials Science and Technology, VŠB-Technical University of Ostrava, 70800 Ostrava-Poruba, Czech Republic; 3European Spallation Source ERIC, 225 92 Lund, Sweden Deformation behavior of extruded ZN11 magnesium plate 1Charles University, Faculty of Mathematics and Physics, Department of Physics of Materials, Prague, Czech Republic; 2Helmholtz-Zentrum Hereon, Institute of Material and Process Design, Department of Material Design, Geesthacht, Germany |
6:10pm - 7:00pm | KN-10: Gjonnes medal lecture Location: Terrace 2A Session Chair: Louisa Meshi Ute Kolb, Sven Hovmöller |
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6:10pm - 7:00pm | KN-11: Dithiadiazolyl radicals as building blocks for molecular magnetic materials Location: Terrace 2B Session Chair: Václav Petříček Delia Haynes |
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6:10pm - 7:00pm | KN-12: Structural hybrid methods to probe membrane transport nanomachines in pathogenic bacteria Location: Club A Session Chair: Julie Bouckaert Natalie Strynadka |
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7:15pm - 10:15pm | IUCr-2: IUCr assembly Location: Club H Session Chair: Sven Lidin Session Chair: Luc Van Meervelt Session Chair: Alex Ashcroft IUCr assembly 2 |