Session Overview |
| |
9:00am - 9:50am | KN-34: Fabrication and Characterization of Inhomogeneity-free Polymer Gels Location: Club A Session Chair: Marijana Đaković Mitsushiro Shibayama |
|
Fabrication and characterization of inhomogeneity-free polymer gels 1Comprehensive Research Organization for Science and Society, Tokai, Japan; 2The University of Tokyo, Kashiwa, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=58
|
9:00am - 9:50am | KN-35: The Science of Symmetry Breaking Location: Terrace 2A Session Chair: Oksana Zaharko Harold Stokes |
|
The science of symmetry breaking: A personal journey Brigham Young University, Provo, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=59
|
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 |
|
Metadata and checkCIF for raw diffraction data and their role in realising crystallographic science objectivity Utrecht University, Utrecht, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=29
|
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 10:25am - 10:55am
Fragment-Based Discovery of Orally Efficacious Allosteric Inhibitors of TNF-alpha AbbVie, North Chicago, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=603
10:55am - 11:25am
FragLites: a library of small molecules incorporating anomalous scatterers with applications in screening and protein interaction mapping Newcastle University, Newcastle upon Tyne, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=604
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=605
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=606
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=607
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=608
|
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 10:25am - 10:55am
Wrong organic crystal structures solved and refined from powder data Goethe Universitaet, Frankfurt am Main, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=609
10:55am - 11:25am
Probing Chemical Short-range Order and other Nanoscale Motifs in the Solid State University of Tennessee, Knoxville, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=610
11:25am - 11:45am
Multiscale structural decoding of fibrous materials by SAXS and WAXD Empa, Materials Science and Technology External Resource: https://www.xray.cz/iucrv/vidp.asp?id=611
11:45am - 12:05pm
Polarized resonant soft X-ray scattering measurements in polymer-grafted nanoparticles National Institute of Standards and Technology, Gaithersburg, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=612
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=613
12:25pm - 12:45pm
Using the Pair Angle Distribution Function for Analysing Protein Structure RMIT Univeristy, Melbourne, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=614
|
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 10:25am - 10:55am
Metastable structures, interplay of sequential deformations, and interactions between tungsten disulfide nanotubes and poly(L-lactide) studied by in situ X-ray scattering Caltech, Pasadena, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=615
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. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=616
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=617
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=618
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=619
12:25pm - 12:45pm
SAXS-revealed nanostructures of poly(ethylene glycol)-grafted phospholipid vescicles National Synchrotron Radiation Research Center, Hsinchu, Taiwan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=620
|
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=621
10:50am - 11:20am
Extraordinary Structures of Orphan Methyltransferases with Their Substrate DNA Department of Epigenetics and Molecular Carcinogenesis, The University of Texas -M.D. Anderson Cancer Center, Houston TX, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=622
11:20am - 11:40am
Structural and mechanistic basis for protein glutamylation by the kinase fold 1UT Southwestern Medical Center, Dallas, United States of America; 2Warsaw University of Life Sciences, Warsaw, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=623
11:40am - 12:00pm
Mechanism of RNA stimulated ATP hydrolysis by tick-borne encephalitis virus NS3 helicase Faculty of Science, University of South Bohemia, Ceske Budejovice, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=624
12:00pm - 12:20pm
Quinol-dependent Nitric Oxide Reductases are dimers in cryoEM structures University of Liverpool, Liverpool, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=625
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=626
|
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 10:25am - 10:55am
Understanding s- and π-hole centered interactions in crystals from electron density analysis IISER Bhopal, Bhopal, India External Resource: https://www.xray.cz/iucrv/vidp.asp?id=627
10:55am - 11:25am
Harnessing non-covalent interactions towards the isolation of novel actinide structural units Georgetown University, Washington, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=628
11:25am - 11:45am
Stacking interactions of chelate rings of transition metal complexes University of Belgrade - Faculty of Chemistry, Belgrade, Serbia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=629
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=630
12:05pm - 12:25pm
Hydrogen bond architecture in a series of allylamine and normal alcohols (C1-C10) cocrystals. 1University of Warsaw, Warsaw, Poland; 2Warsaw University of Technology, Warsaw. Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=631
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=632
|
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 10:25am - 10:55am
Discrete polyoxometalates: from geochemistry via crystal engineering to functional materials Jacobs University, Bremen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=633
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=634
11:25am - 11:45am
A Crystal Flask Composed of Huge Cage-of-Cage Metallosupramolecules for the Formation of Polyoxomolybdate Osaka University, Osaka, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=635
11:45am - 12:05pm
Autonomous Recombination and Selfhealing of Fracture in Piezoelectric Organic Crystals: Scopes in Crystal Engineering Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Kolkata, India External Resource: https://www.xray.cz/iucrv/vidp.asp?id=636
12:05pm - 12:25pm
Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method. University College London, London, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=637
12:25pm - 12:45pm
Correlated Linker Disorder in Metal-Organic Frameworks University of Oxford, Oxford, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=638
|
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=639
10:55am - 11:25am
Advanced methods for the study of chemical systems by X-ray Absorption Spectroscopy University of Rome La Sapienza, Rome, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=640
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=641
11:45am - 12:05pm
Treatment of disorder effects in X-ray absorption spectra by reverse Monte-Carlo simulations: CuMoO4 case Institute of Solid State Physics, University of Latvia, Riga, Latvia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=642
12:05pm - 12:25pm
Novel advanced methods in XAS – XERT and Hybrid Techniques University of Melbourne, Parkville, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=643
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" External Resource: https://www.xray.cz/iucrv/vidp.asp?id=644
|
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 10:25am - 10:55am
Crystallography schools and other educational activities in Latin America during the COVID-19 pandemic ITECA, UNSAM-CONICET, ECyT, Laboratorio de Cristalografía Aplicada, San Martín, Pcia. de Buenos Aires, Argentina External Resource: https://www.xray.cz/iucrv/vidp.asp?id=645
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=646
11:25am - 11:45am
Crystallographic education in real and reciprocal spacechromechrome DECTRIS, Baden-Daettwil, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=647
11:45am - 12:05pm
Teaching crystallographic symmetry in Latin America. A 10-year review and perspectives. Facultad de Química, Universidad de la República, Montevideo, Uruguay External Resource: https://www.xray.cz/iucrv/vidp.asp?id=648
12:05pm - 12:25pm
High impact crystallography skills development through local undergraduate curriculum and regional workshops and schools Wilfrid Laurier University, Waterloo, Canada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=649
12:25pm - 12:45pm
Crystallography for all – Using the CSD to help promote interdisciplinarity in science The Cambridge Crystallographic Data Centre (CCDC), Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=650
|
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 10:25am - 10:55am
Computational challenges in the search for better superconducting hydrides University of Cambridge, Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=717
10:55am - 11:25am
Room-temperature superconductivity in compressed polyhydrides Skolkovo Institute of Science and Technology, Moscow, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=718
11:25am - 11:55am
Electronegativity and Mendeleev number: redefinition of two important atomic chemical descriptors Skoltech, Moscow, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=719
|
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 2:50pm - 3:20pm
Structural Insights into the Temperature-induced Color Changes of [(CH3)2NH2]2NiCl4 Southern Methodist University, Dallas, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=84
3:20pm - 3:50pm
Smart Molecular Materials: Synthesis, Structure and Properties University of Kent, Canterbury, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=85
3:50pm - 4:10pm
Ultra-Fast Rotors and Light Emitting Ligands in Metal-Organic Frameworks University of Milano Bicocca, Milano, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=86
4:10pm - 4:30pm
Shape-memory effects in molecular crystals 1New York University, Abu Dhabi, United Arab Emirates; 2Diamond Light Source, Didcot, Oxfordshire, OX11 0DE, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=87
4:30pm - 4:50pm
Low-power photo-carving of dye-volatile cocrystals: The sublime cutting edge of light-responsive materials McGill University, Montréal, Canada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=88
4:50pm - 5:10pm
Crystal locomotion driven by photo-triggered phase transition 1Graduate school of Advanced Science and Engineering, Waseda University, Tokyo, Japan; 2Research Organization for Nano & Life Innovation, Waseda University, Tokyo, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=89
|
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 |
|
2:45pm - 3:05pm
Towards an iterative exploration of novel materials exhibting electronic phase transitions Northwestern University, Evanston, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=8
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=91
3:25pm - 3:45pm
Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO4 Malvern Panalytical, Almelo, Netherlands, The External Resource: https://www.xray.cz/iucrv/vidp.asp?id=92
3:45pm - 4:05pm
Crystal structure of a new polymorph of Sr2TiO4 with tetrahedral titanium University of Geneva, Quai Ernest-Ansermet 24, 1205 Geneva, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=93
4:05pm - 4:25pm
Revisiting the crystal structure and magneto-elastic coupling in MnZnSb 1Department of Physics, University of Liverpool, United Kingdom; 2Department of Chemistry, University of Liverpool, United Kingdom; 3Institut Laue-Lengevin, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=94
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=95
4:45pm - 5:05pm
Polytypism in layered AB2 solids 1Department of Chemistry, Imperial College London, London, United Kingdom; 2Inorganic Chemistry, University if Oxford, Oxford, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=96
|
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 2:50pm - 3:20pm
Evolution of Structural, Magnetic and Electronic Properties with Pressure in TMPX3 van-der-Waals Compounds University of Cambridge, United Kingdom (Gb), United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=97
3:20pm - 3:50pm
Materials synthesis and crystallography at extreme pressure-temperature conditions 1Laboratory of Crystallography, Universität Bayreuth, Bayreuth, Germany; 2Bayerisches Geoinstitut, Universität Bayreuth, Bayreuth, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=98
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=99
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=100
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=101
|
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 2:50pm - 3:20pm
Immobilization and removal of hazardous elements by geomaterials: the harder and the softer solutions University of Ferrara, Ferrara, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=103
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=104
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. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=105
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=106
4:30pm - 4:50pm
Mechanisms of structural reordering during thermal transformation of aluminogermanate imogolite nanotubes 1Laboratoire de Physique des Solides, CNRS, université Paris-Saclay, Orsay, France; 2Synchrotron SOLEIL, Saint-Aubin, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=107
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=108
|
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 2:50pm - 3:20pm
Macroscopic X-ray powder diffraction imaging for the study of oil paintings 1AXES Research Group, NANOLab Centre of Excellence, University of Antwerp, Antwerp, Belgium; 2Laboratory Department, Royal Institute for Cultural Heritage, Brussels, Belgium External Resource: https://www.xray.cz/iucrv/vidp.asp?id=109
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=110
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=111
4:10pm - 4:30pm
New advanced tools for processing and analysis of 2D X-ray diffraction data: XRD2DScan software 7.0 1Universidad de Granada, 18002 Granada, Spain; 2Malvern Panalytical B.V., 7602 EA Almelo, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=112
4:30pm - 4:50pm
Visualizing the Dynamics of Subsurface Defects with Time-Resolved Dark-Field X-ray Microscopy Lawrence Livermore National Lab, Livermore, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=113
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=114
|
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 2:50pm - 3:20pm
"Enhanced peer review" - rebuilding early SARS-CoV-2 structures in ISOLDE University of Cambridge, Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=651
3:20pm - 3:50pm
Improving the quality of 3D structure data in the Protein Data Bank with coordinate versioning supported by OneDep RCSB Protein Data Bank, Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey,Piscataway, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=652
3:50pm - 4:15pm
Neutron crystallography for drug design targeting SARS-CoV-2 viral proteins Oak Ridge National Lab, Oak Ridge, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=653
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=654
4:40pm - 5:05pm
Validation of cryo-EM structures of SARS-CoV-2 and mapping genomic mutations STFC, Scientific Computing Department, Harwell, Didcot, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=655
|
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 2:50pm - 3:20pm
1D Nanowires of 2D Layered Materials: A New Frontier in Nanomaterials University of Nebraska-Lincoln, Lincoln, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=656
3:20pm - 3:50pm
Advances in organic 2D crystals Technische Universitaet Dresden, Dresden, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=657
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=658
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=659
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=660
|
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 2:50pm - 3:20pm
Seleninic acids as chalcogen bond donors: a molecular insight of GPx activity 1Politecnico di Milano, Milano, Italy; 2Indian Institute of Technology; 3Monash University; 4IITB-Monash Research Academy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=661
3:20pm - 3:50pm
Deciphering the driving forces in crystal packings by analysis of hydrogen bonds, electrostatic energies and contact enrichment ratios. 1CRM2 CNRS Université de Lorraine, Vandoeuvre les Nancy, France; 2University Felix Houphouet-Boigny, Abidjan, Côte d'Ivoire External Resource: https://www.xray.cz/iucrv/vidp.asp?id=662
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=663
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 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=664
4:30pm - 4:50pm
Tuning mechanical responses of crystalline cadmium(II) coordination polymers through cyano functionality and halide anions Faculty of Science, University of Zagreb, Zagreb, Croatia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=665
4:50pm - 5:10pm
Halogen Bonding for Aromatic Hydrocarbon Assembly in the Solid State McGill University, Montreal, Canada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=666
|
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 External Resource: https://www.xray.cz/iucrp/P_623
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 External Resource: https://www.xray.cz/iucrp/P_625
Updates from FragMAX, a crystallographic fragment screening platform at MAX IV Laboratory MAX IV Laboratory, Lund University, PO Box 118, S-221 00 Lund, Sweden External Resource: https://www.xray.cz/iucrp/P_624
|
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 How guest molecules affect on the self-assembly of carboxylated pillar[5]arene in its complexes Insitute of Physical Chemistry Polish Academy of Sciences, Warsaw, Poland External Resource: https://www.xray.cz/iucrp/P_633
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 External Resource: https://www.xray.cz/iucrp/P_635
Polymorphism and structural characterization of a Silver(I) coordination polymer: an inorganic-polymer co-former in the preparation of curcumin containing co-crystals 1Università della Calabria, Arcavacata di Rende , Italy; 2Università della Basilicata, Potenza, Italy External Resource: https://www.xray.cz/iucrp/P_630
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 External Resource: https://www.xray.cz/iucrp/P_629
Structural study of Clopamide drug and copper (II) complexes under different crystallization conditions Centre for Structural Science, Research Centre for Natural Sciences, Budapest, Hungary External Resource: https://www.xray.cz/iucrp/P_638
Interaction between metallocene units Vinca Institute of Nuclear Sciences, University of Belgrade, Belgrade, Serbia Two sides of a molecular surface for analysis of non-covalent interactions A.N. Nesmeyanov Institute of Organoelement Compounds, RAS, Moscow, Russian Federation External Resource: https://www.xray.cz/iucrp/P_641
Synthesis and supramolecular analysis of novel purine alkaloid cocrystals with trimesic and hemimellitic acids Department of Chemistry, Adam Mickiewicz University, 61-614 Poznań, Poland External Resource: https://www.xray.cz/iucrp/P_637
Tailoring Crystal Structures and Polymorphs of Halogen-Bonded Supramolecular Assemblies: Co-Crystals of Hexahalogenated Benzenes and 2,3,5,6-Tetramethylpyrazine Department of Chemistry & Biomolecular Sciences, University of Ottawa, Ottawa, Canada External Resource: https://www.xray.cz/iucrp/P_640
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 External Resource: https://www.xray.cz/iucrp/P_627
Influence of steric hindrance on the hydrates formation. The case of 2,2,6,6-tetramethylpiperidine and 3,3,5,5-tetramethylmorpholine University of Warsaw, Warsaw, Poland External Resource: https://www.xray.cz/iucrp/P_639
σ-hole interaction properties of divalent sulfur University of Kinshasa, Kinshasa, Congo, Democratic Republic of the Architecture of hydrogen-bonded anionic substructure vs cation type in thiazolium hypodiphosphates University of Wrocław, Wrocław, Poland External Resource: https://www.xray.cz/iucrp/P_628
The crystal structure of four solvates of a bisphenol derivative. 1Yokohama National Univerity, Yokohama, Japan; 2Mitsubishi Chemical Corporation Osaka R&D Center, Osaka, Japan External Resource: https://www.xray.cz/iucrp/P_631
Controlling π-Stacking Interactions in a Series of Novel Heteroacene Derivatives Wilfrid Laurier University, Waterloo, Canada External Resource: https://www.xray.cz/iucrp/P_634
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 EIGER2 CdTe detectors for hard X-ray research under extreme conditions DECTRIS Ltd., 5405 Baden-Daettwil, Switzerland External Resource: https://www.xray.cz/iucrp/P_649
Completeness of data in XRD experiments using Diamond Anvil Cell Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland External Resource: https://www.xray.cz/iucrp/P_642
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 External Resource: https://www.xray.cz/iucrp/P_646
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 External Resource: https://www.xray.cz/iucrp/P_644
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 External Resource: https://www.xray.cz/iucrp/P_650
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 External Resource: https://www.xray.cz/iucrp/P_647
Polyamorphizationinduced superconductivity in Sb2Se3 Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai, China, People's Republic of External Resource: https://www.xray.cz/iucrp/P_651
New materials development utilizing mechanochemical synthesis 1Hawaii Institute of Geophysics and Planetology, University of Hawaii at Manoa, Honolulu, Hawaii 96822, USA; 2GeoSoiEnviro CARS, Argonne National Laboratory, University of Chicago, Argonne, Illinois 60439, USA External Resource: https://www.xray.cz/iucrp/P_645
Exploring the high pressure bcc alloy phase of topological Insulator PbBi4Te7: synchrotron x-ray diffraction measurement and DFT simulations 1Bhabha Atomic Research Centre India, Mumbai, India; 2Homi Bhabha national institute Mumbai India External Resource: https://www.xray.cz/iucrp/P_648
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 Polymorphic tuning of a flexible organic crystal optical waveguide 1Federal Institute for Materials Research and Testing (BAM); 2Humboldt-Universität zu Berlin; 3Helmholtz-Zentrum Berlin für Materialien und Energie External Resource: https://www.xray.cz/iucrp/P_655
Mechanical Flexibility in 1D Coordination Polymer Crystals Bundesanstalt für Materialforschung und -prüfung (BAM), Berlin, Germany External Resource: https://www.xray.cz/iucrp/P_653
Mechanical-Bending-Induced Fluorescence Enhancement in Plastically Flexible Crystals of a GFP Chromophore Analogue IISER Kolkata, Mohanpur, India External Resource: https://www.xray.cz/iucrp/P_654
Metal-like Ductility and Malleability in Organic Plastic Crystals IISER Kolkata, Mohanpur, India External Resource: https://www.xray.cz/iucrp/P_575
|
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” External Resource: https://www.xray.cz/iucrp/P_658
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 External Resource: https://www.xray.cz/iucrp/P_660
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 External Resource: https://www.xray.cz/iucrp/P_656
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 External Resource: https://www.xray.cz/iucrp/P_659
|
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 External Resource: https://www.xray.cz/iucrp/P_681
Tuning Expansion and Phase Transition Behavior in the Scandium Tungstate Family The University of Toledo, Toledo, United States of America External Resource: https://www.xray.cz/iucrp/P_662
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 External Resource: https://www.xray.cz/iucrp/P_676
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. External Resource: https://www.xray.cz/iucrp/P_664
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 External Resource: https://www.xray.cz/iucrp/P_667
Structural peculiarities of bismuth-containing RFe3(BO3)4 (R = Ho, Y, Sm, Nd) 1FSRC «Crystallography and Photonics» RAS, Leninskiy Prospekt 59, Moscow, 119333 Russia; 2Kirensky Institute of Physics of the Siberian Branch of the RAS, Akademgorodok 50, Krasnoyarsk, 660036 Russia External Resource: https://www.xray.cz/iucrp/P_663
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 Crystallography of silicon element: stable and metastable crystalline forms IMPMC - Sorbonne University, Paris, France External Resource: https://www.xray.cz/iucrp/P_661
Crystal Structure of Protic Ionic Liquids and their hydrates 1School of Science, RMIT University, Melbourne, Victoria 3000, Australia; 2Australian Nuclear Science and Technology Organisation, Australian Synchrotron, Victoria, 3168, Australia External Resource: https://www.xray.cz/iucrp/P_679
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 External Resource: https://www.xray.cz/iucrp/P_671
Two stages in one step spin crossover in [Fe(bbtr)3](CF3SO3)2 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 External Resource: https://www.xray.cz/iucrp/P_674
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 External Resource: https://www.xray.cz/iucrp/P_670
Operando PXRD and PDF Investigations of Disordering in NaCrO2-CrO2 University of Southern Denmark, Odense C, Denmark External Resource: https://www.xray.cz/iucrp/P_668
Electrochemically driven phase transitions in crystallographically challenged electrode materials for rechargeable batteries University of Southern Denmark, Campusvej 55, 5230 Odense M, Denmark External Resource: https://www.xray.cz/iucrp/P_673
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 External Resource: https://www.xray.cz/iucrp/P_678
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, External Resource: https://www.xray.cz/iucrp/P_675
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 External Resource: https://www.xray.cz/iucrp/P_672
Phase Transformations in Ti-Nb-Zr-Ta-O Beta Titanium Alloys with High Oxygen and Reduced Nb and Ta Content 1Charles University, Faculty of Matehematics and Physics, Prague 2, Czech Republic; 2Institute of Thermomechanics, Academy of Sciences, Prague 8, Czech Republic External Resource: https://www.xray.cz/iucrp/P_669
Crystallization and nucleation study of transition metal struvite and related compounds BAM Berlin (Bundesanstalt für Materialforschung und -prüfung), Berlin, Germany External Resource: https://www.xray.cz/iucrp/P_682
α phase lamellae orientation relationship in metastable β titanium alloys 1Department of Physics of Materials, Charles University, Praha 2, Czech Republic; 2Department of Condensed Matter Physics, Charles University, Praha 2, Czech Republic External Resource: https://www.xray.cz/iucrp/P_666
|
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 External Resource: https://www.xray.cz/iucrp/P_688
High-pressure CO2 for lipid-mediated cocrystallization of theophylline and nicotinamide Tokyo Institute of Technology, Tokyo, Japan External Resource: https://www.xray.cz/iucrp/P_694
GIDInd: an automated indexing software for grazing-incidence X-ray diffraction data 1Graz Medical University, Graz, Austria; 2Graz Technical University, Graz, Austria External Resource: https://www.xray.cz/iucrp/P_685
Towards real-time analysis of liquid jet alignment in SFX 1La Trobe University; 2European XFEL; 3Australian Synchrotron (ANSTO) External Resource: https://www.xray.cz/iucrp/P_684
An efficient method for indexing grazing-incidence X-ray diffraction data of epitaxially grown thin films 1Graz Medical University, Graz, Austria; 2Graz Technical University, Graz, Austria; 3Friedrich Schiller University Jena, Jena, Germany External Resource: https://www.xray.cz/iucrp/P_686
Development of microspectrophotometer for the macromolecular crystallography beamline at the Photon Factory, Japan 1Structural Biology Research Center, High Energy Accelerator Research Organization; 2Mechanical Engineering Center, High Energy Accelerator Research Organization External Resource: https://www.xray.cz/iucrp/P_687
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 External Resource: https://www.xray.cz/iucrp/P_692
Development of Reciprocal Space Mapping Software for Single Crystal Diffraction 1Comprehensive Research Organization for Science and Society, Tokai, Ibaraki, Japan; 2J-PARC center, Japan Atomic Energy Agency, Ibaraki, Japan; 3IMRAM Tohoku University, Sendai, Miyagi, Japan. External Resource: https://www.xray.cz/iucrp/P_693
Identifying problems in your single crystal diffraction data University of Oxford, Oxford, United Kingdom External Resource: https://www.xray.cz/iucrp/P_691
Application of result of atoms and centrosymmetric cubic space groups for sharpening of Patterson function Nil, HONG KONG, Hong Kong S.A.R. (China) External Resource: https://www.xray.cz/iucrp/P_689
An attempt to find the use of atomic scattering factors and centrosymmetric cubic space groups; two choices of random phases in direct methods Nil, HONG KONG, Hong Kong S.A.R. (China) External Resource: https://www.xray.cz/iucrp/P_690
|
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 External Resource: https://www.xray.cz/iucrp/P_695
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 External Resource: https://www.xray.cz/iucrp/P_701
Solving Self-Absorption in Fluorescence University of Melbourne, Parkville, Australia External Resource: https://www.xray.cz/iucrp/P_702
X-ray absorption spectroscopy study of metal-organic frameworks functionalized by Pd: Formation and growth of Pd nanoparticles Southern Federal University, Rostov-on-Don, Russian Federation External Resource: https://www.xray.cz/iucrp/P_699
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 External Resource: https://www.xray.cz/iucrp/P_697
Facile synthesis of nano-structure LiCoPO4@UiO-66 particles and its in-situ XAS, structural properties and electrochemical characterization for lithium batteries Southern federal university, Rostov on-Don, Russian Federation External Resource: https://www.xray.cz/iucrp/P_695
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 External Resource: https://www.xray.cz/iucrp/P_700
|
6:10pm - 7:00pm | PL-3: The structural biology of pathogenic amyloid fibrils Location: Panorama David Eisenberg |
|
The Expanding Amyloid Family: Structure, Stability, Function, and Pathogenesis UCLA, Los Angeles, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=879
|
7:00pm - 7:45pm | Closing ceremony: Poster prizes, closing Location: Panorama |