Session Overview |
| |
9:00am - 9:50am | KN-22: Record High superconductivity in sodalite-like rare-earth hydrides stabilized at high pressures Location: Terrace 2A Session Chair: Arthur Haozhe Liu Yanming Ma |
|
Clathrate Superhydrides Under High Pressure Conditions: A Class of Extraordinarily Hot Conventional Superconductors College of Physics, Jilin Univ., Changchun 130012, China External Resource: https://www.xray.cz/iucrv/vidp.asp?id=45
|
9:00am - 9:50am | KN-23: Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging Location: Terrace 2B Session Chair: Juan Manuel Garcia-Ruiz Virginie Chamard |
|
Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging approaches Aix-Marseille Univ, CNRS, Centrale Marseille, Institut Fresnel, Marseille, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=46
|
9:00am - 9:50am | KN-24: Regulation of gene expression by transcription factors and RNA-binding proteins Location: Club A Session Chair: Pavlína Řezáčová Udo Heinemann |
|
Regulation of gene expression by transcription factors and RNA-binding proteins Max Delbrück Center for Molecular Medicine, Berlin, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=47
|
9:50am - 10:20am | Morning break 5: Posters, coffee/tea Location: Exhibition and poster area |
10:20am - 12:45pm | MS-57: Neutron scattering - sources, applications Location: Terrace 2B Session Chair: Matthew Paul Blakeley Session Chair: Flora Meilleur Session Chair: Esko Oksanen Invited: Gloria Borgstahl (USA), Svetlana Antonyuk (UK) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Direct detection of concerted proton and electron transfer in human manganese superoxide dismutase 1University of Nebraska Medical Center, Omaha, Nebraska, United States of America; 2Oak Ridge National Laboratory, Tennessee, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=396
10:55am - 11:25am
Damage-free structures of green copper nitrite reductase obtained by neutron crystallography and XFEL Molecular Biophysics Group, ISMIB, Faculty of Health and Life Sciences; University of Liverpool, UK External Resource: https://www.xray.cz/iucrv/vidp.asp?id=397
11:25am - 11:45am
Modelling and refinement of hydrogens: new developments in CCP4 1King's College London, London, United Kingdom; 2MRC Laboratory of Molecular Biology, Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=398
11:45am - 12:05pm
Finding the Goldilocks zone for chemical crystallography via Laue single-crystal neutron diffraction – what have we learned from KOALA to improve KOALA 2.0? ANSTO, Lucas Heights, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=399
12:05pm - 12:25pm
An automatised hydrogen orientation procedure for neutron protein crystallography 1Division of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden; 2European Spallation Source ESS ERIC, Lund, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=400
12:25pm - 12:50pm
Amplifying hydrogen: neutron diffraction using Dynamic Nuclear Polarization 1Oak Ridge National Laboratory, Oak Ridge, United States of America; 2St. Jude Children’s Research Hospital, Memphis, United States of America; 3North Carolina State University, Raleigh, United States of America; 4Institute of Physics, Chinese Academy of Sciences, Beijing, China |
10:20am - 12:45pm | MS-58: Ultra-high resolution macromolecular crystallography and quantum biocrystallography Location: Club A Session Chair: Christian Jelsch Session Chair: Alexander Wlodawer Invited: Paulina Dominiak (Poland), Maciej Kubicki (Poland) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Experimental studies of the details of electron density distribution in a Z-DNA hexamer: new insights, new problems 1Faculty of Chemistry, Adam Mickiewicz University in Pozna, Poznan, Poland; 2Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; 3Laboratoire de Cristallographie, Institut Jean Barriol, Université de Lorraine, Nancy, Franc; 4Macromolecular Crystallography Laboratory, National Cancer Institute, Argonne National Laboratory, Argonne, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=402
10:55am - 11:25am
Moving quantum crystallography from sub-atomic XRD to near-atomic 3D ED Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warszawa, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=403
11:25am - 11:50am
Principles of the mechanism of interfacial activation of a lipase: open and closed states and lipid – enzyme interactions in the limbus region of Candida antarctica Lipase B Università Politecnica Delle Marche, Ancona, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=404
11:50am - 12:15pm
Investigating the redox cycle of tryparedoxin at ultra-high resolution University of Wuerzburg, Wuerzburg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=405
12:15pm - 12:40pm
Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warsaw, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=406
|
10:20am - 12:45pm | MS-59: Crystal chemistry with emerging technology I Location: Terrace 2A Session Chair: Consiglia Tedesco Session Chair: Toru Asahi Invited: Sota Sato (Japan), Marijana Dakovic (Croatia) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Functional crystalline materials based on macrocyclic nanochannels Department of Applied Chemistry, The University of Tokyo, Tokyo, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=407
10:55am - 11:25am
Variable adaptability of coordination polymers of cadmuim(II) to external mechanical stimuli University of Zagreb, Zagreb, Croatia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=408
11:25am - 11:45am
In situ photoswitching of spirorhodamines isomers in solid-state 1Buenos Aires University, CABA, Argentina.; 2IIB, UNSAM, 25 de mayo y Francia, San Martín Buenos Aires, Argentina.; 3ECyT, UNSAM, 25 de mayo 1169, San Martín, Buenos Aires, Argentina. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=409
11:45am - 12:05pm
The pancake-bonding of semiquinone radicals under variable pressure and temperature conditions. 1Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia; 2Novosibirsk State University, Novosibirsk, Russia; 3Ruđer Bošković Institute, Zagreb, Croatia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=410
12:05pm - 12:25pm
Structural chemistry of azulenes 1Missouri State University, Springfield, Missouri, United States of America; 2University of Kansas, Lawrence, Kansas, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=411
12:25pm - 12:45pm
Understanding the role of non-covalent interactions in the acridine with different acids of salt molecules 1Laboratory of Biocrystallography and Computational Molecular Biology Department of Physics, Periyar University, Salem-636 011, India; 2Faculty of Chemistry, University of Warsaw, Warsaw-02093, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=412
|
10:20am - 12:45pm | MS-60: Composite and incommensurate modulated crystals: structural and physical properties Location: Club B Session Chair: Sylvain Ravy Session Chair: Sander van Smaalen Invited: Stephan J. Skinner (UK), Vincent Jacques (France) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Investigating the modulated structures in the La(Nb,W)O4+d family of oxide ion conductors 1Imperial College London, London, United Kingdom; 2Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA; 3School of Engineering, Newcastle University, UK External Resource: https://www.xray.cz/iucrv/vidp.asp?id=427
10:55am - 11:25am
Revealing pinning and solitonic transport of sliding charge-density-waves by coherent and nano-XRD CNRS / Laboratoire de Physique des Solides, Orsay, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=428
11:25am - 11:45am
Polytelluride Anions in Deficient RETe2–δ Structures – Superstructures and Bonding Analysis Technische Universität Dresden, Dresden, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=429
11:45am - 12:05pm
Hysteretic structural changes within five-layered modulated 10M martensites of Ni-Mn-Ga(-Fe) 1Institute of Physics of the Czech Academy of Sciences, Na Slovance 1999/2, 18221 Prague 8, Czech Republic; 2Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Trojanova 13, 12000 Prague 2, Czech Republic; 3Institute of Thermomechanics of the Czech Academy of Sciences, Dolejškova 1402/8, 18200 Prague 8, Czech Republic; 4Material Physics Laboratory, LUT University, Yliopistonkatu 34, 53850 Lappeenranta, Finland; 5Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 12116 Prague 2, Czech Republic; 6Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156, 38042 Grenoble cedex 9, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=430
12:05pm - 12:25pm
The interplay of framework instability and electron-phonon coupling in a CDW system, the monophosphate tungsten bronze family. 1University of Oxford, Oxford, United Kingdom; 2ICMCB, CNRS, Université de Bordeaux, UMR 5026, F-33600 Pessac, France; 3Laboratory CRISMAT, UMR 6508 CNRS, ENSICAEN 6 Boulevard du Marechal Juin, F-14050 Caen Cedex 4, France; 44Institute of Physics, Slovak Academy of Sciences, Dúbravskà cesta 9, Bratislava 84511, Slovak Republic; 5Université Grenoble Alpes, SIMaP, F-38000 Grenoble, France; 6CNRS, SIMaP, F-38000 Grenoble, France; 7European Synchrotron Radiation Facility, 6 rue Jules Horowitx, F-38000 Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=431
12:25pm - 12:45pm
Ba10Y6Ti4O27 an aperiodic oxide with an unusually low thermal conductivity. University of Liverpool, Liverpool, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=432
|
10:20am - 12:45pm | MS-61: Magnetic structures at extreme conditions and in extreme samples Location: Club D Session Chair: Angel M. Arevalo-Lopez Session Chair: Andrzej Katrusiak Invited: Elena Solana-Madruga (UK), Dawid Pinkowicz (Poland) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Complex magnetic structures in frustrated A-site manganites 1CNRS, Université de Lille, Unité de Catalyse et chimie du Solid, 59652 Villeneuve d'Ascq Cedex, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=433
10:55am - 11:25am
High pressure effects in molecular magnetic materials with cyanide bridges Jagiellonian University, Faculty of Chemistry, Krakow, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=434
11:25am - 11:45am
Crystal and magnetic structures of the high pressure RMnMnTaO6 (R = Rare earth) double (double) perovskites CSEC and School of Chemistry, University of Edinburgh External Resource: https://www.xray.cz/iucrv/vidp.asp?id=435
11:45am - 12:05pm
Pb2NiOsO6: antiferromagnetic order breaks inversion symmetry in high pressure perovskite 1Durham University, Durham, United Kingdom; 2Department of Chemistry and Chemical Biology, Rutgers, the State University of New Jersey, Piscataway, New Jersey 08854, United States; 3Department of Physics and Astronomy, Rutgers, the State University of New Jersey, Piscataway, New Jersey 08854, United States; 4ISIS Facility, STFC, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX, U.K.; 5International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba, Ibaraki 305-0044, Japan;; 6EMAT, University of Antwerp, 2020 Antwerp, Belgium External Resource: https://www.xray.cz/iucrv/vidp.asp?id=436
12:05pm - 12:25pm
High Pressure Diffraction on Single Crystals with Hot Neutrons at MLZ 1Institute of Crystallography, RWTH Aachen University, 52056 Aachen, Germany; 2Jülich Centre for Neutron Science at Heinz Maier-Leibnitz Zentrum, Forschungszentrum Jülich GmbH, 85747 Garching, Germany; 3Jülich Centre for Neutron Science–2/Peter Grünberg-Institute–4, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=437
12:25pm - 12:45pm
Magnetic phase diagram of the high-temperature spiral magnet YBaCuFeO5 1Paul Scherrer Institut, Villigen, Switzerland; 2Laboratory for Multiscale Materials Experiments, Paul Scherrer Institut, 5232 Villigen PSI, Switzerland; 3Excelsus Structural Solutions (Swiss) AG, PARK innovAARE, 5234 Villigen, Switzerland; 4Institut Laue Langevin, 71 avenue des Martyrs, CS 20156, 38042 Grenoble CEDEX 9, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=438
|
10:20am - 12:45pm | MS-62: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Location: Club C Session Chair: Juan Manuel Garcia-Ruiz Session Chair: Giuseppe Falini Invited: Boaz Pokroy (Israel), Abel Moreno (Mexiko) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Incoporation of amino acids into inorganic crystalline hosts: from biomineralization to bio-Inspired band gap engineering Technion Israel Institute of Technology, Haifa, Israel External Resource: https://www.xray.cz/iucrv/vidp.asp?id=439
10:55am - 11:25am
The role of intramineral proteins involved into the biomineralization of calcium carbonate in eggshells formation. Implications to the dinosaurs´ extinction Instituto de Química. Universidad Nacional Autónoma de México, Mexico City, Mexico External Resource: https://www.xray.cz/iucrv/vidp.asp?id=440
11:25am - 11:45am
Crystal texture of mineral self-organized structures from soda lake water and their implication to early Earth and prebiotic chemistry Laboratorio de Estudios Cristalográficos, Instituto Andaluz de Ciencias de la Tierra, Consejo Superior de Investigaciones Científicas–Universidad de Granada, Granada, Spain External Resource: https://www.xray.cz/iucrv/vidp.asp?id=441
11:45am - 12:05pm
Structure and properties of coralline red alga: from helical configuration to alternating layers Technion, Haifa, Israel External Resource: https://www.xray.cz/iucrv/vidp.asp?id=442
12:05pm - 12:25pm
Non-destructive 3D orientational mapping of bone using diffractive X-ray tomography 1PoreLab, Department of Physics, Norwegian University of Science and Technology (NTNU), Høgskoleringen 5, 7491 Trondheim, Norway; 2Uppsala University, Department of Organismal Biology, Evolutionary Biology Centre, Norbyvägen 18 A, 75236, Uppsala, Sweden.; 3Faculty of Veterinary Medicine, Department of Companion Animal Clinical Sciences, Norwegian University of Life Sciences, Oslo, Norway.; 4ESRF-The European Synchrotron, 71 Avenue des Martyrs, 38000 Grenoble, France.; 5Department of Microsystems, University of South-Eastern Norway (USN), Campus Vestfold, 3184 Borre, Norway. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=443
|
10:20am - 12:45pm | MS-63: Catalysis: functionalized materials studied by XRD and XAFS Location: 223-4 Session Chair: Valérie Briois Session Chair: Andreas Roodt Invited: Elisa Borfecchia (Italy), Ola F Wendt (Sweden) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Heterogenization of molecular catalysts: C–H activation and dehydrogenation Lund University, LUND, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=444
10:55am - 11:25am
Understanding local structure and redox chemistry of metal ions in nanoporous catalysts by X-ray absorption spectroscopy University of Turin, Turin, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=445
11:25am - 11:45am
XAS and XRD analysis of active Pt and Pd sites in metal-organic framework UiO-67 1Southern Federal University, Rostov-on-Don, Russian Federation; 2ESRF, Grenoble, France; 3University of Oslo, Oslo, Norway External Resource: https://www.xray.cz/iucrv/vidp.asp?id=446
11:45am - 12:05pm
Structural dynamics of nanoalloy catalysts for Fuel Cells by in situ total x-ray scattering Central Michigan University, Mount Pleasant, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=447
12:05pm - 12:25pm
The Hopeful Journey Towards Successful Tailoring Of Water (In)Soluble Cobalt Analogues As Potential Water Splitting Catalysts. 1Dept. of Chemistry, University of the Free State, Bloemfontein, 9300, South Africa; 2Dept. of Chemistry, University of Zürich, Winterthurerstrasse 190, Zürich, Switzerland. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=448
12:25pm - 12:45pm
Structural and bandgap modification of KLaTiO4 hydrogen evolution catalyst The University of Sydney, Sydney, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=449
|
10:20am - 12:45pm | MS-64: In-situ and time resolved electron crystallography Location: Club H Session Chair: Andrew Alexander Stewart Session Chair: Eva Olsson Invited: David Flannigan (USA), Maria Batuk (Belgium) |
|
10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Following structure evolution of SrFeOx in redox reactions using in situ 3D electron diffraction EMAT, University of Antwerp, Antwerp, Belgium External Resource: https://www.xray.cz/iucrv/vidp.asp?id=450
10:55am - 11:25am
Time-resolved TEM beyond fast detectors Department of Chemical Engineering and Materials Science, University of Minnesota, 421 Washington Avenue SE, Minneapolis, Minnesota 55455, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=451
11:25am - 11:50am
Time resolved x-ray diffraction studies of prospective crystalline materials under dynamic ultrasonic loads 1FSRC “Crystallography and photonics” RAS, Moscow, Russian Federation; 2NRC "Kurchatov Institute", Moscow, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=452
11:50am - 12:15pm
Discovering and transforming precipitate phases in aluminium alloys using in situ transmission electron microscopy 1Monash Centre for Electron Microscopy, Monash University, Australia; 2Department of Materials Science and Engineering, Monash University, Australia; 3Electron Microscopy for Materials Research, University of Antwerp, Belgium; 4Department of Materials, University of Oxford, UK; 5Thermofisher Scientific, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=453
12:15pm - 12:40pm
Elucidation of Linker Motion in Metal-Organic Frameworks by Three-Dimensional Electron Diffraction 1stockholm university, stockholm, Sweden; 2University of Oslo, Oslo, Norway External Resource: https://www.xray.cz/iucrv/vidp.asp?id=454
|
12:45pm - 2:45pm | Lunch 5: Posters, lunches Location: Exhibition and poster area |
1:00pm - 2:30pm | ECA - GIG-1: ECA - GIG-1 Young Crystallographers Location: Club A |
1:00pm - 2:30pm | ECA - SIG-12: ECA - SIG-12 Crystallography of Functional Materials Location: 223-4 |
1:00pm - 2:30pm | ECA - SIG-1: ECA - SIG-1 Macromolecular Crystallography Location: Club D |
1:00pm - 2:30pm | ECA - SIG-3: ECA - SIG-3 Aperiodic Crystals Location: virtual |
1:00pm - 2:30pm | ECA - SIG-5: ECA - SIG-5 Mineral and Inorganic Crystallography Location: Club B SIG - 5 |
1:00pm - 2:30pm | ECA - SIG-6: ECA - SIG-6 Instrumentation and Experiment Location: Club C |
1:00pm - 2:30pm | Meeting - Quantum: Commission on Quantum Crystallography Open Meeting Location: Club H Session Chair: Paulina Maria Dominiak |
1:45pm - 2:45pm | ECA - SIG-4: ECA - SIG-4 Electron Crystallography Location: 221-2 |
2:00pm - 2:45pm | ECA - GIG-3: ECA - GIG-3 Education in Crystallography Location: virtual |
2:45pm - 5:10pm | MS-65: Graphs, tilings and crystal structures Location: Club D Session Chair: Mark Loyola Session Chair: Bernd Souvignier Invited: Vladislav A. Blatov (Russia), Jean-Guillaume Eon (Brazil) |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Perceiving zeolite self-assembly within the natural tiling model 1Samara Center for Theoretical Materials Science (SCTMS), Samara National Research University, Samara, Russian Federation; 2Samara Center for Theoretical Materials Science (SCTMS), Samara State Technical University, Samara, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=455
3:20pm - 3:50pm
Combinatorial aspects of Löwenstein’s rule 1Federal University of Rio de Janeiro, Rio de Janeiro, Brazil; 2Rural Federal University of Rio de Janeiro External Resource: https://www.xray.cz/iucrv/vidp.asp?id=456
3:50pm - 4:15pm
Layer Groups associated with 3-way 3-fold isonemal fabrics Ateneo De Manila University, Quezon City, Philippines External Resource: https://www.xray.cz/iucrv/vidp.asp?id=457
4:15pm - 4:40pm
A unique and continuous code of all periodic crystals University of Liverpool, Liverpool, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=458
4:40pm - 5:05pm
Synthesis of magnetically frustrated oxides with double perovskite structure 1Institute for Solid-State and Materials Research, Dresden, Germany; 2Institute for Scintillation Materials NAS of Ukraine, Kharkiv, Ukraine External Resource: https://www.xray.cz/iucrv/vidp.asp?id=459
|
2:45pm - 5:10pm | MS-66: Integrative structural biology: The next 50 years of the Protein Data Bank Location: Club H Session Chair: Stephen K. Burley Session Chair: Dina Schneidman Invited: Andrej Sali (USA), Fei Xu (China) |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Crystal structure of the first orphan GPCR ShanghaiTech University, Shanghai, China, People's Republic of 3:20pm - 3:50pm
From integrative structural biology to cell biology University of California, San Francisco, San Francisco, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=461
3:50pm - 4:10pm
Crystal and Cryo-EM structures provide insight into how pro-neurodegenerative SARM1 is activated and cleave NAD+. 1Griffith University, Southport, Australia; 2University of Queensland, Brisbane, Australia; 3Evotec Ltd, Abingdon, Oxfordshire, UK; 4Disarm Therapeutics, a wholly-owned subsidiary of Eli Lilly & Co., Cambridge, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=462
4:10pm - 4:30pm
Structural studies of Cysteine Synthase Complex obtained from Klebsiella pneumoniae. 1Unité de Glycobiologie Structurale et Fonctionnelle, UMR 8576, CNRS, 50 Avenue Halley, 59650 Villeneuve d'Ascq, France; 2Biotechnology Department, Jaypee Institute of Information Technology (JIIT), A-10, sector-62 NOIDA, 201309, India External Resource: https://www.xray.cz/iucrv/vidp.asp?id=463
4:30pm - 4:50pm
Crystal structure of a complex between the electron-transfer partners arsenite oxidase and cytochrome c552, from the arsenite respiring bacterium Rhizobium sp. NT-26. 1School of Chemistry and The Bio21 Instittute Molecular Sciences and Biotechnology Institute, The University of Melbourne, Parkville, 3052, Australia; 2Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London WC1E 6BT, United Kingdom; 3Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=464
4:50pm - 5:10pm
Structural evidence for active site complementation and diverse oligomerization in two bacterial α-L-Fucosidases from the same organism 1Institute of Biotechnology of the Czech Academy of Sciences, 25250 Vestec, Czech Republic; 2University of Chemistry and Technology, 166 28 Prague, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=465
|
2:45pm - 5:10pm | MS-67: Crystallization mechanisms of small molecule systems Location: Terrace 2B Session Chair: Duane Choquesillo-Lazarte Invited: Ian Rosbottom (UK), Aurora Cruz-Cabeza (UK) |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
CAN MOLECULAR FLEXIBILITY CONTROL CRYSTALLISATION? University of Manchester, Manchester, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=466
3:20pm - 3:50pm
Molecular, Solid-State and Surface Structures of the Conformational Polymorphic Forms of Ritonavir in Relation to their Physicochemical Properties School of Chemical and Process Engineering, University of Leeds, LS2 9JT External Resource: https://www.xray.cz/iucrv/vidp.asp?id=467
3:50pm - 4:10pm
Bridging the nucleation step – the link of molecular interactions in dilute solutions and the crystal structure University of Manchester, Manchester, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=468
4:10pm - 4:30pm
Controlling polymorphism of pharmaceutical cocrystals via polymer assisted cocrystallization in continuous processes Department of Drug Forms Technology, Wroclaw Medical University, Wroclaw, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=469
4:30pm - 4:50pm
Crystallization of anionic small molecules with the help of a cation screen University of Zurich, Zurich, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=470
4:50pm - 5:10pm
The Future of Co-crystallisation: A New Workflow Based on AI Predictions, the Crystal16 Platform and Electron Diffraction 1Technobis Crystallization Systems B.V., Alkmaar, The Netherlands; 2ELDICO Scientific AG, 5234 Villigen, Switzerland; 3TeraCrystal, Cluj Napoca, Romania External Resource: https://www.xray.cz/iucrv/vidp.asp?id=471
|
2:45pm - 5:10pm | MS-68: Symmetry aspects of magnetic order and magnetic properties Location: Club B Session Chair: Mois Ilia Aroyo Session Chair: Margarida Henriques Invited: Laura Chaix (France), Fabio Orlandi (UK) |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Ba3NbFe3Si2O14:a model system to study magnetic chirality Univ. Grenoble Alpes, CNRS, Grenoble INP, Institut Néel, 38000 Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=472
3:20pm - 3:50pm
Peculiar commensurate spin density wave in CeAuSb2 under uniaxial stress 1ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, United Kingdom; 2H. H. Wills Physics Laboratory, University of Bristol, Bristol, BS8 1TL, United Kingdom; 3Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Straße 40, 01187 Dresden, Germany; 4Ames Laboratory, U.S. DOE, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, United States External Resource: https://www.xray.cz/iucrv/vidp.asp?id=473
3:50pm - 4:10pm
Absolute sign of the Dzyaloshinskii-Moriya interaction in weak ferromagnets disclosed by polarized neutron diffraction 1Jülich Centre for Neutron Science (JCNS) at Heinz Maier-Leibnitz Zentrum (MLZ), Forschungszentrum Jülich GmbH, 85748 Garching, Germany; 2Institute of Crystallography, RWTH Aachen University, 52056 Aachen, Germany; 3Jülich Centre for Neutron Science JCNS and Peter Grünberg Institut PGI, JARA-FIT, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=474
4:10pm - 4:30pm
Resonant x-ray scattering of magnetic anisotropy and orbital ordering in Ca2RuO4 Diamond Light Source Ltd, Didcot, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=475
4:30pm - 4:50pm
Low-temperature magnetic state of Ho7Rh3 studied by neutron diffraction and ac magnetic susceptibility 1M.N. Mikheev Institute of Metal Physics of the Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation; 2UrFU them. the first President of Russia B.N. Yeltsin, Yekaterinburg, Russian Federation; 3Graduate School of Education, Hiroshima University, Higashi-Hiroshima, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=476
|
2:45pm - 5:10pm | MS-69a: Complex crystal structures - chemical crystallography Location: Club A Session Chair: Marie Colmont Session Chair: Sergey V. Krivovichev |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:15pm
Tellurides with monovalent Ga and In – from chains to networks 1Leipzig University, Leipzig, Germany; 2University of Amsterdam, Amsterdam, Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=478
3:15pm - 3:40pm
Elucidation and quantification of the factors underlying bond-length variation in inorganic solids for the design of non-oxide materials with superior functional properties 1Geophysical Laboratory, Carnegie Institution for Science, 5251 Broad Branch Rd. NW, Washington D.C., 20015 USA; 2Department of Geological Sciences, University of Manitoba, 125 Dysart Rd, Winnipeg, MB, Canada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=479
3:40pm - 4:05pm
Synthesis and investigation of the 4H and newly discovered 6H perovskite polymorphs of BaRhO3 between 7 – 22 GPa. 1Institute for Chemical Research, Kyoto University, Kyoto, Japan; 2Key Laboratory of Applied Chemistry, School of Environmental and Chemical Engineering, Yanshan University, Qinhuangdao, P.R. China; 3Hakubi Center for Advanced Research, Kyoto University, Kyoto, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=481
4:05pm - 4:30pm
Enhancing the Chemical Flexibility of Hybrid Perovskites by Introducing Divalent Ligands 1School of Physical Sciences, University of Kent, Canterbury, Kent, United Kingdom; 2Department of Materials Engineering, Indian Institute of Science (IISc), Bangalore, Karnataka, India; 3Centre for X-ray Analytics, Empa – Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=482
4:30pm - 4:55pm
Temperature dependent structural studies of incommensurately modulated Rb2ZnCl4 1Laboratory of Crystallography, University of Bayreuth, 95447 Bayreuth, Germany; 2DESY, Notkestrasse 85, 22607 Hamburg, Germany; 3Univ. Grenoble Alpes, CNRS, Grenoble INP, BP 75, 38402 Saint Martin d'Hères Cedex, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=483
|
2:45pm - 5:10pm | MS-70: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Location: Club C Session Chair: Angelika Dorothea Rosa Session Chair: Ulf Zastrau Invited: Virginia Monteseguro (Spain, ESRF), Emma McBride (USA, SLAC) |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Unveiling the structural and electronic interplay in 3d and 4f/5d compounds at high-pressure 1DCITIMAC, Facultad de Ciencias, University of Cantabria, Spain; 2Universitat Politècnica de València, Spain; 3Centro Universitario de la Defensa de Zaragoza, Spain; 4ALBA-CELLS, Barcelona, Spain External Resource: https://www.xray.cz/iucrv/vidp.asp?id=495
3:20pm - 3:50pm
Phase Transition Lowering and Melting in Dynamically-Compressed Silicon and Germanium at the LCLS SLAC National Accelerator Laboratory, Menlo Park, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=491
3:50pm - 4:05pm
A new internally heated diamond anvil cell system for time resolved optical and x-ray measurements. 1Physics Division, School of Science and Technology, University of Camerino, Via Madonna delle Carceri 9, Camerino (MC), 62032, Italy.; 2Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192, Gif-sur-Yvettte Cedex, France; 3Geodynamic Research Center, Ehime University, Matsuyama 790-8577, Japan. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=492
4:05pm - 4:20pm
EMA beamline status and its XRD prospects Brazilian Synchrotron Light Laboratory (LNLS - CNPEM), Campinas, Brazil External Resource: https://www.xray.cz/iucrv/vidp.asp?id=493
4:20pm - 4:35pm
Fast EXAFS measurement in piezo-driven single-crystal monochromatization scheme 1FSRC “Crystallography & photonics” RAS; 2NRC "Kurchatov institute", Moscow, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=494
4:35pm - 4:50pm
Unveiling the Structural Behavior under Pressure of Filled M0.5Co4Sb12 (M = K, Sr, La, Ce, and Yb) Thermoelectric Skutterudites 1ESRF, Grenoble, France; 2ICMM-Madrid, Spain; 3UFPel, Brazil; 4ALBA, Spain External Resource: https://www.xray.cz/iucrv/vidp.asp?id=495
4:50pm - 5:05pm
Towards higher densities of matter: ultra-high pre-compression in shock dynamic experiments 1European X-ray Free Electron Laser facility GmbH; 2ETH-Zürich; 3Lawrence Livermore National Laboratory; 4Laboratoire pour l’Utilisation des Lasers Intenses, École Polytechnique; 5Deutsches Elektronen-Synchrotron DESY External Resource: https://www.xray.cz/iucrv/vidp.asp?id=496
|
2:45pm - 5:10pm | MS-71a: Disordered materials: spectroscopic and scattering techniques I Location: Terrace 2A Session Chair: Simon Billinge Session Chair: Angela Trapananti Invited: Takeshi Egami (USA), Shinya Hosokawa (Japan) |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
What does the structure of liquid mean? 1University of Tennessee, Knoxville, United States of America; 2Oak Ridge National Laboratory, Oak Ridge, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=497
3:20pm - 3:50pm
Hyper-ordered structures and glass-forming abilities of Pd-based metallic glasses Kumamoto University, Kumamoto, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=498
3:50pm - 4:10pm
Introducing the Pair-Angle Distribution Function: many-atom statistics of crystals and disordered materials 1RMIT University, Melbourne, Australia; 2ARC Centre of Excellence for Advanced Molecular Imaging, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=499
4:10pm - 4:30pm
Group 13 precursor structures and their effect on oxide nanocrystal formation Center for Materials Crystallography, Department of Chemistry and iNano, Aarhus University, Aarhus C, Denmark External Resource: https://www.xray.cz/iucrv/vidp.asp?id=500
4:30pm - 4:50pm
Extracting local symmetry of liquid metals from extended x-ray absorption fine structure using deep neural network 1Aichi Synchrotron Radiation Center (Seto, Aichi, Japan); 2Kyushu Synchrotron Light Research Center (Tosu, Saga, Japan) External Resource: https://www.xray.cz/iucrv/vidp.asp?id=501
4:50pm - 5:10pm
Disorder and dynamics of free and caged molecules in crystals 1Queen Mary University of London, London, United Kingdom; 2ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell Oxford OX11 0QX, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=502
|
2:45pm - 5:10pm | MS-72: New methods and strategies in NMR crystallography - in Honour of Francis Taulelle Location: 223-4 Session Chair: Martin Dracinsky Session Chair: David Bryce Invited: Sharon Ashbrook (UK), Lyndon Emsley (Switzerland) |
|
2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Investigating disorder in A2B2O7 ceramics for waste encapsulation using NMR crystallography University of St Andrews, St Andrews, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=503
3:20pm - 3:50pm
Structure determination of amorphous molecular solids by NMR crystallography EPFL, Lausanne, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=504
3:50pm - 4:05pm
Anionic (dis)order and fluoride dynamics in complex transition metal oxyfluorides from NMR crystallography Northwestern University, Evanston, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=505
4:05pm - 4:20pm
NMR crystallography with microED 1RIKEN-JEOL Collaboration Center; 2JEOL RESONANCE Inc. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=506
4:20pm - 4:35pm
NMR-Assisted Crystallography: Imaging Active Site Chemistry with Protons University of California - Riverside, Riverside, California, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=507
4:35pm - 4:50pm
NMR assisted structure determination of coordination polymers 1Department of Chemistry, Iowa State University, Ames, IA 50010 USA; 2Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011 USA; 3US DOE Ames Laboratory, Ames, Iowa, 50011, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=508
4:50pm - 5:05pm
A Strategy for Determining the Atomic-Resolution Structure of Micro-/Nanocrystalline Composite Solids Institute of Macromolecular Chemistry CAS, Prague, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=509
5:05pm - 5:20pm
A new NMR crystallographic protocol based on quadrupolar nuclei 1Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL, 32306; 2National High Magnetic Field Laboratory, Tallahassee, FL, 32310; 3Department of Chemistry and Biochemistry, University of Windsor, Windsor, ON, Canada N9B3P4 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=510
|
2:55pm - 5:55pm | SF-5: Software Fayre 5 Location: 221-2 Session Chair: Martin Lutz Session Chair: Claudia Millán |
|
2:55pm - 3:40pm
Scipion-ed for electron crystallography Stockholm University, Stockholm, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=682
3:40pm - 4:25pm
ConPlot: web-based tool for the visualization of protein contact maps and distograms integrated with other data University of Liverpool, Liverpool, United Kingdom 4:25pm - 5:10pm
Topological analysis with ToposPro and TopCryst Samara State Technical University, Samara, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=684
5:10pm - 5:55pm
DISCUS Diffuse Scattering and Structure Simulation 1Oak Ridge National Laboratory, Oak Ridge, United States of America; 2Institute of Condensed Matter Physics, FAU Erlangen-Nürnberg External Resource: https://www.xray.cz/iucrv/vidp.asp?id=685
|
5:10pm - 6:10pm | Afternoon break 5: Poster session C1, coffee/tea Location: Exhibition and poster area |
5:10pm - 6:10pm | Poster - 33 Chemical: Chemical crystallography
|
|
Poster session abstracts Structure-activity relationship of imidazo[4,-f]1,10-phenanthroline type ligands and their Rhenium(I) complexes-photoluminescence and DNA intercalation University of the Free State, Bloemfontein, South Africa External Resource: https://www.xray.cz/iucrp/P_452
X-ray crystallography investigation of Iron-nucleotide ternary coordination complexes Indian Institute Of Science, Bangalore, India External Resource: https://www.xray.cz/iucrp/P_445
Exploring Structural Implications of diphosphinamine ligands in Medicine and Catalysis 1University of the Free State; 2University of Zürich External Resource: https://7https://www.xray.cz/iucrp/P_467
Thermos-responsive single-component organic materials: Iso-symmetric phase transition, polymorphism and negative thermal expansion SHIV NADAR UNIVERSITY, Dadri, India External Resource: https://www.xray.cz/iucrp/P_464
Harnessing molecular rotations in plastic crystals: a holistic view for crystal engineering of adaptive soft materials IISER Kolkata, Mohanpur, India External Resource: https://www.xray.cz/iucrp/P_448
New insights about chemical etching for revelation of spontaneous fission tracks in garnets 1Geology Department, Geosciences Institute, Federal University of Minas Gerais - UFMG, Belo Horizonte, MG, Brazil.; 2Federal University of Pampa – Unipampa, Caçapava do Sul, RS, Brazil.; 3Department of Geology, Federal University of Rio Grande do Sul – UFRGS.; 4Department of Mining Engineering, School of Mines, Federal University of Ouro Preto – UFOP, Ouro Preto, MG, Brazil Experimental Electron Density of Melamine 1Department of Chemistry and Interdisciplinary Nanoscience Center (iNANO), Aarhus University, Aarhus, Denmark; 2Department of Physics, Faculty of Pure and Applied Sciences and Tsukuba Research Center for Energy Materials Science (TREMS), University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan External Resource: https://www.xray.cz/iucrp/P_451
Resolving P-stereogenic enantiomers at nonambient-conditions 1Centre for Structural Science, Research Centre for Natural Sciences, Hungary; 2Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungary; 3Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, Hungary; 44Advanced Membranes and Porous Materials Center, Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST) Thuwal, 23955–6900, Saudi Arabia; 5Department of Chemical Engineering and Analytical Science, The University of Manchester, United Kingdom; 6Department of Inorganic and Analytical Chemistr Budapest University of Technology and Economics, Hungary External Resource: https://www.xray.cz/iucrp/P_452
HoF(OH)2: A fluoride-containing holmium(III) hydroxide with UCl3-type crystal structure University of Stuttgart, Stuttgart, Germany External Resource: https://www.xray.cz/iucrp/P_466
Crystallochemistry of Ni(II) complexes based on halogen derivatives of 8-hydroxyquinoline with different bridging of central atoms 1Department of Inorganic Chemistry, Faculty of Science, Pavol Jozef Šafárik University in Košice, Slovakia; 2Department of Structure Analysis, Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic; 3Centre of Instrumental Techniques, Institute of Inorganic Chemistry, Czech Academy of Sciences, Řež, Czech Republic External Resource: https://www.xray.cz/iucrp/P_454
Zinc complexes with nitroderivatives of quinolin-8-ol 1Department of Inorganic Chemistry, Institute of Chemistry, P. J. Šafárik University in Košice, Moyzesova 11, 040 01 Košice, Slovakia; 2Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Prague, Czech Republic External Resource: https://www.xray.cz/iucrp/P_457
Radiation decay of (ZnI2)3(tpt)2 crystal sponge Institute of Physics of the Czech Academy of Sciences, Prague, Czech Republic External Resource: https://www.xray.cz/iucrp/P_450
Pr1.333[P2Se6]: A link between two non-isotypic relatives University of Stuttgart, Stuttgart, Germany External Resource: https://www.xray.cz/iucrp/P_462
Synthesis, characterization and in vitro activities of aniline dithiocarbamate crystals University of Fort Hare, Alice, South Africa External Resource: https://www.xray.cz/iucrp/P_444
Crystal structure of lead dinickel iron tris(orthophosphate): PbNi2Fe(PO4)3 University Mohammed V Faculty of sciences Rabat, RABAT, Morocco External Resource: https://www.xray.cz/iucrp/P_460
Butterfly Effect: Tracing Shape Memory Effect and Elastic Bending in a Conformationally Flexible Organic Salt 1Indian Institute of Science Education and Research, Bhopal, Bhopal, India; 2SRM institute of Science and Technology, Chennai, India External Resource: https://www.xray.cz/iucrp/P_446
Nucleophile assisted carbon dioxide fixation for a cleaner environment University of The Free State, Bloemfontein, South Africa External Resource: https://www.xray.cz/iucrp/P_465
Structure diversity of transition metal coordination compounds based on pyridine derivative co-ligands Cape Peninsula University of Technology, Cape Town, South Africa External Resource: https://www.xray.cz/iucrp/P_468
Molecular packing of mesogenic bicyclohexylnitrile compounds Raiganj University, Raiganj, India External Resource: https://www.xray.cz/iucrp/P_463
Three differently-colored polymorphs of a diketopirolopyrrole derivative having butyl groups 1Yokohama National University, Yokohama, Japan; 2Tokyo Printing Ink Mfg. Co., Ltd., Saitama, Japan External Resource: https://www.xray.cz/iucrp/P_459
Metastable disordered phase in flash-frozen Prussian Blue Analogues ETH Zurich, Zurich, Switzerland External Resource: https://www.xray.cz/iucrp/P_469
RHODIUM (I) N,O HYDROXAMIC ACID COMPLEXES AS MODEL CATALYSTS Universityof the Free State, Bloemfontein, South Africa External Resource: https://www.xray.cz/iucrp/P_458
Syntheses and crystal structures of new ruthenium(II) organometallic compounds with NSAID type ligands Slovak University of Technology, Bratislava , Slovak Republic External Resource: https://www.xray.cz/iucrp/P_455
Synthesis, phase characterization and crystal structure comparison of a self-made SmF2–SmFCl–SmFO mixture by XRD and EDX University of Stuttgart, Stuttgart, Germany External Resource: https://www.xray.cz/iucrp/P_447
Polyoxometalate crystals exhibiting twinning by merohedry Nihon University, Tokyo, Japan External Resource: https://www.xray.cz/iucrp/P_461
Predicting molecular isomerism of symmetrical and unsymmetrical N,N’-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, ∆Hfusion and ∆Sfusion determination 1School of Chemistry and Physics. University of KwaZulu Natal, Private Bag X54001, Durban, 4000, South Africa; 2School of Chemistry and Physics. University of KwaZulu Natal, Private Bag X01, Pietermaritzburg, South Africa External Resource: https://www.xray.cz/iucrp/P_470
From neutral to salt cocrystal development to gain superior performance of NSAIDs 1Bandung Institute of Technology, Bandung, Indonesia; 2Department of Chemistry, School of Science, Tokyo Institute of Technology, Japan External Resource: https://www.xray.cz/iucrp/P_720
Hirshfeld Atom Refinement of crystal structure and Hirshfeld surface analysis of five copper(II) fenamate complexes with N,N-diethylnicotinamide. Slovak University of Technology, Bratislava, Slovak Republic |
5:10pm - 6:10pm | Poster - 34 Catalysis: Catalysis Session Chair: Valérie Briois Session Chair: Andreas Roodt
|
|
Poster session abstracts In-situ XRPD analysis of active carbon supported Co-Mo ammonia synthesis catalysts activation West Pomeranian University of Technology in Szczecin, ul. Pułaskiego 10, Szczecin, Poland External Resource: https://www.xray.cz/iucrp/P_475
Dependence of wustite based iron catalyst crystallite size on ammonia synthesis reaction analysed by in-situ XRPD West Pomeranian University of Technology in Szczecin, ul. Pułaskiego 10, Szczecin, Poland External Resource: https://www.xray.cz/iucrp/P_474
How does precipitation pH affect structural transformations during activation of Co-Mo catalyst? In situ XPRD study West Pomeranian University of Technology in Szczecin, Pulaskiego 10, 70-322 Szczecin, Poland External Resource: https://www.xray.cz/iucrp/P_472
In-situ XRPD study of ammonolysis of cobalt-molybdenum ammonia synthesis catalysts with defined Co to Mo ratio West Pomeranian University of Technology in Szczecin, ul. Pułaskiego 10, Szczecin, Poland External Resource: https://www.xray.cz/iucrp/P_471
Immobilization of tungsten trioxide on the surface of mesoporous silica: structural investigation of the role of crystalline water on photocatalyst stability. Materials Nano-Materilas Unit, Energy Research Center, Mohammed V University in Rabat,Morocco External Resource: https://www.xray.cz/iucrp/P_477
Detailed information about the core/shell/surface structure of palladium nanoparticles by combined in situ and operando X-ray absorption and diffraction data 1Southern Federal University, Rostov-on-Don, Russia; 2Southern Scientific Center, Russian Academy of Science, Rostov-on-Don, Russia; 3European Synchrotron Radiation Facility, Grenoble, France External Resource: https://www.xray.cz/iucrp/P_473
Evolution of Pd/CeO2 surface morphology in situ monitored by FTIR spectroscopy The Smart Materials Research Institute, Southern Federal University, 344090 Rostov-on-Don, Russia External Resource: https://www.xray.cz/iucrp/P_478
Crystal growth and structural studies of spinel ferrites Department of Chemistry & Interdisplinary Nanoscience Center (iNANO), Aarhus University, Denmark External Resource: https://www.xray.cz/iucrp/P_476
|
5:10pm - 6:10pm | Poster - 35 Modulated: Composite and Incommensurate Modulated Crystals Session Chair: Sander van Smaalen Session Chair: Sylvain Ravy
|
|
Poster session abstracts A novel, statistical approach for structure determination of modulated pathogenesis-related protein (Hyp-1) complex with ANS 1AGH University of Science and Technology, Krakow, Poland; 2Center for Biocrystallographic Research, Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; 3Synchrotron Radiation Research Section, MCL, National Cancer Institute, Argonne National Laboratory, Argonne IL 60439, USA External Resource: https://www.xray.cz/iucrp/P_483
Incommensurately modulated structure - a means for increased luminescence efficiency in the solid state University of Warsaw, Warszawa, Poland External Resource: https://www.xray.cz/iucrp/P_480
Successive transitions to modulated states in the {R}Pt2Si2family 1Institut de Chimie de la Matière Condensée de Bordeaux, Pessac cedex, France; 2Charles University, Department of Condensed Matter Physics, Prague, Czech Republic; 3Institute of Physics of the Czech Academy of Sciences, Prague, Czech Republic; 4Institute of Molecular Physics, Polish Academy of Sciences, Poznań, Poland; 5Institut Parisien de Chimie Moléculaire, Sorbonne Université, Paris, France External Resource: https://www.xray.cz/iucrp/P_481
Local analysis of periodically modulated quasi-one-dimensional structures 1Jožef Stefan Institute, Ljubljana, Slovenia; 2Dept. of Physics, Acadia University, Wolfville, Nova Scotia, Canada External Resource: https://www.xray.cz/iucrp/P_484
Dynamical Properties of the Incommensuratly Modulated Rb2ZnCl4 Phase 1Laboratoire de Science et Ingénierie des Matériaux et Procédés, CNRS, Université Grenoble Alpes, Grenoble INP, 38402 Saint Martin d'Hères, France.; 2Laboratory of Crystallography, University of Bayreuth, 95447 Bayreuth, Germany.; 3Laboratoire Léon Brillouin (CEA-CNRS), Université Paris-Saclay CEA Saclay, 91191 Gif-sur-Yvette, France.; 4Institut Laue-Langevin, CS 20156, 38000 Grenoble, France.; 5CEA Grenoble, IRIG, MEM, NRS, Université Grenoble Alpes, 38000 Grenoble, France.; 6Institut Neel, CNRS, Université Grenoble Alpes, Grenoble INP, 38000 Grenoble, France.; 7CMTC, Grenoble INP, CNRS, 38402 Saint-Martin d'Hères, France. External Resource: https://www.xray.cz/iucrp/P_482
High-temperature structural studies of d-AlCuRh – phasonic stabilization AGH University of Science and Technology, Krakow, Poland External Resource: https://www.xray.cz/iucrp/P_488
Dodecahedral Structures from D6 lattice Sultan Qaboos University, Muscat, Oman External Resource: https://www.xray.cz/iucrp/P_485
Modulated molecular crystals: Incommensurate, high Zʹ forms and their variation as function of temperature and stress 1Institute of Crystallography, RWTH Aachen University, Jägerstraße 17-19, 52066 Aachen, Germany; 2Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur 741246, India; 3Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth, Germany External Resource: https://www.xray.cz/iucrp/P_487
Crystal symmetry for incommensurate helical and cycloidal modulations Faculty of Physics, University of Warsaw, Pasteura 5 PL 02-093 Warsaw, Poland External Resource: https://www.xray.cz/iucrp/P_486
Exploration of new quasicrystals and approximants by using machine learning 1Tokyo University of Science; 2Hokkaido University; 3The University of Tokyo; 4The Institute of Statistical Mathematics External Resource: https://www.xray.cz/iucrp/P_479
|
5:10pm - 6:10pm | Poster - 36 Disordered: Disordered materials Session Chair: Simon Billinge Session Chair: Angela Trapananti
|
|
Poster session abstracts Preferred orientation in modified clay/polymer composite films 1Laboratory of Applied Crystallography, School of Science and Technology, National University of San Martin, San Martin, Buenos Aires CP B1650, Argentina; 2CoMP, INTEMA, National University of Mar del Plata, Mar del Plata CP 7600, Argentina External Resource: https://www.xray.cz/iucrp/P_496
Surface sensitive x-ray spectroscopy (TREXS) for nanoscale surface study and multi-modal development 1High Energy Accerelator High Energy Accelerator Research Organization (KEK), Tsukuba, Japan; 2SOKENDAI (The Graduate University for Advanced Studies)Tsukuba, Japan; 3Ibaraki University, Mito, Japan External Resource: https://www.xray.cz/iucrp/P_492
Structural refinement of aqueous zirconium oxychloride using total scattering methods University of Central Lancashire, Preston, United Kingdom External Resource: https://www.xray.cz/iucrp/P_494
Disordering mechanism during Li-ion intercalation in nano-rutile TiO2 1University of Southern Denmark, Odense S, Denmark; 2Massachussetts Institute of Technology, Cambridge, MA, USA; 3Aarhus University, Aarhus, Denmark External Resource: https://www.xray.cz/iucrp/P_493
An anomalous diffraction study of Cu2Zn(Ge,Si)Se4 Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany External Resource: https://www.xray.cz/iucrp/P_490
Spectroscopic and Pair Distribution Evidence for Hexamethylenetetramine (HMT) as Adsorbents and Absorbents of Nano-ceria 1Brookhaven National Laboratory, Upton, NY, United States of America; 2Columbia University, New York, NY, United States of America External Resource: https://www.xray.cz/iucrp/P_491
The structure of bulk Al2O3 glass 1National Institute for Materials Science, Tsukuba, Japan; 2Kyoto University, Kumatori, Japa; 3University of Ryukyus, Nishihara, Japan; 4Kogakuin University, Hachioji, Japan External Resource: https://www.xray.cz/iucrp/P_495
Structure of sustainable lead-free low-melting vanadate glass 1Kyoto University, Osaka, Japan; 2National Institute for Materials Science, Ibaraki, Japan; 3Hitachi Ltd., Ibaraki, Japan; 4Hiroshima University, Hiroshima, Japan; 5Kumamoto University, Kumamoto, Japan; 6Japan Synchrotron Radiation Research Institute, Hyogo, Japan; 7Rutherford Appleton Laboratory, Oxon, UK; 8Wigner Research Centre for Physics, Budapest, Hungary External Resource: https://www.xray.cz/iucrp/P_497
|
5:10pm - 6:10pm | Poster - 37 Biomineralization: Biomineralization, advanced biomimetic materials Session Chair: Giuseppe Falini Session Chair: Juan Manuel Garcia-Ruiz
|
|
Poster session abstracts Ecomorphological, behavioural and physiological patterns in otoliths 1Department of Chemistry <<Giacomo Ciamician>>, University of Bologna, Via Selmi 2, 40126 Bologna, Italy; 2Laboratory of Fisheries and Marine Biology at Fano, Department of Biological, Geological and Environmental Sciences, University of Bologna, Viale Adriatico 1/N, 61032, Fano, Italy; 3Computational Science Lab, University of Amsterdam, Science Park 904, 1098XH, Amsterdam, the Netherlands; 4Marine Science Group, Department of Biological, Geological and Environmental Sciences, University of Bologna, Via Selmi 3, 40126 Bologna, Italy; 5Institute of Materials Physics, Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, Geesthacht, D-21502, Germany; 6Fano Marine Center, The Inter-Institute Center for Research on Marine Biodiversity, Resources and Biotechnologies, Viale Adriatico 1/N 61032 Fano, Italy External Resource: https://www.xray.cz/iucrp/P_502
Rietveld and pair-distribution function analysis of nanogranular mesocrystalline shells of hyaline foraminifers 1Department of Climate Geochemistry, Max Planck Institute for Chemistry, Hahn-Meitner-Weg 1, 55128 Mainz, Germany; 2Institute of Geosciences, Goethe University Frankfurt, Altenhöferallee 1, 60438 Frankfurt a.M., Germany; 3Institute of Inorganic and Analytical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt a.M., Germany; 4Institute of Geosciences, Johannes Gutenberg University Mainz, Johann-Joachim-Becher-Weg 21, 55128 Mainz, Germany; 5Department of Earth Sciences, ETH Zurich, Sonneggstrasse 5, 8092 Zurich, Switzerland External Resource: https://www.xray.cz/iucrp/P_499
Bio-complexes as supermolecules: towards the design of idealized peptide-based ligands Technical University of Lodz, Poland, Lodz, Poland Unique Mode(s) of Action of Ions on Calcium Oxalate Mineralization University of the Philippines Diliman, Quezon City, Philippines External Resource: https://www.xray.cz/iucrp/P_500
Antimicrobial nanolayered and nanofibrous metal phosphates for prospective biomedical applications 1Unit of Electron Microscopy and Nanotechnology, Institute for Scientific and Technological Resources (SCTs), University of Oviedo, 33006 Oviedo , Spain; 2Department of Material Science and Metallurgical Engineering, University of Oviedo, 33203 Gijón, Spain; 3Department of Organic and Inorganic Chemistry, University of Oviedo, 33006 Oviedo, Spain External Resource: https://www.xray.cz/iucrp/P_503
Biomimetic Strategies for 4.0 V All-Solid-State Flexible Supercapacitor: Moving toward Eco-friendly, Safe, Aesthetic, and High-Performance Devices National Synchrotron Radiation Research Center, Hsinchu, Taiwan External Resource: https://www.xray.cz/iucrp/P_507
Crystal structure and SOD activity of a hybrid lysozyme including an amino acid Schiff base copper complex 1Department of Chemistry, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan; 2Graduate School of Science and Engineering, Ibaraki University, Hitachi, Ibaraki 316-8511, Japan External Resource: https://www.xray.cz/iucrp/P_498
|
5:10pm - 6:10pm | Poster - 38 Energy: Materials for energy conversion and storage Session Chair: Stefan Adams Session Chair: Jean-Marc Joubert
|
|
Poster session abstracts Hydrogen bonding in hybrid organic-inorganic perovskite materials Oak Ridge National Laboratory, Oak Ridge, United States of America External Resource: https://www.xray.cz/iucrp/P_522
Combined crystallochemical and quantum-chemical search for new high-valent chalcogen-containing ionic conductors 1Samara Center for Theoretical Materials Science, Samara, Russian Federation; 2Samara Center for Theoretical Materials Science, Samara Polytech, Samara, Russian Federation; 3IEP TUBAF, Freiberg, Germany External Resource: https://www.xray.cz/iucrp/P_514
Cation disorder in zinc-group IV- nitride and oxide nitride semiconductor materials revealed through neutron diffraction 1Helmholtz-Zentrum Berlin fuer Materialien und Energie, Berlin, Germany; 2Freie Universitaet Berlin, Institute of Geological Sciences, Berlin, Germany; 3Universitaet Potsdam, Institute of Chemistry, Potsdam, Germany External Resource: https://www.xray.cz/iucrp/P_521
Crystal structure and Mössbauer studies of gallium iron borate single crystals 1Shubnikov Institute of Crystallography of FSRC “Crystallography and Photonics” RAS, 119333, Moscow, Russia; 2Physics and Technology Institute, V.I. Vernadsky Crimean Federal University, 295007, Simferopol, Russia External Resource: https://www.xray.cz/iucrp/P_518
Model construction of actuation performance of a photo-bending crystal using machine learning-based regression. 1Graduate School of Advanced Science and Engineering, Waseda University, Tokyo, Japan; 2Research Organization for Nano & Life Innovation, Waseda University, Tokyo, Japan; 3Center for Data Science, Waseda University, Tokyo, Japan External Resource: https://www.xray.cz/iucrp/P_517
Expanded chemistry and mixed ionic-electronic conductivity in vanadium-substituted variants of γ-Ba4Nb2O9 1School of Chemistry, The University of Sydney, Sydney, Australia; 2Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE, U.K.; 3Institut Laue Langevin, 71 Rue de Martyrs, 38000 Grenoble, France; 4Australian Nuclear Science and Technology Organisation, Lucas Heights NSW 2234, Australia; 5Australian Synchrotron, Clayton, Victoria, 3168 Australia External Resource: https://www.xray.cz/iucrp/P_509
Environmentally Friendly Rhodium(I) Model Catalysts tailored by various bidentate and monodentate (water-soluble) ligand. University of The Free State, Pretoria, South Africa External Resource: https://www.xray.cz/iucrp/P_524
Synthesis, characterization of high-temperature properties and evaluation of REBa2Cu3O6+δ (RE = La, Nd and Y) as cathode for Intermediate Temperature Solid Oxide Fuel Cells. 1Facultad de Química, Universidad de la República, Montevideo , Uruguay; 2Departamendo de Química, Universidad de los Andes, Bogotá, Colombia; 3Departamento de Caracterización de Materiales, CAB-INN-CONICET-CNEA, Bariloche, Argentina External Resource: https://www.xray.cz/iucrp/P_516
Lattice disorder and oxygen migration pathways in pyrochlore and defect-fluorite oxides 1School of Chemistry, The University of Sydney, Sydney; 2Australian Nuclear Science and Technology Organisation; 3Neutron Scattering Division, Oak Ridge National Laboratory External Resource: https://www.xray.cz/iucrp/P_515
LiFe2-xInxSbO6 Oxides as Li-ion Cathode Materials 1Inorganic Chemistry Laboratory, University of Oxford, Oxford, United Kingdom; 2Department of Chemical and Biological Engineering, The University of Sheffield, United Kingdom; 3Department of Chemistry, University College London, United Kingdom External Resource: https://www.xray.cz/iucrp/P_523
Enigmatic Structure Property Behaviour in SOFC & SOEC electrolyte materials University of the Witwatersrand, Johannesburg, South Africa External Resource: https://www.xray.cz/iucrp/P_513
Time resolved structure analysis of vibrating gallium phosphate under alternating electric field 1Department of Information and Basic Science, Nagoya City University, Nagoya 467-8501, Japan; 2Research and Utilization Division, Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198, Japan; 3Institute for Integrated Cell-Material Sciences (iCeMS), Kyoto University, Yoshida-Ushinomiya-cho, Sakyo-ku, Kyoto 606-8501, Japan; 4Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama, 338-8570, Japan External Resource: https://www.xray.cz/iucrp/P_511
Analysis of multi-layer thin film materials using benchtop XRD and XRF systems 1Thermo Fisher Sceintific, Dreieich, Germany; 2Thermo Fisher Sceintific, Artenay, France; 3Thermo Fisher Sceintific, Dreieich, Germany Exploring the magnetocaloric effect in the Ln(HCO2)(C2O4) family of Metal-Organic Frameworks 1School of Phyisical Sciences, University of Kent, Canterbury, UK; 2ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot, UK External Resource: https://www.xray.cz/iucrp/P_519
Operando SAXS/WAXS studies for structure determination of energy storage materials using a unique electrochemical-scattering cell 1Anton Paar GmbH, Graz, Austria; 2ETH Zürich, Zürich, Switzerland External Resource: https://www.xray.cz/iucrp/P_510
The role of Al3+, Dy3+ co-doping on the structure-property correlations in NASICON-type LiTi2(PO4)3 solid-state electrolytes 1Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, South Africa; 2DSI-NRF Centre of Excellence in Strong Materials (CoE-SM) External Resource: https://www.xray.cz/iucrp/P_508
|
5:10pm - 6:10pm | Poster - 39 Neutrons: Neutron scattering Session Chair: Esko Oksanen Session Chair: Matthew Paul Blakeley Session Chair: Jiri Kulda
|
|
Poster session abstracts Identification of crystallographic planes of a polyhedral crystal at SENJU 1Neutron Science and Technology Center, CROSS, Tokai, Ibaraki 319-1106, Japan; 2Department of Quantum Matter, AdSM, Hiroshima University, Hiroshima 739-8530, Japan; 3Department of Physical Science and Engineering, Graduate School of Engineering, Nagoya Institute of Technology, Nagoya 466-8555, Japan; 4J-PARC Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195, Japan External Resource: https://www.xray.cz/iucrp/P_525
Upgrades of a TOF single-crystal neutron diffractometer SENJU for improvement of versatility 1J-PARC Center, Japan Atomic Energy Agency, Tokai, Ibaraki, Japan; 2Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society, Tokai, Ibaraki, Japan External Resource: https://www.xray.cz/iucrp/P_533
Macromolecular Neutron Diffraction at the Heinz Maier-Leibnitz Zentrum 1Technical University Munich, Heinz Maier-Leibnitz Zentrum MLZ, Garching, Germany; 2Jülich Centre for Neutron Science (JCNS) at Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany External Resource: https://www.xray.cz/iucrp/P_526
Towards generalised diffraction integration software: neutron diffraction analysis in DIALS 1Science and Technology Facilities Council, Didcot, United Kingdom; 2CCP4, Research Complex at Harwell, Rutherford Appleton Laboratory, Didcot, United Kingdom External Resource: https://www.xray.cz/iucrp/P_528
Toward elucidating the mechanism of lytic polysaccharide monooxygenases: Chemical insights from X-ray and neutron crystallography 1Department of Molecular and Structural Biochemistry, North Carolina State University, Raleigh, NC 27695, USA; 2Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. External Resource: https://www.xray.cz/iucrp/P_529
Application of machine learning and kernel density estimation for efficient data treatment on single crystal diffraction data 1J-PARC center, Japan Atomic Energy Agency, Ibaraki, Japan; 2Neutron Science and Technology center, Comprehensive Research Organization for Science and Society, Ibaraki, Japan External Resource: https://www.xray.cz/iucrp/P_532
Protein neutron diffraction experiment with dynamic nuclear polarization Ibaraki University, Ibaraki, Japan External Resource: https://www.xray.cz/iucrp/P_530
In search of anharmonic motion of H-atoms 1Department of Chemistry, University of Warsaw, Pasteura 1, 02093 Warszawa, Poland; 2Institut Laue-Langevin, 71 Ave Des Martyrs, CS 20156, 38042, Grenoble Cedex 9, Grenoble, France External Resource: https://www.xray.cz/iucrp/P_721
|
5:10pm - 6:10pm | Poster - 40 NMR: NMR crystallography Session Chair: David Bryce Session Chair: Martin Dracinsky
|
|
Poster session abstracts Exploring zinc-terephthalate complexes through multi nuclear ssNMR and in-situ reaction monitoring by Raman spectroscopy 1ICGM, Univ Montpellier, CNRS, ENSCM, Montpellier, France; 2IBMM, Univ Montpellier, CNRS, ENSCM, Montpellier, France External Resource: https://www.xray.cz/iucrp/P_534
Solid - State NMR Crystallography Analysis of Lorlatinib, an Active Pharmaceutical Ingredient University of Warwick, Coventry, United Kingdom External Resource: https://www.xray.cz/iucrp/P_535
|
6:10pm - 7:00pm | KN-25: A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process and the Discovery of Inhibitors Location: Club A Session Chair: Julie Bouckaert Glaucius Oliva |
|
A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process 1Institute of Physics of Sao Carlos, University of Sao Paulo, Brazil; 2BioMAX, MAX IV Laboratory, Lund, Sweden; 3Brazilian Synchrotron Light Laboratory (LNLS), Campinas, Brazil External Resource: https://www.xray.cz/iucrv/vidp.asp?id=48
|
6:10pm - 7:00pm | KN-26: Complexity in crystals and minerals Location: Terrace 2A Session Chair: Milan Rieder Sergey Krivovichev |
|
Natural polyoxometalates: diversity, complexity and divergence from synthetic chemistry 1Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; 2St. Petersburg State University, University Emb. 7/9, 199034 St. Petersburg, Russia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=49
|
6:10pm - 7:00pm | KN-27: The crystal and the rose: On the impact of crystals and crystallography in art and mind Location: Terrace 2B Session Chair: Abel MORENO Juan Manuel García-Ruiz |
|
The crystal and the rose: On the impact of crystals and crystallography on arts and mind Laboratorio de Estudios Cristalográficos. Consejo Superior de Investigaciones Cientificas-Universidad de Granada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=50
|
7:10pm - 7:50pm | PL-2: In situ and ex situ studies of battery materials with magnetic resonance and diffraction methods Location: Terrace 2A Session Chair: Juergen Senker Clare Grey |
|
In situ and ex situ studies of battery materials with magnetic resonance and diffraction methods University of Cambridge, Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=928
|
7:50pm - 10:15pm | IUCr-3: IUCr assembly Location: Club H Session Chair: Sven Lidin Session Chair: Luc Van Meervelt Session Chair: Alex Ashcroft IUCr assembly 3 |