Session Overview | |
Location: Club H 100 1st floor |
| |
2:00pm - 5:00pm | School - Electron 4: Electron Crystallography School Location: Club H Session Chair: Xiaodong Zou Session Chair: Louisa Meshi Session Chair: Lukáš Palatinus |
| |
10:20am - 12:45pm | MS-7: High troughput vs. careful planning: How to get the best data? Location: Club H Session Chair: John Richard Helliwell Session Chair: Selina Lea Sophie Storm Invited: Danny Axford (UK), Aina Cohen (USA) |
|
10:20am - 10:25am
ID: 1737 / MS-7: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1359 / MS-7: 2 Theory, computation, modelling, data, standards Invited lecture to session MS: High troughput vs. careful planning: How to get the best data? Keywords: structural biology, automation, serial crystallography, controlled humidity Next-generation Automation and Remote-access Crystallography Stanford Synchrotron Radiation Lightsource (SSRL) and Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, Stanford University, Menlo Park, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=484
10:55am - 11:25am
ID: 1011 / MS-7: 3 Theory, computation, modelling, data, standards Invited lecture to session MS: High troughput vs. careful planning: How to get the best data? Keywords: macromolecular crystallography, multi-crystal, serial crystallography, SSX, high-throughput Strength in Numbers: Exploiting the space between single crystal oscillation and serial femtosecond crystallography Diamond Light Source, Harwell Oxford, Didcot, OX11 0DE, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=485
11:25am - 11:45am
ID: 1001 / MS-7: 4 Theory, computation, modelling, data, standards Oral/poster MS: High troughput vs. careful planning: How to get the best data? Keywords: Autonomous experimentation Towards High-Throughput Autonomous Infrared Spectromicroscopy LBNL, Berkeley, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=486
11:45am - 12:05pm
ID: 674 / MS-7: 5 Theory, computation, modelling, data, standards Oral/poster MS: High troughput vs. careful planning: How to get the best data? Keywords: MX data, Strategy, Low intensity, High multiplicity, Anomalous data Strategy in the age of 360° sweeps DECTRIS, Baden-Dättwil, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=487
12:05pm - 12:25pm
ID: 222 / MS-7: 6 Bursary application Oral/poster MS: Stimuli-responsive crystalline compounds, High troughput vs. careful planning: How to get the best data?, Data-driven discovery in crystallography Keywords: flexible crystal, elastic crystal, automation, mechanisms, synchrotron Exploring the mechanism of elastically flexible crystals by automatic analysis 1The University of Queensland, St Lucia, QLD, Australia; 2The Australian Synchrotron, Clayton, VIC, Australia Bibliography
Bhandary, S.; Thompson, A. J.; McMurtrie, J. C.; Clegg, J. K.; Ghosh, P.; Mangalampalli, S.; Takamizawa, S.; Chopra, D., The mechanism of bending in a plastically flexible crystal. Chem. Commun. 2020, 56, 12841-12844. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=488
ID: 686
/ MS-7: 7
Bursary application Oral/poster MS: Automation in bio-crystallography: tools, perspectives and applications, Structural biology of enzymes, mechanism and regulation, High troughput vs. careful planning: How to get the best data? Posters only: Hot structures of biological importance, Macromolecular and biological crystallography (if it does not fit to any specific topics), Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: resolution, software, automation, refinement, macromolecular crystallography Finding the optimal resolution cutoff with PAIREF 1Czech Technical University in Prague, Czech Republic, Faculty of Nuclear Sciences and Physical Engineering; 2Institute of Biotechnology of the Czech Academy of Sciences, Biocev; 3University of Konstanz; 4University of Chemical and Technology Prague, Department of Biochemistry and Microbiology Bibliography
Malý, M., Diederichs, K., Dohnálek, J. & Kolenko, P. (2020). "Paired refinement under the control of PAIREF" IUCrJ 7, pp. 681–692. Kolenko, P., Stránský, J., Kovaľ, T., Malý, M., Dohnálek, J. “SHELiXir: Automation of experimental phasing procedures using SHELX C/D/E” J. Appl. Cryst. - accepted for publication External Resource: https://www.xray.cz/iucrv/vidp.asp?id=489
|
2:45pm - 5:10pm | MS-12: Quantum crystallographic studies on intra/inter-molecular interactions Location: Club H Session Chair: Anna Maria Makal Session Chair: Chérif F. Matta Invited: Jacob Overgaard (Denmark), Benoit Guillot (France) |
|
2:45pm - 2:50pm
ID: 1742 / MS-12: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1021 / MS-12: 2 Theory, computation, modelling, data, standards Invited lecture to session MS: Quantum crystallographic studies on intra/inter-molecular interactions Keywords: Transferability, Electron density, Polarization, Polarizability, Protein-ligand complexes Beyond multipolar pseudoatom transferability: accounting for intermolecular polarization effects in protein-ligand complexes. Université de Lorraine, CNRS, CRM2, F-54000 Nancy, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=121
3:20pm - 3:50pm
ID: 1259 / MS-12: 3 Theory, computation, modelling, data, standards Invited lecture to session MS: Quantum crystallographic studies on intra/inter-molecular interactions Keywords: Single molecule magnets, electron density, polarized neutron diffraction, synchrotron, multipole model Using advanced X-ray and neutron diffraction techniques in single molecule magnets research 1Department of Chemistry, Aarhus University, Aarhus C, Denmark; 2LLB, CEA, CE de Saclay, Gif sur Yvette, 91191, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=122
3:50pm - 4:10pm
ID: 493 / MS-12: 4 Chemical crystallography, crystal structures Oral/poster MS: Quantum crystallographic studies on intra/inter-molecular interactions Keywords: charge density, high pressure, variable temperature, transferrable multipoles, two-electron multicentric bonding Use of transferrable multipoles to extend the range of X-ray charge density study to variable-temperature and high pressure 1Rudjer Bošković Institute, Zagreb, Croatia; 2Jagiellonian University, Krakow, Poland; 3Novosibirsk State University, Novosibirsk, Russian Federation; 4Universite de Lorraine, Nancy, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=123
4:10pm - 4:30pm
ID: 763 / MS-12: 5 All topics Oral/poster MS: Quantum crystallography in materials science, Quantum crystallography research, Quantum crystallographic studies on intra/inter-molecular interactions, Quantum crystallography challenges and newest accomplishments Keywords: Non-covalent interactions, NCI method, ELMO-libraries, biological macromolecules, quantum crystallography NCI-ELMO: towards a more quantitative description of non-covalent interactions in macromolecules 1CNRS & University of Lorraine, Laboratory of Theoretical Physics and Chemistry, UMR CNRS 7019, 1 Boulevard Arago, 57078 Metz, France; 2CNRS & Sorbonne University, Laboratory of Theoretical Chemistry, UMR CNRS 7616, 4 Place Jussieu, 75005 Paris, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=124
4:30pm - 4:50pm
ID: 410 / MS-12: 6 Bursary application Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering, Quantum crystallographic studies on intra/inter-molecular interactions, Disordered materials: spectroscopic and scattering techniques Keywords: Organic eutectic, microstructure, domain boundaries, hetero-molecular interactions Organic eutectics: characterization, microstructural evolution, and properties. 1Solid State & Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, India; 2Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru 560064, India; 3Molecular Biophysics Unit, Indian Institute of Science, Bengaluru 560012, India. Bibliography
1. T. Pramanik, M. S. Pavan and T. N. Guru Row, Faraday Discussions, 203, 2017, 371-388. "Do halogen bonds dictate the packing preferences in solid solutions?" External Resource: https://www.xray.cz/iucrv/vidp.asp?id=125
4:50pm - 5:10pm
ID: 263 / MS-12: 7 All topics Oral/poster MS: Quantum crystallography in materials science, Quantum crystallography research, Quantum crystallographic studies on intra/inter-molecular interactions, Non-covalent interactions in crystal engineering Keywords: metal-organic frameworks (MOFs), intermolecular interactions, non-covalent interactions, adsorption, materials design Strength and nature of host-guest interactions in metal-organic frameworks from a quantum chemical perspective 1Heidelberg Institute for Theoretical Studies (HITS gGmbH), 69118 Heidelberg, Germany; 2Interdisciplinary Center for Scientific Computing, Heidelberg University, 69120 Heidelberg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=126
|
7:15pm - 10:15pm | IUCr: IUCr assembly Location: Club H Session Chair: Sven Lidin Session Chair: Alex Ashcroft Session Chair: Luc Van Meervelt IUCr assembly 1 Videos: Finance report -
Part 2 |
| |
10:20am - 12:45pm | MS-24: Data-driven discovery in crystallography Location: Club H Session Chair: Olivier C. Gagné Session Chair: Anton Oliynyk Invited: Wenhao Sun (USA), Aria Mansouri Tehrani (Switzerland) |
|
10:20am - 10:25am
ID: 1753 / MS-24: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 603 / MS-24: 2 Theory, computation, modelling, data, standards Invited lecture to session MS: Data-driven discovery in crystallography Keywords: Computational materials discovery, Exploratory synthesis, Unsupervised Machine Learning, Stability Maps Unsupervised Knowledge Discovery in ‘Big’ Materials Data University of Michigan, Ann Arbor, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=196
10:55am - 11:25am
ID: 1351 / MS-24: 3 Theory, computation, modelling, data, standards Invited lecture to session MS: Data-driven discovery in crystallography Keywords: Machine Learning; Bismuth Ferrite; Distortion Modes; DFT Predicting ground state and metastable crystal structures using elemental and phonon mode ETH Zurich, Zurich, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=197
11:25am - 11:45am
ID: 857 / MS-24: 4 Theory, computation, modelling, data, standards Oral/poster MS: Data-driven discovery in crystallography Keywords: self-assembly. crystal structures, isotropic pair potentials Beyond the constraints of chemistry: Crystal structure discovery in particle simulations 1University of Michigan, Ann Arbor, MI, USA; 2Cornell University, Ithaca, NY, USA; 3University of California, San Francisco, CA, USA; 4Argonne National Laboratory, Argonne, IL, USA; 5Friedrich-Alexander University Erlangen-Nürnberg, Erlangen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=198
11:45am - 12:05pm
ID: 894 / MS-24: 5 Theory, computation, modelling, data, standards Oral/poster MS: Crystal structure prediction, Advanced methods for analysis of XAFS and crystallographic data, Data-driven discovery in crystallography Keywords: Defect, Pair distribution function, Data-driven, Matrix factorization Data-driven approaches on pair distribution function data: matrix factorization and clustering Carnegie Mellon University, Pittsburgh, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=199
12:05pm - 12:25pm
ID: 128 / MS-24: 6 Theory, computation, modelling, data, standards Oral/poster MS: High troughput vs. careful planning: How to get the best data?, Data-driven discovery in crystallography Keywords: Nanodiffraction, x-rays, powder diffraction, computer simulations First-principle diffraction simulations as a tool to solve the nanodiffraction problem 1Ozyegin University, Istanbul, TURKEY; 2Columbia University, New York, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=200
12:25pm - 12:45pm
ID: 1139 / MS-24: 7 Theory, computation, modelling, data, standards Oral/poster MS: Quantum crystallographic studies on intra/inter-molecular interactions, Data-driven discovery in crystallography Keywords: Cambridge Structural Database; noncovalent interactions; ab initio calculations; aromatic molecules; metal complexes Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database 1Innovation center of the Faculty of Chemistry, Belgrade, Serbia; 2Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Belgrade, Serbia; 3Faculty of Chemistry, Belgrade University, Belgrade, Serbia |
12:45pm - 2:45pm | Meeting ECA1: ECA Council Meeting Location: Club H Session Chair: Udo Heinemann Session Chair: Arie van der Lee ECA council meeting 1 |
2:45pm - 5:10pm | MS-30: Magnetic structures of novel and functional materials Location: Club H Session Chair: Virginie Simonet Session Chair: Václav Petříček Invited: Wei Tian (USA), Jonathan White (Switzerland) |
|
2:45pm - 2:50pm
ID: 1759 / MS-30: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 179 / MS-30: 2 Physics and fundamental crystallography Invited lecture to session MS: Magnetic structures of novel and functional materials Keywords: neutron scattering, magnetic structure, magnetoelectric effect, molecular magnet IInvestigating the nature of the magnetoelectric coupling in molecular (ND4)2[FeCl5(D2O)] via neutron scattering studies Oak Ridge National Laboratory, Oak Ridge, United States of America 3:20pm - 3:50pm
ID: 1176 / MS-30: 3 Physics and fundamental crystallography Invited lecture to session MS: Magnetic structures of novel and functional materials Keywords: magnetism, incommensurate, symmetry, multi-k, meron Multi-k magnetic phases and topological charges in the candidate Weyl semimetal CeAlGe Paul Scherrer Institute, Villigen, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=239
3:50pm - 4:10pm
ID: 1023 / MS-30: 4 Physics and fundamental crystallography Oral/poster MS: Magnetic structures of novel and functional materials Keywords: Magnetism, Frustated, Cobaltate, magnetetoelectric, incommensurate order Novel incommensurate magnetic phase in the magnetoelectric Sr-doped cobaltate CaBaCo4O7 1Comisión Nacional de Energía Atómica–Laboratorio Argentino de Haces de Neutrones, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 2Laboratorio de Cristalografía Aplicada, Escuela de Ciencia y Tecnología, Universidad Nacional de San Martín, Martín de Irigoyen 3100, Campus Miguelete, San Martín (1650), Buenos Aires, Argentin; 3Instituto de Nanociencia y Nanotecnología CNEA-CONICET, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 4Instituto Balseiro, Universidad Nacional de Cuyo - Comisión Nacional de Energía Atómica, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 5Instituto de Ciencia de Materiales de Aragón (CSIC - Universidad de Zaragoza) and Departamento de Física de Materia Condensada, Universidad de Zaragoza. C/Pedro Cerbuna 12, E-50009 Zaragoza, Spain; 6Institut Laue Langevin. 71, Av des Martyrs, BP 156 F-38042 Grenoble, France; 7Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland; 8Comisión Nacional de Energa Atómica and CONICETLaboratorio Argentino de Haces de Neutrones. Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina External Resource: https://www.xray.cz/iucrv/vidp.asp?id=240
4:10pm - 4:30pm
ID: 546 / MS-30: 5 Bursary application Oral/poster MS: Magnetic structures of novel and functional materials, Non-covalent interactions in crystal engineering Posters only: Crystallography in industry and applied sciences, Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: supramolecular assemblies of copper(II) complexes, antifferomagnetic spin chains, intermolecular interactions, magneto-structural correlations View outside the box: Supramolecular synthon and intermolecular interactions as a directing tool for shaping magnetic behaviour in design of supramolecular architectures of copper(II) complexes FACULTY OF SCIENCE, UNIVERSITY OF ZAGREB, Zagreb, Croatia Bibliography
List of abstracts published at conference proceedings: 1. 26th Croatian-Slovenian Crystallographic Meeting, CSCM26, Rovinj, Croatia, 13.6. - 17.06.2018., N. Penić, M. Borovina, M. Đaković, Supramolecular architectures of copper(II) halide complexes with amine and lactame derivatives of pyrazine and pyrimidine, page 40 2. IUPAC Workshop, Greenville, SC, USA, 09.6.-10.6.2018., M. Đaković, N. Penić, N. Matijaković, Chalcogen bonding in supramolecular assemblies of coordination polymers of cadmium(II), page 51 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=241
4:30pm - 4:50pm
ID: 1094 / MS-30: 6 Physics and fundamental crystallography Oral/poster MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality, Magnetic structures of novel and functional materials, Phase transitions in complex materials (structure and magnetism) Keywords: mode crystallography, phase transition, anisotropic strain Structural phase transition and magnetic phase diagram of the lacunar spinel GaMo4Se8 1Diffraction group, Institut Laue-Langevin (ILL) Grenoble, France; 2Department of Physics, University of Liverpool, United Kingdom; 3Department of Chemistry, University of Liverpool, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=242
4:50pm - 5:10pm
ID: 792 / MS-30: 7 Physics and fundamental crystallography Oral/poster MS: Magnetic structures of novel and functional materials, Perovskites Keywords: perovskite, magnetic structure, spin reorientation, neutron powder diffraction Neutron powder diffraction studies of magnetic transitions in Fe-based orthorhombic perovskites 1CRISMAT, Normandie Univ, ENSICAEN, UNICAEN, CNRS, Caen, France; 2INFIQC, CONICET-UNC, Córdoba, Argentina External Resource: https://www.xray.cz/iucrv/vidp.asp?id=243
|
7:15pm - 10:15pm | IUCr-2: IUCr assembly Location: Club H Session Chair: Sven Lidin Session Chair: Luc Van Meervelt Session Chair: Alex Ashcroft IUCr assembly 2 |
| |
10:20am - 12:45pm | SMS-3: Online crystallography: Tools, apps and web services Location: Club H Session Chair: Eugene Krissinel Session Chair: Christian Bertram Hübschle Invited: Mois Ilia Aroyo (Spain), Victor Lamzin (Germany) |
|
10:20am - 10:25am
ID: 1837 / SMS-3: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 834 / SMS-3: 2 Special Sessions Invited lecture to session Special sessions: Online crystallography: Tools, apps and web services Keywords: online symmetry database; space-group symmetry; symmetry relations between space groups; crystallographic point groups Symmetry database of International Tables online 1eFaber Soluciones Inteligentes SL., Bilbao (Spain); 2Institute of Applied Geosciences, Karlsruhe Institute of Technology, Karlsruhe (Germany); 3Editorial Office, International Union of Crystallography, Chester (England); 4Departamento de Física, Universidad del País Vasco UPV/EHU, Bilbao (Spain) External Resource: https://www.xray.cz/iucrv/vidp.asp?id=701
10:55am - 11:25am
ID: 1535 / SMS-3: 3 All topics Invited lecture to session Special sessions: Online crystallography: Tools, apps and web services Keywords: ARP/wARP, web services, model building, macromolecular crystallography, cryo-electron microscopy Macromolecular Model Building Over the Web EMBL, Hamburg, Germany 11:25am - 11:45am
ID: 1213 / SMS-3: 4 Special Sessions Oral/poster Special sessions: Online crystallography: Tools, apps and web services Keywords: resilience, call out, on call, support, MX Live monitoring onsite, remote and unattended data collection on synchrotron MX beamlines Diamond Light Source, Harwell Science and Innovation Campus, Chilton, Didcot, OX11 0DE, UK External Resource: https://www.xray.cz/iucrv/vidp.asp?id=703
11:45am - 12:05pm
ID: 967 / SMS-3: 5 Special Sessions Oral/poster Special sessions: Exemplary practice in chemical, biological and materials database archiving, Introduction to machine learning, Online crystallography: Tools, apps and web services Keywords: machine learning, lattice energy prediction, crystal invariant and similarities, continuous classification of crystals Introduction to invariant-based machine learning for periodic crystals University of Liverpool, Liverpool, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=704
12:05pm - 12:25pm
ID: 1435 / SMS-3: 6 All topics Oral/poster Special sessions: Online crystallography: Tools, apps and web services Keywords: CCP4, macromolecular crystallography, web applications, cloud Solving Macromolecular Structures Online with CCP4 Science and Technology Facilities Council, Didcot, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=705
12:25pm - 12:45pm
ID: 1872 / SMS-3: 7 General interest Oral/poster Special sessions: Online crystallography: Tools, apps and web services Keywords: online server, open science, molecular interactions, binding affinities, protein stability eSPC, an Online Data Analysis Platform for Molecular Biophysics EMBL, Hamburg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=706
|
12:45pm - 2:45pm | ECA-ECM: ECM programme committees Location: Club H Session Chair: Sylvain Ravy ECM programme committee meetings -Versaille,Padova |
| |
10:20am - 12:45pm | MS-44: Beyond pure point diffraction: Theory and application of diffuse scattering Location: Club H Session Chair: Nicolae Strungaru Session Chair: Uwe Grimm Invited: Chrizaldi Neil Manibo (Germany), Ella Mara Schmidt (Germany) |
|
10:20am - 10:25am
ID: 1775 / MS-44: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 276 / MS-44: 2 Bursary application Invited lecture to session MS: Beyond pure point diffraction: Theory and application of diffuse scattering Keywords: Mathematical diffraction, aperiodic tilings, absolutely continuous spectrum The mathematics of absolutely continuous diffraction Bielefeld University, Bielefeld, Germany Bibliography
1. M. Baake, F. Gaehler, N. Mañibo, Renormalisation of pair correlation measures for primitive inflation rules and absence of absolutely continuous diffraction, Commun. Math. Phys. 370 (2019) 591--635. 2. M. Baake, U. Grimm, N. Mañibo, Spectral analysis of a family of binary inflation rules, Lett. Math. Phys. 108 (2018) 1783-1805 3. N. Mañibo, Lyapunov exponents for binary substitutions of constant length, J. Math. Phys. 58 (2017) 113504 4. M. Baake, M. Coons, N. Mañibo, Binary substitutions of constant length and Mahler measures of Borwein polynomials, in From Analysis to Visualization, B. Sims, et.al. (eds.), in press, Springer (2020) External Resource: https://www.xray.cz/iucrv/vidp.asp?id=325
10:55am - 11:25am
ID: 401 / MS-44: 3 Bursary application Oral/poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering, Disordered materials: spectroscopic and scattering techniques Keywords: diffuse scattering, mean field theory Mean field theory calculations to model single crystal diffuse scattering University of Oxford, Oxford, United Kingdom Bibliography
2021 Hua, X., P.K., Gong, C., Chater, P.A., Schmidt, E. M. et al. Nature communications, 12: 1-11 2020 Berlinghof, M., Langner, S., Harreiß, C., Schmidt, E. M. et al. Zeitschrift für Kristallographie-Crystalline Materials, 235: 15-28. 2019 Schmidt, E. M. & Neder, R. B. Physical Review B 100: 054201 2017 Schmidt, E. & Neder, R. B. Acta Crystallographica, A 73: 231-237. 2017 Schiener, A., Schmidt, E., Bergmann, C., Seifert, S., Zahn, D., Krach, A. & Magerl, A. Zeitschrift für Kristallographie-Crystalline Materials 232: 39-46. 2016 Zobel, M., Windmüller, A., Schmidt, E. M., Götz, K., Milek, T., Zahn, D. & Neder, R. B. CrystEngComm 18: 2163-2172. 2016 Krüger, B., Schmidt, E. M. & Mecke, K. Journal of Statistical Physics 163: 514-543. 2015 Krüger, B., Schmidt, E. M. & Mecke, K. New Journal of Physics 17: 023013. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=326
11:25am - 11:45am
ID: 617 / MS-44: 4 Physics and fundamental crystallography Oral/poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering Posters only: Physical and fundamental crystallography (if it does not fit to any specific topics) Keywords: localized X-ray modes, Kossel line patterns, optical Kossel lines KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES Landau Institute for Theoretical Physics, Moscow, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=327
11:45am - 12:05pm
ID: 1210 / MS-44: 5 Physics and fundamental crystallography Oral/poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering Posters only: Physical and fundamental crystallography (if it does not fit to any specific topics) Keywords: 3DED, HAADF-STEM, material defects, correlated disorder, diffuse scattering Characterization of the correlated disorder in Ge2Bi4Te7 University of Antwerp, Wommelgem, Belgium External Resource: https://www.xray.cz/iucrv/vidp.asp?id=328
12:05pm - 12:25pm
ID: 1272 / MS-44: 6 Methods and instruments Oral/poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering Keywords: Single crystal diffuse scattering, disorder engineering, local structure, 3D-PDF Tuning of disordered local structure in Prussian Blue analogues ETH Zurich, Zurich, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=329
12:25pm - 12:45pm
ID: 754 / MS-44: 7 Physics and fundamental crystallography Oral/poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering Keywords: reverse Monte Carlo; nano-size effect; peak profile tabulation; finite resolution effect Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data Oak Ridge National Laboratory, Knoxville, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=330
|
12:45pm - 2:45pm | Meeting ECA2: ECA Council Meeting Location: Club H Session Chair: Udo Heinemann Session Chair: Arie van der Lee ECA council meeting 2 |
2:45pm - 5:10pm | MS-56: Analysis of the fine structure in electron diffraction data Location: Club H Session Chair: Tatiana Gorelik Session Chair: Xiaodong Zou Invited: Paul Voyles (USA), Cheuk-Wai Tai (Sweden) |
|
2:45pm - 2:50pm
ID: 1787 / MS-56: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1181 / MS-56: 2 All topics Invited lecture to session MS: Analysis of the fine structure in electron diffraction data Keywords: electron nanodiffraction; rotational symmetry; amorphous materials; direct electron camera Approximate Rotational Symmetries in Electron Nanodiffraction from Amorphous Materials University of Wisconsin-Madison, Madison, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=390
3:20pm - 3:50pm
ID: 1393 / MS-56: 3 Methods and instruments Invited lecture to session MS: Analysis of the fine structure in electron diffraction data Keywords: pair distribution function, electron diffraction, electron crystallography, TEM, disorder Local structure analysis by pair distribution function obtained from a TEM Stockholm University, Stockholm, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=391
3:50pm - 4:10pm
ID: 171 / MS-56: 4 All topics Oral/poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering, Total scattering, Analysis of the fine structure in electron diffraction data, Combination of X-ray and electrons for structure characterization, Application of electron crystallography to functional materials Keywords: 3D electron diffraction; diffuse scattering; lithium-ion batteries; stacking faults Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 1University of Antwerp, Department of Physics, Electron Microscopy for Materials Science (EMAT), Groenenborgerlaan 171, B-2020 Antwerp, Belgium; 2Friedrich-Alexander-Universität Erlangen-Nürnberg, Department of Physics, Institute of Condensed Matter Physics, Schloßplatz 4, 91054 Erlangen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=392
4:10pm - 4:30pm
ID: 664 / MS-56: 5 Bursary application Oral/poster MS: Analysis of the fine structure in electron diffraction data, Application of electron crystallography to functional materials Keywords: Three-dimensional electron diffraction, continuous rotation electron diffraction, high throughput structural analysis, metal-organic frameworks High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework Stockholm University, Stockholm, Sweden Bibliography
Paper I High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework for Electrocatalysis. Meng Ge, Yanzhi Wang, Francesco Carraro, Weibin Liang, Morteza Roostaeinia, Samira Siahrostami, Davide M. Proserpio, Christian Doonan, Paolo Falcaro, Haoquan Zheng, Xiaodong Zou and Zhehao Huang. Angew. Chem. Int. Ed. 10.1002/anie.202016882 Scientific contributions: I discovered a new ZIF phase from an existing sample and determined the structure using the cRED data. I acquired SEM images and wrote the major part of the manuscript. Paper II Advantages of Three-Dimensional Electron Diffraction on Structural Analysis of Metal-Organic Frameworks. Meng Ge, Xiaodong Zou and Zhehao Huang. Crystals 2021, 11, 263. doi: 10.3390/cryst11030263 Scientific contributions: I described the recent development of 3DED techniques with a focus on improving data qualities. I presented examples of both high resolution and low-resolution 3DED data. I wrote the manuscript. Paper III Can 3D Electron Diffraction Provide Accurate Atomic Structures of Metal-Organic Frameworks? Zhehao Huang, Meng Ge, Francesco Carraro, Christian Doonan, Paolo Falcaro and Xiaodong Zou. Faraday Discuss., 2020, doi: 10.1039/D0FD00015A Scientific contributions: I determined the structure using the cRED data and compared it with the structure determined by SCXRD. I prepared the figures and tables. Paper IV Phase Dependent Encapsulation and Release Profile of ZIF-Based Biocomposite Francesco Carraro, Miriam de J. Velásquez-Hernández , Efwita Astria, Weibin Liang, Liam Twight, Chiara Parise, Meng Ge, Zhehao Huang, Raffaele Riccò, Xiaodong Zou, Laura Villanova, C. Oliver Kappe, Christian Doonan and Paolo Falcaro. Chem. Sci. 2020, doi:10.1039/C9SC05433B Scientific contributions: I determined the ZIF structure using cRED data. I wrote the structure determination part in the manuscript. Paper V On the Completeness of Three-Dimensional Electron Diffraction Data for Structural Analysis of Metal-Organic Frameworks Meng Ge, Taimin Yang, Yanzhi Wang, Francesco Carraro, Weibin Liang, Christian Doonan, Paolo Falcaro, Haoquan Zheng, Xiaodong Zou and Zhehao Huang. Submitted to Faraday Discussions on February 19th, 2021 Scientific contributions: I collected, processed and analysed the cRED data. I wrote the manuscript. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=393
4:30pm - 4:50pm
ID: 898 / MS-56: 6 Methods and instruments Oral/poster MS: In-situ and time resolved electron crystallography, Analysis of the fine structure in electron diffraction data, Disordered materials: spectroscopic and scattering techniques, Application of electron crystallography to functional materials Keywords: Electron Pair Distribution Function, Electron Diffraction, 4D-STEM, Bulk Metallic Glass Scanning Nano-Structure Electron Microscopy - Hidden Potential for Evolving Systems 1Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, USA; 2Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD, USA; 3NanoMEGAS SPRL, Belgium; 4Department of Materials Science and Engineering, University of California Riverside, Riverside, CA, USA; 5Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=394
4:50pm - 5:10pm
ID: 117 / MS-56: 7 Methods and instruments Oral/poster MS: Recent advances in electron crystallography techniques, Analysis of the fine structure in electron diffraction data Keywords: Crystallographic Image Processing, Information Theory, Electron Crystallography Information theory based plane symmetry classifications: revealing pseudo-symmetries in the presence of noise Portland State University, PORTLAND, Oregon, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=395
|
| |
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
ID: 1795 / MS-64: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1228 / MS-64: 2 Methods and instruments Invited lecture to session MS: In-situ and time resolved electron crystallography Keywords: brownmillerite; TEM; 3D ED; in situ 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
ID: 889 / MS-64: 3 Methods and instruments Invited lecture to session MS: In-situ and time resolved electron crystallography Keywords: 4D ultrafast electron microscopy, dynamic TEM, automation, synchronization, radiation damage 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
ID: 476 / MS-64: 4 Bursary application Oral/poster MS: High pressure crystallography, Solid state reactions and dynamics, In-situ and time resolved electron crystallography Posters only: Structure and phase transitions in advanced materials, Methods, instrumentation (if it does not fit to any specific topics) Keywords: X-ray diffraction, time-resolved experiments, crystals under dynamic loads 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 Bibliography
1.X-ray acoustic diffractometry for the control of electronic components and materials. A.V. Targonsky, A.E. Blagov, Yu. V. Pisarevski, P.A. Prosekov, I.A. Eliovich, M.V. Kovalchuk. Fundamental problems of electronic instrumentation. 2013. Vol. 13. № 1. P. 32. 2.NEW OPPORTUNITIES OF X-RAY ACOUSTOOPTICS. A.E. Blagov, A.V. Targonsky, Yu. V. Pisarevski, P.A. Prosekov, I.A. Eliovich, M.V. Kovalchuk. Bulletin of the Russian Foundation for Basic Research. 2014. Vol 2 (82). P. 18. 3.Measurement of rocking curves of crystals using an acoustically tunable monochromator. A.E. Blagov, P.A. Prosekov, A.V. Targonskii, Ya.A. Eliovich. Crystallography Reports. 2015. Vol. 60. №2. P.167. 4.An electromechanical x-ray optical element based on a hysteresis-free monolithic bimorph crystal. A.E. Blagov, A.S. Bykov, I.V. Kubasov, M.D. Malinkovich, Yu.V. Pisarevskii, A.V. Targonskii, I.A. Eliovich, M.V. Kovalchuk. 2016. Vol. 59. №5. P.782. 5.Evolution of X-ray rocking curves for paratellurite and lithium fluoride crystals under intense ultrasound. A.E. Blagov, Yu.V. Pisarevskii, A.V. Targonskii, Ya.A. Eliovich, M.V. Koval’chuk. 2017. Physics of the Solid State. Vol. 59. №5. P.973. 6.Development of methods for ultrasonic scanning of X-ray wavelength. A.E. Blagov, Yu.V. Pisarevskii, P.A. Prosekov, A.V. Targonskii, Ya.A. Eliovich, A.I. Protsenko, M.V. Koval’chuk. 2017. Crystallography ReportsVol. 62. № 6. P.831. 7.Investigations of the Growth Processes of Bismuth-Germanate Crystals (Bi12GeO20) from the Melt using the X-Ray Diffraction Characteristics of Natural Lateral Faces. A.A. Mololkin, A.I. Protsenko, A.E. Blagov, A.V. Vinogradov, V.A. Lomonov, Yu.V. Pisarevskii, A.V. Targonskii, Ya.A Eliovich. Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques. 2018. Vol. 12. №1. P.69. 8.Rocking Curve Measurement for Deformed Crystals Using an Adaptive X-Ray Optical Bending Monochromator. I.A. Eliovich, V.I. Akkuratov, A.V. Targonskii, A.E. Blagov. Crystallography Reports. 2018. Vol. 63. №5. P.724. 9.Crystal growth and optical properties of Ca3TaGa3Si2O14 single crystals. O.A. Buzanov, N.S. Kozlova, A.P. Kozlova, E.V. Zabelina, A.E. Blagov, I.A. Eliovich, A.G. Kulikov, A.V. Targonskiy. Japanese Journal of Applied Physics. 2018. Vo. 57. 11UD08. 10.LiNbO3-based bimorph piezoactuator for fast X-ray experiments: Static and quasistatic modes. A. Kulikov, A. Blagov, N. Marchenkov, A. Targonsky, Ya. Eliovich, Yu. Pisarevsky, M. Kovalchuk. Sensors and Actuators A: Physical. 2019. Vol. 291. P.68. 11.LiNbO3-based bimorph piezoactuator for fast X-Ray experiments: Resonant mode. N. Marchenkov, A. Kulikov, A. Targonsky, Ya. Eliovich, Yu. Pisarevsky, A. Seregin, A. Blagov, M. Kovalchuk. Sensors and Actuators A: Physical. 2019. Vo. 293. P.48. 12.Multiple-Wave Interaction of X-Rays in a Paratellurite Crystal under Excitation of Ultrasonic Vibrations. Ya.A. Eliovich, A.V. Targonskii, A.N. Darinskii, P.A. Prosekov, Yu.V. Pisarevsky, A.E. Blagov, V.I. Akkuratov, V.A. Lomonov, V.R. Kocharyan, A.R. Mkrtchyan, M.V. Kovalchuk. Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques. 2019. Vol.13. №4. P.570 13.Distribution of Deformations in the Oscillating X-Ray Acoustic Element Based on the X-Cut Quartz Crystal. Journal of Contemporary Physics. A.R. Mkrtchyan, A.E. Blagov, V.R. Kocharyan, A.G. Kulikov, A.E. Movsisyan, T.R. Muradyan, A.V. Targonsky, Ya.A. Eliovich, A.N. Darinski, Yu.V. Pisarevski, M.V. Kovalchuk. 2019. Vol. 54. №2. P.210. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=452
11:50am - 12:15pm
ID: 824 / MS-64: 5 Methods and instruments Oral/poster MS: In-situ and time resolved electron crystallography Keywords: crystal discovery; solid-state precipitates; in situ transmission electron microscopy; atomistic simulations 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
ID: 727 / MS-64: 6 Bursary application Oral/poster MS: Dynamic frameworks, In-situ and time resolved electron crystallography, Application of electron crystallography to functional materials Posters only: Porous materials Keywords: ADPs, flexibility, MOFs, cRED Elucidation of Linker Motion in Metal-Organic Frameworks by Three-Dimensional Electron Diffraction 1stockholm university, stockholm, Sweden; 2University of Oslo, Oslo, Norway Bibliography
M. O. Cichocka, Z. Liang, D. Feng, S. Back, S. Siahrostami, X. Wang, L. Samperisi,Y. Sun,H. Xu,N. Hedin,H. Zheng, X.Zou, H.-C. Zhou, Z. Huang, J. Am. Chem. Soc. 2020, 142, 15386– 15395. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=454
|
1:00pm - 2:30pm | Meeting - Quantum: Commission on Quantum Crystallography Open Meeting Location: Club H Session Chair: Paulina Maria Dominiak |
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
ID: 1797 / MS-66: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 746 / MS-66: 2 Biological and macromolecular crystallography Invited lecture to session MS: Integrative structural biology: The next 50 years of the Protein Data Bank Keywords: crystallography, orphan receptor, ligand binding mode Crystal structure of the first orphan GPCR ShanghaiTech University, Shanghai, China, People's Republic of 3:20pm - 3:50pm
ID: 666 / MS-66: 3 Biological and macromolecular crystallography Invited lecture to session MS: Integrative structural biology: The next 50 years of the Protein Data Bank Keywords: structural biology, integrative structural biology, integrative structure modeling, integrative modeling, cell biology 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
ID: 1201 / MS-66: 4 Biological and macromolecular crystallography Oral/poster MS: Integrative structural biology: The next 50 years of the Protein Data Bank, Structural biology of eukaryotic immune systems, Structural biology of enzymes, mechanism and regulation Keywords: NADase, allostery, cryo-EM, crystallography, axon degeneration 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
ID: 730 / MS-66: 5 Bursary application Oral/poster MS: Integrative structural biology: The next 50 years of the Protein Data Bank, Structure guided drug design and antibiotic resistance targets, Structural biology of enzymes, mechanism and regulation Keywords: Cysteine Synthase Complex, Electron Microscopy, protein-protein interactions, knowledge-based modelling. 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 Bibliography
Semwal S., Boukherroub R., Savvides S., Bouckaert J. 'Natural antibodies: Protecting role of IgM in glioblastoma and brain tumours' submitted for peer-review to "Current Pharmaceutical Design(CPD)" on March 20, 2021. Robakiewicz, S., Bridot, C., Serna, S., Gimeno, A., Echeverria, B., Delgado, S., Ruyck, J., Semwal, S., Charro, D., Dansercoer, A., Verstraete, K., Azkargorta, M., Noort, K. V., Wilbers, R., Savvides S., Abrescia N. G. A., Arda, Reichardt, N. C., Jiménez-Barbero, J., and Bouckaert, J. 'Minimal epitope for Mannitou IgM on paucimannose-carrying glycoproteins' submitted and accepted in "Glycobiology" on March 30, 2021 Semwal, S., and Gupta, V. (2020) in International Conference on Advances in Biosciences and Biotechnology — ICABB 2020 p. 141, Research Reports, Noida [online] https://companyofscientists.com/index.php/rr/article/view/170/183 (Accessed April 4, 2021). External Resource: https://www.xray.cz/iucrv/vidp.asp?id=463
4:30pm - 4:50pm
ID: 1331 / MS-66: 6 Biological and macromolecular crystallography Oral/poster MS: Structural bioinformatics, Integrative structural biology: The next 50 years of the Protein Data Bank, Structural biology of receptors, signaling and membrane proteins, Structural biology of enzymes, mechanism and regulation, Protein design and engineering Special sessions: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving, Introduction to machine learning Posters only: Hot structures of biological importance, Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: X-ray crystallography, arsenic, interprotein electron transfer complex. 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
ID: 1268 / MS-66: 7 Biological and macromolecular crystallography Oral/poster MS: Integrative structural biology: The next 50 years of the Protein Data Bank, Structural biology of enzymes, mechanism and regulation Keywords: α-L-Fucosidase, GH151, glycosyl hydrolase, crystal structure, active site complementation 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
|
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 |
| |
10:20am - 12:45pm | MS-78: Science meets art: X-ray spectrometry and X-ray diffraction in art and archaeology Location: Club H Session Chair: Gilberto Artioli Session Chair: Sebastian Bette Invited: Katrien Keune (Netherlands), Christoph Berthold (Germany) |
|
10:20am - 10:25am
ID: 1809 / MS-78: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1485 / MS-78: 2 Materials and minerals Invited lecture to session MS: X-ray spectrometry and X-ray diffraction in art and archaeology Keywords: painting, cultural heritage, imaging, X-ray powder diffraction, synchrotron Operation Night Watch: macro- and microscale X-ray imaging studies on the Rembrandts’ masterpiece The Night Watch in the Rijksmuseum. 1Rijksmuseum, Amsterdam, Netherlands, The; 2AXES Research Group, NANOLab Centre of Excellence, University of Antwerp, Belgium, External Resource: https://www.xray.cz/iucrv/vidp.asp?id=541
10:55am - 11:25am
ID: 1620 / MS-78: 3 Methods and instruments Invited lecture to session MS: X-ray spectrometry and X-ray diffraction in art and archaeology Keywords: Microdiffraction, Spectroscopy, Archaeometry, Microanalysis X-ray Microdiffraction of Cultural Heritage: Potentials und Limitations University of Tuebingen, CCA-BW, Tübingen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=542
11:25am - 11:45am
ID: 1045 / MS-78: 4 All topics Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology Keywords: metal carboxylates, pigment-binder interactions, paintings, XRPD XRPD as a tool for the study of pigment-binder interactions: from metal formates to long-chain carboxylates 1Institute of Inorganic chemistry of the Czech Academy of Sciences, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; 2Institute of Macromolecular Chemistry of the Czech Academy of Sciences, Heyrovského nám. 2, 162 06, Praha 6, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=543
11:45am - 12:05pm
ID: 623 / MS-78: 5 Bursary application Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, Nanocrystalline materials Keywords: X-ray diffraction; forensic science; fleshed bone; crystallographic parameters Effects of soft tissue on the crystallographic changes to bone mineral upon heating Keele University, Liverpool, United Kingdom Bibliography
No current publications External Resource: https://www.xray.cz/iucrv/vidp.asp?id=544
12:05pm - 12:25pm
ID: 789 / MS-78: 6 All topics Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, Science meets art: Crystallography and cultural heritage Keywords: multidisciplinary study; synchrotron radiation; roman ink A multidisciplinary study unveils the nature of a Roman ink of the I century AD 1CERIC-ERIC, Basovizza, Trieste, Italy; 2Elettra Sincrotrone Trieste S.C.p.A, Basovizza, Trieste, Italy; 3Nuclear Science and Instrumentation Laboratory, Physics section, IAEA, Seibersdorf, Austria; 4Department of Engineering and Architecture, University of Trieste, Trieste, Italy; 5Department of Chemical and Pharmaceutical Sciences, University of Trieste, Trieste, Italy; 6Museo Nazionale Atestino, Este, Padova, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=545
12:25pm - 12:45pm
ID: 841 / MS-78: 7 General interest Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Transmission Electron Microscopy, EDT, Ancient artefact, Corrosion, Conservation A new tool for ancient artefact conservation studies: Electron Diffraction Tomography to study blue corrosion product in Chinese Bronze sample 1NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, 1050, Brussels, Belgium; 2Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, 56127, Pisa, Italy; 3Institute of Cultural Heritage, Shandong University, 72 Jimo Binhailu, Qingdao 266237, China External Resource: https://www.xray.cz/iucrv/vidp.asp?id=546
|
1:00pm - 2:30pm | ECA - SIG-2: ECA - SIG-2 Quantum Crystallography Location: Club H |
2:45pm - 5:10pm | MS-85: Science meets art: Crystallography and cultural heritage Location: Club H Session Chair: Alicja Rafalska-Lasocha Session Chair: Petr Bezdicka Invited: Koen Janssens (Belgium), Sebastian Bette (Germany) |
|
2:45pm - 2:50pm
ID: 1815 / MS-85: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1423 / MS-85: 2 General interest Invited lecture to session MS: Science meets art: Crystallography and cultural heritage Keywords: X-ray powder diffraction, natural ultramarine, accessory minerals, paintings, pigments Fingerprinting Natural Ultramarine in 15th-17th century Netherlandish paintings 1University of Antwerp, Antwerp, Belgium; 2Royal Institute for Cultural Heritage, Brussels, Belgium; 3Fine Arts Museum, Brussels, Belgium; 4Rijksmuseum, Amsterdam, The Netherlands External Resource: https://www.xray.cz/iucrv/vidp.asp?id=581
3:20pm - 3:50pm
ID: 579 / MS-85: 3 All topics Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Calcium, Carboxalate ligands, Structure elucidation, X-ray diffraction, Helical structures The variety of calcium bearing efflorescence phases - An explanation by crystal chemistry 1Max-Planck-Institute for Solid State Research, Stuttgart, Germany; 2State Academy of Art and Design, Stuttgart, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=582
3:50pm - 4:10pm
ID: 1183 / MS-85: 4 General interest Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: heptagonal symmetry, art, architecture, design Why is heptagonal symmetry so rare in art and architecture? Institut Européen des Membranes, Université de Montpellier, ENSCM, CNRS, Montpellier, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=583
4:10pm - 4:30pm
ID: 386 / MS-85: 5 All topics Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Keywords: three-shell cluster; single crystal; intermetallic compound; lithium; magnesium Crystallography vs. human masterpiece: Li20Mg6Cu13Al42, Mg9Ni6Ga14 and Mg3Ni2Ga structures vs. ivory puzzle balls 1Ivan Franko National University of Lviv, Lviv, Ukraine; 2Częstochowa Jan Długosz University, Częstochowa, Poland; 3Karlsruhe Institute of Technology, Karlsruhe, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=584
4:30pm - 4:50pm
ID: 116 / MS-85: 6 General interest Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Crystallographic Image Processing, Information Theory Information theory based symmetry classifications of more or less 2D periodic patterns in Islamic building ornaments and Hans Hinterreiter’s graphic art Portland State University, PORTLAND, Oregon, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=585
4:50pm - 5:10pm
ID: 1053 / MS-85: 7 All topics Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: X-ray diffraction, X-ray microdiffraction, non-invasive analysis, miniature painting, metal soaps Laboratory X-ray powder diffraction as a useful tool for identification of pigments and degradation products in portrait miniatures painted on ivory 1Institute of Inorganic chemistry of the Czech Academy of Sciences, ALMA Laboratory, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; 2Academy of Fine Arts in Prague, ALMA Laboratory, Veletržní 65, 170 00 Praha 7, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=586
|
| |
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
ID: 1826 / MS-96: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1178 / MS-96: 2 General interest Invited lecture to session MS: Crystallography schools to promote interdisciplinarity in science Keywords: Teaching of Crystallography; Outreach; Latin America 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
ID: 1124 / MS-96: 3 General interest Invited lecture to session MS: Crystallography schools to promote interdisciplinarity in science Keywords: X-TechLab, X-ray techniques, education, multidisciplinary 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
ID: 856 / MS-96: 4 General interest Oral/poster MS: Crystallography schools to promote interdisciplinarity in science, Social media and new frontiers for spreading crystallographic Keywords: crystallography schools; education; crystallography outreach; interdisciplinary science; social media; 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
ID: 953 / MS-96: 5 General interest Oral/poster MS: Crystallography schools to promote interdisciplinarity in science Keywords: teaching; symmetry; Latin America; LACA 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
ID: 884 / MS-96: 6 General interest Oral/poster MS: Crystallography schools to promote interdisciplinarity in science Keywords: crystallography education, pandemic remote instruction, instructional resource requirements 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
ID: 1570 / MS-96: 7 General interest Oral/poster MS: Crystallography schools to promote interdisciplinarity in science Keywords: Education, interdisciplinarity, CSD, Data, Training 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
|