Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 6th Dec 2022, 01:30:47am CET

 
Filter by Area or Type of Session 
Only Sessions at Location/Venue 
 
 
Session Overview
Location: Club H
100 1st floor
Date: Saturday, 14/Aug/2021
2:00pm - 5:00pmSchool - Electron 4: Electron Crystallography School
Location: Club H
Session Chair: Xiaodong Zou
Session Chair: Louisa Meshi
Session Chair: Lukáš Palatinus
Date: Sunday, 15/Aug/2021
10:20am - 12:45pmMS-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

Introduction to session

John Richard Helliwell, Selina Lea Sophie Storm



10:25am - 10:55am

Next-generation Automation and Remote-access Crystallography

Aina Cohen

Stanford Synchrotron Radiation Lightsource (SSRL) and Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, Stanford University, Menlo Park, United States of America



10:55am - 11:25am

Strength in Numbers: Exploiting the space between single crystal oscillation and serial femtosecond crystallography

Danny Axford, Sam Horrell, Robin Leslie Owen

Diamond Light Source, Harwell Oxford, Didcot, OX11 0DE, United Kingdom



11:25am - 11:45am

Towards High-Throughput Autonomous Infrared Spectromicroscopy

Petrus Zwart, Liang Chen, Marcus Noack, Steven Lee, Patricia Valdespino Castillo, Hoi-Ying Holman

LBNL, Berkeley, United States of America



11:45am - 12:05pm

Strategy in the age of 360° sweeps

Andreas Förster, Marcus Müller, Clemens Schulze-Briese

DECTRIS, Baden-Dättwil, Switzerland



12:05pm - 12:25pm

Exploring the mechanism of elastically flexible crystals by automatic analysis

Amy Jayne Thompson1, Jason Price2, Kate Smith2, Jack Clegg1

1The University of Queensland, St Lucia, QLD, Australia; 2The Australian Synchrotron, Clayton, VIC, Australia



Finding the optimal resolution cutoff with PAIREF

Martin Malý1,2, Kay Diederichs3, Jan Stránský2, Kristýna Adámková2,4, Tereza Skálová2, Jan Dohnálek2, Petr Kolenko1,2

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

 
2:45pm - 5:10pmMS-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

Introduction to session

Anna Maria Makal, Chérif F. Matta



2:50pm - 3:20pm

Beyond multipolar pseudoatom transferability: accounting for intermolecular polarization effects in protein-ligand complexes.

Theo Leduc, Christian Jelsch, Benoit Guillot

Université de Lorraine, CNRS, CRM2, F-54000 Nancy, France



3:20pm - 3:50pm

Using advanced X-ray and neutron diffraction techniques in single molecule magnets research

Jacob Overgaard1, Emil Damgaard-Møller1, Lennard Krause1, Iurii Kibalin2, Emil Andreasen Klahn1

1Department of Chemistry, Aarhus University, Aarhus C, Denmark; 2LLB, CEA, CE de Saclay, Gif sur Yvette, 91191, France



3:50pm - 4:10pm

Use of transferrable multipoles to extend the range of X-ray charge density study to variable-temperature and high pressure

Krešimir Molčanov1, Valentina Milašinović1, Anna Krawczuk2, Nikita Bogdanov3, Boris Zahkarov3, Elena Boldyreva3, Christian Jelsch4

1Rudjer Bošković Institute, Zagreb, Croatia; 2Jagiellonian University, Krakow, Poland; 3Novosibirsk State University, Novosibirsk, Russian Federation; 4Universite de Lorraine, Nancy, France



4:10pm - 4:30pm

NCI-ELMO: towards a more quantitative description of non-covalent interactions in macromolecules

Erna Katharina Wieduwilt1, Rubén Laplaza2, Giovanni Macetti1, David Arias-Olivares2, Francesca Peccati2, Julia Contreras-García2, Alessandro Genoni1

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



4:30pm - 4:50pm

Organic eutectics: characterization, microstructural evolution, and properties.

Titas Pramanik1, Ashish Anand1, Janaky Sunil2, Anjana Joseph2, Chandrabhas Narayana2, Somnath Dutta3, Tayur N. Guru Row1

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.



4:50pm - 5:10pm

Strength and nature of host-guest interactions in metal-organic frameworks from a quantum chemical perspective

Michelle Ernst1,2, Ganna Gryn'ova1,2

1Heidelberg Institute for Theoretical Studies (HITS gGmbH), 69118 Heidelberg, Germany; 2Interdisciplinary Center for Scientific Computing, Heidelberg University, 69120 Heidelberg, Germany

 
7:15pm - 10:15pmIUCr: IUCr assembly
Location: Club H
Session Chair: Sven Lidin
Session Chair: Alex Ashcroft
Session Chair: Luc Van Meervelt

IUCr assembly 1

Date: Monday, 16/Aug/2021
10:20am - 12:45pmMS-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

Introduction to session

Olivier C. Gagné, Anton Oliynyk



10:25am - 10:55am

Unsupervised Knowledge Discovery in ‘Big’ Materials Data

Wenhao Sun

University of Michigan, Ann Arbor, United States of America



10:55am - 11:25am

Predicting ground state and metastable crystal structures using elemental and phonon mode

Aria Mansouri Tehrani, Bastien F. Grosso, Ramon Frey, Nicola A. Spaldin

ETH Zurich, Zurich, Switzerland



11:25am - 11:45am

Beyond the constraints of chemistry: Crystal structure discovery in particle simulations

Julia Dshemuchadse1,2, Pablo F. Damasceno1,3, Carolyn L. Phillips4, Sharon C. Glotzer1, Michael Engel1,5

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



11:45am - 12:05pm

Data-driven approaches on pair distribution function data: matrix factorization and clustering

Shuyan Zhang, Jie Gong, B. Reeja Jayan, Alan J. H. McGaughey

Carnegie Mellon University, Pittsburgh, United States of America



12:05pm - 12:25pm

First-principle diffraction simulations as a tool to solve the nanodiffraction problem

Hande Öztürk1, I. Cevdet Noyan2

1Ozyegin University, Istanbul, TURKEY; 2Columbia University, New York, USA



12:25pm - 12:45pm

Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database

Milan Milovanović1, Jelena Živković1, Dragan Ninković1, Jelena Blagojević Filipović1, Dubravka Vojislavljević–Vasilev1, Ivana Veljković2, Ivana Stanković2, Dušan Malenov3, Vesna Medaković3, Dušan Veljković3, Snežana Zarić3

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 - 2:45pmMeeting ECA1: ECA Council Meeting
Location: Club H
Session Chair: Udo Heinemann
Session Chair: Arie van der Lee

ECA council meeting 1

2:45pm - 5:10pmMS-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

Introduction to session

Virginie Simonet, Václav Petříček



2:50pm - 3:20pm

IInvestigating the nature of the magnetoelectric coupling in molecular (ND4)2[FeCl5(D2O)] via neutron scattering studies

W. Tian, R. S. Fishman, H. B. Cao, G. Sala, D. M. Pajerowski, V. O. Garlea, T. Hong, L. L. Daemen, Y. Q. Cheng, J. A. Fernandez-Baca

Oak Ridge National Laboratory, Oak Ridge, United States of America



3:20pm - 3:50pm

Multi-k magnetic phases and topological charges in the candidate Weyl semimetal CeAlGe

Jonathan White

Paul Scherrer Institute, Villigen, Switzerland



3:50pm - 4:10pm

Novel incommensurate magnetic phase in the magnetoelectric Sr-doped cobaltate CaBaCo4O7

Javier H. Lohr1, Ana L. Larralde2, Javier Curiale3,4, Rodolfo D. Sánchez3,4, Javier Campo5, Gabriel J. Cuello6, Denis Sheptyakov7, Lukas Keller7, Michel Kenzelmann7, Gabriela Aurelio8

1Comisión Nacional de Energía Atómica–Laboratorio Argentino de Haces de Neutrones, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 2Laboratorio de Cristalografía Aplicada, Escuela de Ciencia y Tecnología, Universidad Nacional de San Martín, Martín de Irigoyen 3100, Campus Miguelete, San Martín (1650), Buenos Aires, Argentin; 3Instituto de Nanociencia y Nanotecnología CNEA-CONICET, Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 4Instituto Balseiro, Universidad Nacional de Cuyo - Comisión Nacional de Energía Atómica, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina; 5Instituto de Ciencia de Materiales de Aragón (CSIC - Universidad de Zaragoza) and Departamento de Física de Materia Condensada, Universidad de Zaragoza. C/Pedro Cerbuna 12, E-50009 Zaragoza, Spain; 6Institut Laue Langevin. 71, Av des Martyrs, BP 156 F-38042 Grenoble, France; 7Laboratory for Neutron Scattering and Imaging, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland; 8Comisión Nacional de Energa Atómica and CONICETLaboratorio Argentino de Haces de Neutrones. Centro Atómico Bariloche, Av. Bustillo 9500 R8402AGP, S. C. de Bariloche, Argentina



4:10pm - 4:30pm

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

Nikolina Penić, Damir Pajić, Marijana Đaković

FACULTY OF SCIENCE, UNIVERSITY OF ZAGREB, Zagreb, Croatia



4:30pm - 4:50pm

Structural phase transition and magnetic phase diagram of the lacunar spinel GaMo4Se8

Praveen Vir1, Kieran Routledge2, Nicholas Cook2, Philip A. E. Murgatroyd2, Sheikh J. Ahmed3, Stanislav N. Savvin1, John B. Claridge3, Jonathan Alaria2

1Diffraction group, Institut Laue-Langevin (ILL) Grenoble, France; 2Department of Physics, University of Liverpool, United Kingdom; 3Department of Chemistry, University of Liverpool, United Kingdom



4:50pm - 5:10pm

Neutron powder diffraction studies of magnetic transitions in Fe-based orthorhombic perovskites

Juan Pablo Bolletta1, Antoine Maignan1, Christine Martin1, Raúl Ernesto Carbonio2

1CRISMAT, Normandie Univ, ENSICAEN, UNICAEN, CNRS, Caen, France; 2INFIQC, CONICET-UNC, Córdoba, Argentina

 
7:15pm - 10:15pmIUCr-2: IUCr assembly
Location: Club H
Session Chair: Sven Lidin
Session Chair: Luc Van Meervelt
Session Chair: Alex Ashcroft

IUCr assembly 2

Date: Tuesday, 17/Aug/2021
10:20am - 12:45pmSMS-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

Introduction to session

Eugene Krissinel, Christian Bertram Hübschle



10:25am - 10:55am

Symmetry database of International Tables online

Eli Kroumova1, Gemma de la Flor Martin2, Nicola J. Ashcroft3, Mois Ilia Aroyo4

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)



10:55am - 11:25am

Macromolecular Model Building Over the Web

Victor S. Lamzin, Egor Sobolev, Philipp Heuser

EMBL, Hamburg, Germany



11:25am - 11:45am

Live monitoring onsite, remote and unattended data collection on synchrotron MX beamlines

David Aragao, Elliot Nelson

Diamond Light Source, Harwell Science and Innovation Campus, Chilton, Didcot, OX11 0DE, UK



11:45am - 12:05pm

Introduction to invariant-based machine learning for periodic crystals

Vitaliy Kurlin, Jakob Ropers, Marco M Mosca, Olga Anosova

University of Liverpool, Liverpool, United Kingdom



12:05pm - 12:25pm

Solving Macromolecular Structures Online with CCP4

Ville Uski, Eugene Krissinel, Charles Ballard, Andrey Lebedev, Ronan Keegan

Science and Technology Facilities Council, Didcot, United Kingdom



12:25pm - 12:45pm

eSPC, an Online Data Analysis Platform for Molecular Biophysics

Maria m. Garcia Alai

EMBL, Hamburg, Germany

 
12:45pm - 2:45pmECA-ECM: ECM programme committees
Location: Club H
Session Chair: Sylvain Ravy

ECM programme committee meetings -Versaille,Padova

Date: Wednesday, 18/Aug/2021
10:20am - 12:45pmMS-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

Introduction to session

Nicolae Strungaru, Uwe Grimm



10:25am - 10:55am

The mathematics of absolutely continuous diffraction

Chrizaldy Neil Manibo

Bielefeld University, Bielefeld, Germany



10:55am - 11:25am

Mean field theory calculations to model single crystal diffuse scattering

Ella Mara Schmidt, Johnathan Bulled, Andrew Goodwin

University of Oxford, Oxford, United Kingdom



11:25am - 11:45am

KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES

Vladimir Alekseevich Belyakov

Landau Institute for Theoretical Physics, Moscow, Russian Federation



11:45am - 12:05pm

Characterization of the correlated disorder in Ge2Bi4Te7

Matthias Quintelier, Stefano Canossa, Mylène Hendrickx, Romy Poppe, Joke Hadermann

University of Antwerp, Wommelgem, Belgium



12:05pm - 12:25pm

Tuning of disordered local structure in Prussian Blue analogues

Yevheniia Kholina, Arkadiy Simonov

ETH Zurich, Zurich, Switzerland



12:25pm - 12:45pm

Implementation for coping with sample and instrument effects for reverse Monte Carlo modelling of total scattering data

Yuanpeng Zhang

Oak Ridge National Laboratory, Knoxville, United States of America

 
12:45pm - 2:45pmMeeting ECA2: ECA Council Meeting
Location: Club H
Session Chair: Udo Heinemann
Session Chair: Arie van der Lee

ECA council meeting 2

2:45pm - 5:10pmMS-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

Introduction to session

Tatiana Gorelik, Xiadong Zhu



2:50pm - 3:20pm

Approximate Rotational Symmetries in Electron Nanodiffraction from Amorphous Materials

Shuoyuan Huang, Carter Frances, Paul Voyles

University of Wisconsin-Madison, Madison, United States of America



3:20pm - 3:50pm

Local structure analysis by pair distribution function obtained from a TEM

Cheuk-Wai Tai

Stockholm University, Stockholm, Sweden



3:50pm - 4:10pm

Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2

Romy Poppe1, Daphne Vandemeulebroucke1, Reinhard B. Neder2, Joke Hadermann1

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



4:10pm - 4:30pm

High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework

Meng Ge, Zhehao Huang, Xiaodong Zou

Stockholm University, Stockholm, Sweden



4:30pm - 4:50pm

Scanning Nano-Structure Electron Microscopy - Hidden Potential for Evolving Systems

Yevgeny Rakita1,2, James L. Hart2, Partha Pratim Das3, Stavros Nicolopoulos3, Sina Shahrezaei4, Suveen Nigel Mathaudhu4, Mitra L. Taheri2, Simon J. L. Billinge1,5

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



4:50pm - 5:10pm

Information theory based plane symmetry classifications: revealing pseudo-symmetries in the presence of noise

Peter Moeck

Portland State University, PORTLAND, Oregon, USA

 
Date: Thursday, 19/Aug/2021
10:20am - 12:45pmMS-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

Andrew Alexander Stewart, Eva Olsson



10:25am - 10:55am

Following structure evolution of SrFeOx in redox reactions using in situ 3D electron diffraction

Maria Batuk, Daphne Vandemeulebroucke, Joke Hadermann

EMAT, University of Antwerp, Antwerp, Belgium



10:55am - 11:25am

Time-resolved TEM beyond fast detectors

David J. Flannigan, Jialiang Chen, Wyatt Curtis, Daniel X. Du, Paige E. Engen, Elisah J. VandenBussche, Yichao Zhang

Department of Chemical Engineering and Materials Science, University of Minnesota, 421 Washington Avenue SE, Minneapolis, Minnesota 55455, United States of America



11:25am - 11:50am

Time resolved x-ray diffraction studies of prospective crystalline materials under dynamic ultrasonic loads

Yan Eliovich1,2, Anton Targonskiy1,2, Alexander Blagov1,2, Yuri Pisarevsky1,2, Valentin Akkuratov1,2, Andrei Protsenko1,2, Michail Kovalchuk1,2

1FSRC “Crystallography and photonics” RAS, Moscow, Russian Federation; 2NRC "Kurchatov Institute", Moscow, Russian Federation



11:50am - 12:15pm

Discovering and transforming precipitate phases in aluminium alloys using in situ transmission electron microscopy

Laure Bourgeois1,2, Zezhong Zhang3,4, Yong Zhang2, Xiaofen Tan2, Yiqiang Chen5, Matthew Weyland1,2, Philip N.H. Nakashima2, Nikhil V. Medhekar2

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



12:15pm - 12:40pm

Elucidation of Linker Motion in Metal-Organic Frameworks by Three-Dimensional Electron Diffraction

Laura Samperisi1, Aleksander Jaworski1, Gurpreet Kaur1, Karl P. Lillerud2, Xiaodong Zou1, Zhehao Huang1

1stockholm university, stockholm, Sweden; 2University of Oslo, Oslo, Norway

 
1:00pm - 2:30pmMeeting - Quantum: Commission on Quantum Crystallography Open Meeting
Location: Club H
Session Chair: Paulina Maria Dominiak
2:45pm - 5:10pmMS-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

Stephen K. Burley, Dina Schneidman



2:50pm - 3:20pm

Crystal structure of the first orphan GPCR

Fei Xu

ShanghaiTech University, Shanghai, China, People's Republic of



3:20pm - 3:50pm

From integrative structural biology to cell biology

Andrej Sali

University of California, San Francisco, San Francisco, United States of America



3:50pm - 4:10pm

Crystal and Cryo-EM structures provide insight into how pro-neurodegenerative SARM1 is activated and cleave NAD+.

Thomas Ve1, Weixi Gu2, Jeffrey D. Nanson2, Yun Shi2, Katie Cunnea3, Philip S. Kerry3, Todd Bosanac4, Robert O. Hughes4, Bostjan Kobe2

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



4:10pm - 4:30pm

Structural studies of Cysteine Synthase Complex obtained from Klebsiella pneumoniae.

Shubham Semwal1, Deepansh Mody2, Vibha Gupta2, Julie Bouckaert1

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



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.

Nilakhi Poddar1, Joanne M Santini2, Megan J Maher1,3

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



4:50pm - 5:10pm

Structural evidence for active site complementation and diverse oligomerization in two bacterial α-L-Fucosidases from the same organism

Jan Dohnálek1, Terézia Kovaľová1,2, Tomáš Kovaľ1, Jan Stránský1, Petr Kolenko1, Jarmila Dušková1, Patricie Vodičková2, Vojtěch Spiwok2, Eva Benešová2, Petra Lipovová2

1Institute of Biotechnology of the Czech Academy of Sciences, 25250 Vestec, Czech Republic; 2University of Chemistry and Technology, 166 28 Prague, Czech Republic

 
7:50pm - 10:15pmIUCr-3: IUCr assembly
Location: Club H
Session Chair: Sven Lidin
Session Chair: Luc Van Meervelt
Session Chair: Alex Ashcroft

IUCr assembly 3

Date: Friday, 20/Aug/2021
10:20am - 12:45pmMS-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

Introduction to session

Gilberto Artioli, Sebastian Bette



10:25am - 10:55am

Operation Night Watch: macro- and microscale X-ray imaging studies on the Rembrandts’ masterpiece The Night Watch in the Rijksmuseum.

Katrien Keune1, Victor Gonzalez1, Annelies Loon1, Frederique Broers1, Nouchka Keyser de1, Petria Noble1, Frederik VanMeert2, Steven DeMeyer2, Koen Janssens2

1Rijksmuseum, Amsterdam, Netherlands, The; 2AXES Research Group, NANOLab Centre of Excellence, University of Antwerp, Belgium,



10:55am - 11:25am

X-ray Microdiffraction of Cultural Heritage: Potentials und Limitations

Christoph Berthold

University of Tuebingen, CCA-BW, Tübingen, Germany



11:25am - 11:45am

XRPD as a tool for the study of pigment-binder interactions: from metal formates to long-chain carboxylates

Silvie Švarcová1, Eva Kočí1, Petr Bezdička1, Silvia Garrappa1, Jiří Plocek1, Ruslan Barranikov1, Libor Kobera2

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



11:45am - 12:05pm

Effects of soft tissue on the crystallographic changes to bone mineral upon heating

Hannah Louise Cross, Charlene Elizabeth Greenwood

Keele University, Liverpool, United Kingdom



12:05pm - 12:25pm

A multidisciplinary study unveils the nature of a Roman ink of the I century AD

Chiaramaria Stani1, Lara Gigli2, Simone Pollastri2, Mirta Sibilia3, Alessandro Migliori3, Francesco D’Amico2, Chiara Schmid4, Sabina Licen5, Matteo Crosera5, Gianpiero Adami5, Pierluigi Barbieri5, Jasper R. Plaisier2, Giuliana Aquilanti2, Lisa Vaccari2, Stefano Buson6, Federica Gonzato6

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



12:25pm - 12:45pm

A new tool for ancient artefact conservation studies: Electron Diffraction Tomography to study blue corrosion product in Chinese Bronze sample

Partha Pratim Das1, Enrico Mugnaioli2, Quanyu Wang3, Stavros Nicolopoulos1, Mauro Gemmi2

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

 
1:00pm - 2:30pmECA - SIG-2: ECA - SIG-2 Quantum Crystallography
Location: Club H
2:45pm - 5:10pmMS-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

Introduction to session

Alicja Rafalska-Lasocha, Petr Bezdička



2:50pm - 3:20pm

Fingerprinting Natural Ultramarine in 15th-17th century Netherlandish paintings

Koen Henri JANSSENS1,4, Steven De Meyer1, Stijn Legrand1, Frederik Vanmeert1,2, Veronique Buecken3, Annelies van Loon4, Katrien Keune4

1University of Antwerp, Antwerp, Belgium; 2Royal Institute for Cultural Heritage, Brussels, Belgium; 3Fine Arts Museum, Brussels, Belgium; 4Rijksmuseum, Amsterdam, The Netherlands



3:20pm - 3:50pm

The variety of calcium bearing efflorescence phases - An explanation by crystal chemistry

Sebastian Bette1,2, Gerhard Eggert2, Robert E. Dinnebier1

1Max-Planck-Institute for Solid State Research, Stuttgart, Germany; 2State Academy of Art and Design, Stuttgart, Germany



3:50pm - 4:10pm

Why is heptagonal symmetry so rare in art and architecture?

Arie van der Lee

Institut Européen des Membranes, Université de Montpellier, ENSCM, CNRS, Montpellier, France



4:10pm - 4:30pm

Crystallography vs. human masterpiece: Li20Mg6Cu13Al42, Mg9Ni6Ga14 and Mg3Ni2Ga structures vs. ivory puzzle balls

Grygoriy Dmytriv1, Nazar Pavlyuk1, Volodymyr Pavlyuk1,2, Helmut Ehrenberg3

1Ivan Franko National University of Lviv, Lviv, Ukraine; 2Częstochowa Jan Długosz University, Częstochowa, Poland; 3Karlsruhe Institute of Technology, Karlsruhe, Germany



4:30pm - 4:50pm

Information theory based symmetry classifications of more or less 2D periodic patterns in Islamic building ornaments and Hans Hinterreiter’s graphic art

Peter Moeck

Portland State University, PORTLAND, Oregon, USA



4:50pm - 5:10pm

Laboratory X-ray powder diffraction as a useful tool for identification of pigments and degradation products in portrait miniatures painted on ivory

Eva Kočí1, Petr Bezdička1, Silvia Garrappa1, David Hradil1, Janka Hradilová2, Michal Pech2

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

 
Date: Saturday, 21/Aug/2021
10:20am - 12:45pmMS-96: Crystallography schools to promote interdisciplinarity in science
Location: Club H
Session Chair: Alice Brink
Session Chair: Serena Chiara Tarantino

Invited: Diego German Lamas (Argentina)Marielle Yasmine  Agbahoungbata (Benin)

 
10:20am - 10:25am

Introduction to session

Alice Brink, Serena Chiara Tarantino



10:25am - 10:55am

Crystallography schools and other educational activities in Latin America during the COVID-19 pandemic

Diego Germán Lamas

ITECA, UNSAM-CONICET, ECyT, Laboratorio de Cristalografía Aplicada, San Martín, Pcia. de Buenos Aires, Argentina



10:55am - 11:25am

X-TechLab training sessions in Benin: towards borderless science education

Marielle Yasmine AGBAHOUNGBATA1, Sourou Albert Sidoine BONOU1, Thierry d'ALMEIDA1,2, Michele ZEMA3, Sekazi MTINGWA4, Claude BORNA1

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



11:25am - 11:45am

Crystallographic education in real and reciprocal spacechromechrome

Dubravka Sisak Jung

DECTRIS, Baden-Daettwil, Switzerland



11:45am - 12:05pm

Teaching crystallographic symmetry in Latin America. A 10-year review and perspectives.

Leopoldo Suescun

Facultad de Química, Universidad de la República, Montevideo, Uruguay



12:05pm - 12:25pm

High impact crystallography skills development through local undergraduate curriculum and regional workshops and schools

Louise Nicole Dawe

Wilfrid Laurier University, Waterloo, Canada



12:25pm - 12:45pm

Crystallography for all – Using the CSD to help promote interdisciplinarity in science

Suzanna Ward, Ilaria Gimondi

The Cambridge Crystallographic Data Centre (CCDC), Cambridge, United Kingdom

 

 
Contact and Legal Notice · Contact Address:
Privacy Statement · Conference: IUCr 2021 | August 14 - 22, 2021 | Prague, Czech Republic
Conference Software - ConfTool Pro 2.8.97+TC+CC
© 2001–2022 by Dr. H. Weinreich, Hamburg, Germany