MicroED: conception, practice and future opportunities

Tamir Gonen

HHMI/UCLA, Los Angeles, United States of America

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In-situ and In-operando diffraction Studies of Li Ion Battery Electrodes

Gwenaelle ROUSSE

Sorbonne Université - Collège de France, PARIS cedex 5, France

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Electron density, and its interplay with the energy and properties of molecules and solids

Julia Contreras-García

Sorbonne Université-CNRS, Paris, France

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Introduction to session

Michael Landsberg, Dmitry Svergun

Structural biology of prokaryotic cell surfaces

Tanmay Bharat

University of Oxford, Oxford, United Kingdom

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Order from disorder in the sarcomere: FATZ forms a fuzzy complex and phase-separated macromolecular condensates with α-actinin

Kristina DJINOVIC CARUGO

University of Vienna, Vienna, Austria

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Deciphering the role of unique bacterial transcription-associated factor HelD.

Tomáš Kovaľ¹, Tomáš Kouba², Petra Sudzinová³, Jiří Pospíšil³, Barbora Brezovská³, Jarmila Hnilicová³, Hana Šanderová³, Martina Janoušková³, Michaela Šiková³, Petr Halada³, Michal Sýkora⁴, Ivan Barvík⁵, Jiří Nováček⁶, Mária Trundová¹, Jarmila Dušková¹, Tereza Skálová¹, URee Chon⁷, Katsuhiko S. Murakami⁷, Libor Krásný³, Jan Dohnálek¹

¹Institute of Biotechnology of the Czech Academy of Sciences, Vestec, Czech Republic; ²EMBL Grenoble, Grenoble, France; ³Institute of Microbiology of the Czech Academy of Sciences, Prague, Czech Republic; ⁴Institute of Molecular Genetics of the Czech Academy of Sciences, Prague, Czech Republic; ⁵Faculty of Mathematics and Physics, Institute of Physics, Charles University, Prague, Czech Republic; ⁶CEITEC, Masaryk University, Brno, Czech Republic; ⁷The Center for RNA Molecular Biology, Pennsylvania State University, University Park, PA, USA

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Anomalous small-angle X-ray scattering on biological macromolecules at the P12 beamline of EMBL-Hamburg

Andrey Gruzinov¹, Martin Schroer¹, Clement Blanchet¹, Karen Manalastas-Cantos¹, Alexey Kikhney¹, Nelly Hajizadeh¹, Florian Wieland², Florian Schulz³, Daniel Franke¹, Cy Jeffries¹, Dmitri Svergun¹

¹EMBL Hamburg c/o DESY, Notkestrasse 85, 22607 Hamburg, Germany; ²Helmholtz-Zentrum Geesthacht (Außenstelle DESY), Notkestrasse 85, 22607 Hamburg, Germany; ³University of Hamburg, Grindelallee 117, 20146 Hamburg, Germany

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An asymmetric structure of the filament is key to inducing flagellar curvature and enabling motility in the Leptospira spirochete

Fabiana San Martin¹, Kimberley H Gibson², Felipe Trajtenberg¹, Megan R Brady², Elsio A Wunder³, Mathieu Picardeau⁴, Ariel Mechaly¹, Albert I Ko³, Charles V Sindelar², Alejandro Buschiazzo¹

¹Lab of Molecular & Structural Microbiology, Institut Pasteur de Montevideo, Mataojo 2020, Montevideo, Uruguay; ²Dept of Molecular Biophysics and Biochemistry, Yale School of Medicine, New Haven, USA; ³Dept of Epidemiology of Microbial Diseases, Yale School of Public Health, New Haven, USA; ⁴Biology of Spirochetes Unit, Institut Pasteur, Paris, France

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Structure of the 80S ribosome from Candida albicans revealed by integrative structural biology approach

Yuri Zgadzay^1,2, Olga Kolosova², Artem Stetsenko³, Konstantin Usachev¹, Shamil Validov¹, Andrey Rogachev⁴, Albert Guskov^3,4, Marat Yusupov^1,2

¹Laboratory of Structural Biology, Institute of Fundamental Medicine and Biology, Kazan Federal University, Kazan, Russia; ²Department of Integrated Structural Biology, Institute of Genetics and Molecular and Cellular Biology, University of Strasbourg, Illkirch, France; ³Groningen Biomolecular Sciences and Biotechnology Institute (GBB), University of Groningen, Groningen, the Netherlands; ⁴Moscow Institute of Physics and Technology, Dolgoprudny, Russia

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Introduction to session

Lars Redecke, Fasseli Coulibaly

Concurrent crystallization of multiple proteins in a single cell without interfering each other’s phase separation events

Haruki Hasegawa

Amgen Inc, South San Francisco, United States of America

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Microfluidic Tools Reducing Sample Amount in Serial Crystallography with XFELs

Alexandra Ros

Arizona State University, Tempe, United States of America

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MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography

Max T. B. Clabbers^2,4, Susannah Holmes¹, Timothy W. Muusse³, Parimala Vajjhala³, Sara J. Thygesen³, Alpeshkumar K. Malde⁵, Dominic J. B. Hunter^3,6,7, Tristan I. Croll⁸, Leonie Flueckiger¹, Jeffrey D. Nanson³, Md. Habibur Rahaman³, Andrew Aquila⁹, Mark S. Hunter⁹, Mengning Liang⁹, Chun Hong Yoon⁹, Jingjing Zhao², Nadia A. Zatsepin¹, Brian Abbey¹, Emma Sierecki⁶, Yann Gambin⁶, Katryn J. Stacey³, Connie Darmanin¹, Bostjan Kobe^3,7,10, Hongyi Xu², Thomas Ve⁵

¹Australian Research Council Centre of Excellence in Advanced Molecular Imaging, Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, Australia; ²Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden; ³School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, Queensland, Australia; ⁴Department of Biological Chemistry, University of California Los Angeles, Los Angeles, California, USA; ⁵Institute for Glycomics, Griffith University, Southport, Queensland, Australia.; ⁶EMBL Australia Node in Single Molecule Science, University of New South Wales, Kensington, New South Wales, Australia; ⁷Institute for Molecular Bioscience, The University of Queensland, Brisbane, Queensland, Australia; ⁸Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK.; ⁹Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, California, USA.; ¹⁰Australian Infectious Diseases Research Centre, The University of Queensland, Brisbane, Queensland, Australia.

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The crystallomics pipeline, a shotgun approach on native proteomes to (re)discover the unsuspected

Sylvain Engilberge^1,2, Olivier Lemaire³, Marie-Caroline Mueller³, Filip Leonarski³, Chia-Ying Huang¹, Takashi Tomizaki¹, Naohiro Matsugaki⁵, Antoine Royant⁴, Vincent Olieric¹, Meitian Wang¹, Tristan Wagner³

¹Swiss Light Source, Paul Scherrer Institut, Forschungsstrasse 111, Villigen-PSI, 5232, Switzerland; ²European Synchrotron Radiation Facility, 38043 Grenoble, France; ³Max-Planck-Institut für Marine Mikrobiologie, Celsiusstraße 1, 28359, Bremen, Germany; ⁴Structural Biology Research Center, Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, 305-0801, Japan.; ⁵Institut de Biologie Structurale (IBS), Universite ́ Grenoble Alpes, CEA, CNRS, 71 avenue des Martyrs, Grenoble Cedex 9, 38044, France

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Protein crystallization assisted by the crystallophore.

Eric Girard¹, Zaynab Alsalman¹, Adeline Robin¹, Sylvain Engilberge¹, Amandine Roux², François Riobé², Olivier Maury²

¹Institut de Biologie Structurale, Grenoble, France; ²Ecole Normale Supérieure, Lyon, France

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Protein crystallisation in agarose gel, a cheap and versatile technique

Jose A. Gavira¹, Fiora Artusio², Albert Castellví³, Roberto Pisano²

¹CSIC, Granada, Spain; ²Politecnico di Torino, Torino, Italy; ³Structural Biology, Molecular Biology Institute of Barcelona, Barcelona, Spain

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Introduction to session

Franziska Emmerling, Javier Marti-Rujas

Stepwise evolution of molecular nanoaggregates inside the pores of a highly flexible Metal-Organic Framework.

Paolo Pio Mazzeo^1,2, Davide Balestri¹, Claudia Carraro¹, Nicola Demitri³, Paolo Pelagatti^1,4, Alessia Bacchi^1,2

¹Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Viale delle Scienze, 17A, 43124 Parma (Italy); ²Biopharmanet-TEC, Università degli studi di Parma via Parco Area delle Scienze 27/A, 43124 Parma (Italy); ³Elettra—Sincrotrone Trieste S.S. 14 Km 163.5 in Area Science Park, 34149 Basovizza—Trieste (Italy); ⁴Centro Interuniveristario di Reattività Chimica e Catalisi (CIRCC) Via Celso Ulpiani 27, 70126 Bari (Italy)

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Kinetic assembly of coordination networks creates flexible and functional materials

Hiroyoshi Ohtsu

Tokyo Institute of Technology, Meguro-ku, Tokyo, Japan

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In-situ XRD and PDF investigation of battery fluoride materials MF₃.3H₂O (M = Fe, Cr) in controlled atmosphere: accessing new phases with controlled chemistry

Martin Schreyer¹, Gwilherm Nénert¹, Kerstin Forsberg², Claire V. Colin³

¹Malvern Panalytical B.V., Almelo, Netherlands, The; ²School of Chemical Science and Engineering, Royal Institute of Technology, Teknikringen 42, SE 100 44 Stockholm, Sweden; ³Université Grenoble Alpes, Institut Néel, F-38042 Grenoble, France

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Light- and temperature-induced linkage isomerism in a series of Ni^II, Cu^II and Co^III complexes in the solid state

Sylwia Ewa Kutniewska¹, Patryk Borowski¹, Krystyna Deresz¹, Radoslaw Kaminski¹, Adam Krowczynski¹, Wlodzimierz Buchowicz², Dominik Schaniel³, Katarzyna Jarzembska¹

¹Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089 Warsaw, Poland; ²Department of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland; ³CRM2, Jean Barriol Institute, CNRS UMR 7036, University of Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy, France

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Studies of the functional characteristics of adaptive X-ray optical elements based on combination of longitudinal and transverse acoustic waves in wide frequency ranges

Alexander Blagov^1,2, Anton Targonskiy^1,2, Valentin Akkuratov^1,2, Yan Eliovich^1,2, Vahan Kocharyan^3,4, Anton Kulikov^1,2, Artur Movsisyan^3,4, Tigran Muradyan³, Yuri Pisarevsky^1,2, Alexei Seregin^1,2, Mikhail Kovalchuk^1,2

¹NRC “Kurchatov institute”, 1, Akademika Kurchatova pl., Moscow, Russia, 123182; ²FSRC “Crystallography and photonics” RAS, 59, Leninskii pr., Moscow, Russia, 119333; ³Institute of Applied Problems of Physics NAS of Armenia, 25, Hrachya Nersissian Str., Yerevan, Republic of Armenia, 0014; ⁴Tomsk Polytechnic University, 30, Lenin Avenue, Tomsk, Russia, 634050

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In situ control of Photochromic properties with dual photoreactive soft crystal

Akiko Sekine, Yuta Yamazaki, Masato Tanaka, Hidehiro Uekusa

Department of Chemistry, Tokyo Institute of Technology, Tokyo, Japan

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Introduction to session

Nicolae Strungaru, Uwe Grimm

The mathematics of absolutely continuous diffraction

Chrizaldy Neil Manibo

Bielefeld University, Bielefeld, Germany

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Mean field theory calculations to model single crystal diffuse scattering

Ella Mara Schmidt, Johnathan Bulled, Andrew Goodwin

University of Oxford, Oxford, United Kingdom

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KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES

Vladimir Alekseevich Belyakov

Landau Institute for Theoretical Physics, Moscow, Russian Federation

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Characterization of the correlated disorder in Ge₂Bi₄Te₇

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

University of Antwerp, Wommelgem, Belgium

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Tuning of disordered local structure in Prussian Blue analogues

Yevheniia Kholina, Arkadiy Simonov

ETH Zurich, Zurich, Switzerland

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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

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Introduction to session

Roman Sibille, Geetha Balakrishnan

Dimer physics in the frustrated Cairo pentagonal antiferromagnet Bi₂Fe₄O₉

Ketty Beauvois^1,2, Virginie Simonet³, Sylvain Petit⁴, Julien Robert³, Frédéric Bourdarot², Marin Gospodinov⁵, Sacha Mukhin⁶, Rafik Ballou³, Vassil Skumryev⁷, Eric Ressouche²

¹Institut Laue Langevin, Grenoble, France; ²CEA, IRIG/DEPHY/MEM-MDN, Grenoble, France; ³Institut Néel, CNRS, Grenoble, France; ⁴CEA-CNRS, LLB Saclay, France; ⁵Institute of Solid State Physics, Bulgarian Academy of Sciences, Bulgaria; ⁶Russian Academy of science, Russia; ⁷Universitat Autonoma de Barcelona, Spain

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Characterizing the local charge density to determine complex magnetic correlations, and vice versa

Nicolas Gauthier

Stanford University & SLAC National Accelerator Laboratory, Stanford, California 94305, USA

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Magnetic structure and interactions in 2D layered van der Waals semiconductors CrPS₄ and MnPSe₃ probed with neutron scattering

Stuart Calder¹, Amanda Haglund², Yaohua Liu¹, Daniel Pajerowski¹, Huibo Cao¹, Travis Williams¹, Alexander Kolesnikov¹, Vasile Garlea¹, David Mandrus²

¹Oak Ridge National Laboratory; ²University of Tennessee

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Geometric frustration on the trillium lattice in a magnetic metal–organic framework

Johnathan M. Bulled¹, Joseph A. M. Paddison^2,3, Andrew Wildes⁴, Elsa Lhotel⁵, Breogan Pato-Doldan⁶, L. Claudia Gomez-Aguirre⁷, Paul J. Saines⁸, Andrew L. Goodwin¹

¹Inorganic Chemistry Laboratory, University of Oxford, South Parks Rd., Oxford OX1 3QR, U.K; ²Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, U.S.A.; ³Churchill College, University of Cambridge, Storey’s Way, Cambridge CB3 0DS, U.K.; ⁴Institut Laue-Langevin, BP156, 71 Avenue des Martyrs, 38000, Grenoble, France; ⁵Institut Néel, 25 Avenue des Martyrs, 38042 Grenoble, France; ⁶Department of Chemistry, University of Bergen, P.O. Box 7803, N-5020 Bergen, Norway; ⁷Department of Fundamental Chemistry and CICA, Faculty of Sciences University of A Coruña, 15071 A Coruña, Spain; ⁸School of Physical Sciences, University of Kent, Canterbury CT2 7NH, U.K.

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Investigating Kosterlitz-Thouless physics in the triangular lattice antiferromagnet TmMgGaO₄

Benjamin A. Frandsen¹, Zhiling Dun², Raju Baral¹, Martin Mourigal²

¹Brigham Young University, Provo, United States of America; ²Georgia Institute of Technology, Atlanta, United States of America

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Nanoscale distortions and ground state selection in geometrically frustrated magnets

Alexandros Lappas¹, Benjamin Frandsen², Emil Bozin³

¹Foundation for Research and Technology - Hellas, 71110 Heraklion, Crete, Greece; ²Brigham Young University, Provo, Utah 84602, USA; ³Brookhaven National Laboratory, Upton, New York 11973, USA

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Introduction to session

Vanessa Kate Peterson, Claire Villevieille

Dynamic heterogeneity in transition metal oxide cathodes

Karena Chapman

Stony Brook University, Stony Brook, United States of America

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Operando characterization of battery anodes using mXRD and combined SAXS/WAXS

Sandrine Lyonnard, Samuel Tardif

CEA IRIG, Grenoble, France

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Insight into the charging-discharging of magnetite electrodes: In-situ XAS study

Chandrani Nayak, Abharana N, S. N. Jha, Dibyendu Bhattacharyya

Bhabha Atomic Research Centre, Mumbai, India

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Powerful SAS techniques for operando analysis of battery materials

Eneli Härk¹, Ben Kent², Sebastian Risse¹, Rafael Müller¹, Matthias Ballauff³, Yan Lu¹

¹Department for Electrochemical Energy Storage, Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109, Berlin, Germany; ²School of Chemistry, UNSW Sydney NSW 2052, Australia; ³Institut für Chemie und Biochemie Freie Universitaet Berlin Takustrasse 3, 14195 Berlin,Germany

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Redox oscillations in 18650-type lithium-ion cell revealed by in-operando Compton scattering imaging

Kosuke Suzuki¹, Shunta Suzuki¹, Yuji Otsuka¹, Naruki Tsuji², Kirsi Jalkanen³, Jari Koskinen³, Kazushi Hoshi¹, Ari-Pekka Honkanen⁴, Hasnain Hafiz⁵, Yoshiharu Sakurai², Mika Kanninen³, Simo Huotari⁴, Arun Bansil⁶, Hiroshi Sakurai¹, Bernardo Barbiellini^7,6

¹Gunma University, Kiryu, Japan; ²Japan Synchrotron Radiation Research Institute, SPring-8, Sayo, Japan; ³Akkurate Oy, Kaarikatu 8b, 20760 Kaarina, Finland; ⁴University of Helsinki, P.O. Box 64, FI-00014 Helsinki, Finland; ⁵Carnegie Mellon University, Pittsburgh, USA; ⁶Northeastern University, Boston, USA; ⁷LUT University, FI-53850 Lappeenranta, Finland

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Optimization of in-situ 3D electron diffraction in an electrochemical liquid cell for crystal structure determination of energy materials

Mylene Hendrickx, Joke Hadermann

University of Antwerp, Antwerp, Belgium

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Introduction to session

Cinzia Giannini, Jinong Zhu

The colloidal structure of a regenerated cellulose fiber

Ulf Olsson¹, Marta Gubitosi¹, Shirin Asaadi^1,2, Herbert Sixta², Luigi Gentile³, Cinzia Giannini⁴

¹Lund University, Lund, Sweden; ²Aalto University, Finland; ³University of Bari, Bari, Italy; ⁴4Institute of Crystallography, CNR, Bari, Italy

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Structure determination of nanocrystals

Junliang Sun

Peking University, Beijing, China, People's Republic of

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Thermal disorder and mechanical anisotropy in nanocrystals

Alberto Leonardi^1,2, Matteo Leoni³, Michael Engel²

¹ISIS Neutron and Muon Facility, UKRI-Science and Technical Facility Council, Didcot, United Kingdom; ²Institute for Multiscale Simulation, Friedrich-Alexander University Erlangen-Nürnberg; ³Saudi Aramco Research & Development Center

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Interplay between size, morphology, microstructure defects and optoelectronic properties of CdSe nanocrystals

Stefan Neumann¹, Martin Rudolph¹, Christina Menter^2,3, Ahmed Salaheldin Mahmoud^2,3, Doris Segets⁴, David Rafaja¹

¹Institute of Materials Science, TU Bergakademie Freiberg, Germany; ²Institute of Particle Technology (LFG), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Germany; ³Interdisciplinary Center for Functional Particle Systems (FPS), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Germany; ⁴Process Technology for Electrochemical Functional Materials and Center for Nanointegration Duisburg-Essen (CENIDE), University Duisburg-Essen, Germany

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Spinel ferrite nanoparticles in core shell architecture for heat release

Marco Sanna Angotzi¹, Valentina Mameli¹, Claudio Cara¹, Anna Musinu¹, Claudio Sangregorio², Jana Vejpravova³, Carla Cannas¹

¹Department of Chemical and Geological Sciences, University of Cagliari, S.S. 554 bivio per Sestu, 09042 Monserrato (CA), Italy; ²Istituto di Chimica dei Composti OrganoMetallici - Consiglio Nazionale delle Ricerche (ICCOM-CNR), Via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy; ³Department of Condensed Matter Physics, Charles University, Ke Karlovu 5, 12116 Prague 2, Czech Republic

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Monodisperse Cesium lead bromide perovskite nanocrystals (NCs) CsPbBr₃ with bright and stable green photoluminescence for application light emitters devices.

Nabila Jarmouni¹, Francesco Pineider², Marco Tomaiuolo², Said Benmokhtar¹

¹Laboratory of Physical Chemistry of Materials, Department of Chemistry, Faculty of Sciences, University Hassan II of Casablanca, Casablanca, Morocco; ²Department of Chemistry and Industrial Chemistry, University of Pisa, Italy

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Introduction to session

Joke Hadermann, Junliang Sun

X-ray powder diffraction and electron single crystal diffraction – two techniques for structure analysis of nanocrystals

Tatiana Gorelik

University of Ulm, Ulm, Germany

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In the age of electrons, do we still need powder diffraction?

Stef Smeets

Netherlands eScience Center, Amsterdam, The Netherlands

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The long-time elusive structure of magadiite,solved by 3D electron diffraction and model building

Yaşar Krysiak¹, Marcel Maslyk², Bruna N. N. Silva³, Sergi Plana-Ruiz^4,5, Hipassia M. Moura⁶, Erica O. Munsignatti⁶, Viviane S. Vaiss³, Ute Kolb^2,4, Wolfgang Tremel², Lukáš Palatinus⁷, Alexandre A. Leitão³, Bernd Marler⁸, Heloise O. Pastore⁶

¹Inst. Inorg. Chem., University of Hannover, Germany; ²Inst. Inorg. Chem. Analytical Chem., University of Mainz, Germany; ³Group of Phys. Chem. of Solids and Interfaces, Depart. Chem., Universidade Federal de Juiz de Fora, Brazil; ⁴Depart. Mater. Geoscience, University of Darmstadt, Germany; ⁵LENS, MIND/IN2UB, Engineer Depart.: Electronics section, Universitat de Barcelona, Catalonia; ⁶Micro Mesoporous Molecular Sieves Group, Inst. Chem., University of Campinas, Brazil; ⁷Departm. Structure Analysis, Inst. Physics, Czech Academy of Sciences, Czech Republic; ⁸Inst. Geol, Mineral., Geophysics, Ruhr University Bochum, Germany

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Structure and stability of δ-indomethacin

Iryna Andrusenko¹, Enrico Mugnaioli¹, Mauro Gemmi¹, Arianna E. Lanza^1,2, Victoria Hamilton³, Charlie L. Hall³, Jason Potticary³, Simon R. Hall³, Anna M. Piras⁴, Ylenia Zambito⁴

¹Istituto Italiano di Tecnologia, Pisa, Italy; ²ELDICO Scientific AG, Villigen, Switzerland; ³School of Chemistry, University of Bristol, Bristol, UK; ⁴Department of Pharmacy, University of Pisa, Pisa, Italy

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A Novel High-Pressure Tin Oxynitride Sn₂N₂O

Philipp Gollé-Leidreiter^1,4, Leonore Wiehl¹, Shrikant Bhat², Ute Kolb^1,3, Ralf Riedel¹

¹FB Material- und Geowissenschaften, Technische Universität Darmstadt, Alarich Weiss Straße 2, 64287 Darmstadt, Germany; ²Photon Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany; ³Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, Saarstraße 10-14, 55128 Mainz, Germany; ⁴Fraunhofer ISC Neunerplatz 2, 97082 Würzburg, Germany

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Low Dose Electron Diffraction Tomography (LD-EDT) in TEM: Application on an hydrated Al arsenate mineral

Emre Yörük, Holger Klein, Stephanie Kodjikian

Université Grenoble Alpes and CNRS, Institut Néel, 38000, Grenoble, France

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Olex2

Horst Puschmann

OlexSys / Durham University, Durham, United Kingdom

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NoSpherA2: non-spherical form factors in Olex2

Florian Kleemiss

University of Regensburg, Regensburg, Germany

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lamaGOET - an interface for quantum crystallography

Lorraine Andrade Malaspina

University of Bern, Bern, Switzerland

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Introduction to session

Charlotte Uetrecht, Sheena McGowan

Using Ancestral Sequence Reconstruction to Create Robust, Highly Expressed Proteins for Crystallography

Elizabeth M.J. Gillam¹, Raine E.S. Thomson¹, Stephlina A. D'Cunha¹, Kurt L. Harris¹, Gabriel Foley¹, Mikael Boden¹, Aaron G. Bart², Emily E. Scott²

¹The University of Queensland, Brisbane, Australia; ²University of Michigan, Ann Arbor, MI, Unites States

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Protein cage directed nanoparticle superlattices

Mauri Kostiainen

Aalto University, Espoo, Finland

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The bright-side and the dark-side of computational protein stabilization

Martin Marek^1,2, Klara Markova¹, Antonin Kunka^1,2, Klaudia Chmelova¹, Martin Havlasek¹, Petra Babkova^1,2, Sérgio Marques^1,2, Michal Vasina^1,2, Joan Iglesias-Planas¹, Radka Chaloupkova^1,2, David Bednar^1,2, Zbynek Prokop^1,2, Jiri Damborsky^1,2

¹Masaryk University, Brno, Czech Republic; ²International Clinical Research Center, St. Anne’s University Hospital Brno, Czech Republic

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Enzyme engineering by random mutagenesis: structural and functional studies of modified plant-type L-asparaginase (EcAIII)

Joanna Loch¹, Agnieszka Klonecka¹, Kinga Kądziołka¹, Piotr Bonarek², Jakub Barciszewski³, Krzysztof Lewiński¹, Mariusz Jaskolski^3,4

¹Jagiellonian University, Faculty of Chemistry, Krakow, Poland; ²Jagiellonian University, Faculty of Biochemistry, Biophysics and Biotechnology, Krakow, Poland; ³Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; ⁴Faculty of Chemistry, A. Mickiewicz University, Poznan, Poland

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Computational design of symmetric eight and nine-bladed β-propellers

Bram Mylemans, Arnout RD Voet

KU Leuven, Heverlee, Belgium

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Structural evidence for the bleaching caused by oxygen in rsCherry

Thi Yen Hang Bui¹, Benjamien Moeyaert¹, Ludovic Pecqueur², Bindu Srinivasu³, Anastassios Economou³, Marc Fontecave², Peter Dedecker¹, Luc Van Meervelt¹

¹Biochemistry, Molecular and Structural Biology; Department of Chemistry, KU Leuven, Belgium; ²Chemistry of Biological Processes, Collège de France, Paris, France; ³Laboratory of Molecular Bacteriology, Rega Institute, KU Leuven, Belgium

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Introduction to session

Jozef Kožíšek, Veronica Paredes-Garcia

Semicoordination in Co(II) Single-Ion Magnets

Ivan Nemec^1,2, Ondrej Frantisek Fellner¹, Lubomír Havlíček², Radovan Herchel¹

¹Palacky University, Olomouc, Czech Republic; ²Ceitec Brno Univeristy of Technology, Czech Republic

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Quantum crystallography of systems with agostic interactions

Lorraine Andrade Malaspina, Simon Grabowsky

University of Bern, Department of Chemistry, Biochemistry and Pharmaceutical Sciences, Switzerland

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Field-dependent magnetic anisotropy in a single-ion magnet measured using polarized neutron powder diffraction

Emil Andreasen Klahn¹, Andreas Munch Thiel¹, Iurii Kibalin², Arsen Gukasov², Jacob Overgaard¹

¹Dept. of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark; ²Laboratorie Léon Brillouin, CEA-CNRS, CE-Saclay, 91191 Gif-sur-Yvette, France

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Through-space intervalence charge transfer in cobalt based Metal-organic framework: an experimental and theoretical study

AKASHDEEP NATH, SURYAKANTA TANTY, VENNAPUSA SIVARANJANA REDDY, SUKHENDU MANDAL

IISER THIRUVANANTHAPURAM, KERALA, INDIA

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Magnetism of 2D Thiocyanates

Matthew James Cliffe¹, Madeleine Geers^1,2, Laura Cañadillas Delgado², Euan Bassey³

¹School of Chemistry, University of Nottingham, University Park, United Kingdom; ²Institut Laue Langevin, Grenoble, France; ³Dept. of Chemistry, Lensfield Road, University of Cambridge

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High-Pressure Studies of Single-Molecule Magnets

Andreas Munch Thiel, Marie Steenberg Norre, Jacob Overgaard

Dept. of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark

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Introduction to session

Carlo Meneghini, Siegbert Schmid

Structure and charge monitoring of battery materials: long range vs. short range in Prussian Blue Analogous

Marco Giorgetti

University of Bologna, Bologna, Italy

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Diffraction and Spectroscopy: characterising thin ferromagnetic films from the local scale to the long-range... and beyond

Ilaria Carlomagno¹, Jakub Drnec², Roberto Felici³, Carlo Meneghini⁴

¹Elettra Sincrotrone Trieste, Basovizza, Italy; ²ESRF, Grenoble, France; ³SPIN-CNR, Rome, Italy; ⁴Università Roma Tre, Rome, Italy

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Combining X-ray absorption and diffraction to relate structure to the activity in catalysts for CO₂ valorization reactions

Paula Macarena Abdala, Muhammad Awais Naeem, Sung Min Kim, Athanasia Tsoukalou, Alexey Fedorov, Christoph Müller

ETH Zurich, Zürich, Switzerland

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XAS, IR and XRD analysis for structural characterization of rare minerals: new occurrence of demantoid garnets in Sa Spinarbedda mine (Sardinia – Italy)

Nicola Precisvalle¹, Annalisa Martucci¹, Costanza Bonadiman¹, Simone Pollastri², Chiaramaria Stani²

¹Physics and Earth Sciences Department, University of Ferrara, Via Saragat 1, 44122 Ferrara, Italy; ²Elettra - Sincrotrone Trieste, ss 14, km 163.5, 34149 Basovizza, Trieste Italy.

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Effects of Li⁺ addition rate during the synthesis of LiFePO₄: Combining X-ray diffraction and spectroscopy techniques to determine average and local structure.

Michelle Thiebaut^1,2,3, Caren Billing¹, David Billing^1,3, Deena Naidoo^1,3

¹University of the Witwatersrand, Johannesburg, South Africa; ²National Research Foundation, South Africa; ³Centre of Excellence in Strong Materials (DSI - NRF CoE-SM)

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Ultraviolet-assisted synthesis and structural characterization of the Pd nanoparticles on the CeO₂ substrate

Mikhail Viktorovich Kirichkov, Vladimir Andreevich Polyakov, Andrei Alexandrovich Tereshchenko, Victor Vasilievich Shapovalov, Alexander Alexandrovich Guda, Alexander Vladimirovich Soldatov

The Smart Materials Research Institute, Rostov-on-Don, Russian Federation

External Resource:

Introduction to session

Karena Chapman, Fernando Uribe-Romo

Densely Packed UV-Visible Light Responsive Photocatalytic Pairs in Hexagonally Arrayed Silicate Nanochannels for Hydrogen Production

Je-Wei Chang^1,2, An-Chung Su², Ying−Huang Lai³, U−Ser Jeng^1,2

¹National Synchrotron Radiation Research Center (NSRRC), Hsinchu, Taiwan; ²National Tsing Hua University Department of Chemical Engineering; ³Tunghai University Department of Chemistry

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MOFs as hosts to analogues of complex magnetic phases

Emma H Wolpert¹, François-Xaiver Coudert², Andrew L Goodwin³

¹Imperial College London, United Kingdom; ²Université Paris Sciences et Lettres, France; ³University of Oxford, Oxford, United Kingdom

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NMR crystallography of 2D and 3D assemblies of functional molecules

Martin Dracinsky, Guillaume Bastien, Carina Santos-Hurtado, Jiri Kaleta

Institute of Organic Chemistry and Biochemistry AS CR, Prague, Czech Republic

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From CO₂ to dimethyl ether: mesostructured acidic oxides for methanol dehydration to design bifunctional catalysts

Fausto Secci¹, Claudio Cara¹, Elisabetta Rombi¹, Marco Sanna Angotzi¹, Sarah Lai², Kai Skrodczky³, Nicola Pinna³, Mauro Mureddu², Carla Cannas¹

¹University of Cagliari, Monserrato (CA), Italy; ²Sotacarbo SpA, Carbonia (SU), Italy; ³Humboldt University, Berlin, Germany

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Introduction to session

Jean-Marc Joubert, Stefan Adams

Accessing micro- and macroscopic pictures of gas adsorption by in situ powder diffraction

Yaroslav Filinchuk¹, Xiao Li¹, Iurii Dovgaliuk², Dmitry Chernyshov³

¹UCLouvain, Louvain-la-Neuve, Belgium; ²École normale supérieure, Paris, France; ³SNBL/ESRF, Grenoble, France

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Parallel and serial reduction pathways in complex oxide lithium-ion battery anodes

Kent J. Griffith, Kenneth R. Poeppelmeier

Northwestern University, Evanston, United States of America

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Metal hydroborates as solid-state electrolytes

Radovan Cerny

University of Geneva, Geneva, Switzerland

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Atomistic modelling as a complementary tool for diffraction studies

Max Avdeev

Australian Nuclear Science and Technology Organisation, Lucas Heights, Australia

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Degradation mechanisms and thermal stability of of vacancy-free Na₂Fe[Fe(CN)₆]: The impact of water and guest cations

Dickson Ojwang, Hanna Bostroem, William Robert Brant

Uppsala University, Uppsala, Sweden

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Structure-properties correlations unlocked through exquisitely sensitive powder diffraction

Peter Khalifah^1,2

¹Stony Brook University; ²Brookhaven National Laboratory

External Resource:

Introduction to session

Cinzia Giannini, Jinong Zhu

Picometer-level core-shell structure in Pd nanocrystals revealed by total scattering

Kenichi Kato^1,2, Kazuya Shigeta³, Ryota Sato⁴, Miho Yamauchi⁵, Toshiharu Teranishi⁴

¹RIKEN SPring-8 Center, Hyogo 679-5148, Japan; ²JST, PRESTO, Saitama 332-0012, Japan; ³Nippon Gijutsu Center Co. Ltd, Hyogo 679-5148, Japan; ⁴Institute for Chemical Research, Kyoto University, Kyoto 611-0011, Japan; ⁵International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, Fukuoka 819-0395, Japan

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The journey from disorder to order: transformation of ferrite magnets investigated in situ by combined Bragg & total scattering analysis

Priyank Shyam, Harikrishnan Vijayan, Mogens Christensen

Aarhus University, Aarhus C, Denmark

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Millisecond structural dynamics during the piezoelectric cycle of silk fibroin by synchrotron X-ray scattering & comparison with DFT calculation

Christopher Garvey^1,2, Stephen Mudie³, Denis Music⁴, Pär Olsson^4,5, Vitor Sencadas⁶

¹Lund Institute for Advanced Neutron and X-ray Science, Lund 20503, Sweden; ²Heinz Maier-Leibnitz Zentrum (MLZ), Lichtenbergstrasse 1 85747, Garching, Germany; ³Australian Synchrotron, ANSTO, 800 Blackburn Rd, Clayton, 3168, Australia; ⁴Department of Materials Science and Applied Mathematics, Malmö University, SE-205 06 Malmö, Sweden; ⁵Division of Mechanics, Lund University, Box 118, 221 00 Lund, Sweden; ⁶School of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW, 2522, Australia

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A high-throughput method for combinatorial screening of metal nanoparticles using x-ray pair distribution function analysis

Songsheng Tao¹, Samira Shiri², Dan Kurtz², Nate James Cira², Bryan Hunter², Simon J. L. Billinge^1,3

¹Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, USA; ²Rowland Institute, Harvard University, Cambridge, MA, USA; ³Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY, USA

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Controlling crystallization pathways and kinetics in multiferroic Bi₂Fe₄O₉

Andrea Kirsch¹, Niels Lefeld², Mathias Gogolin², Soham Banerjee³, Kirsten M. Ø. Jensen¹

¹University of Copenhagen, Department of Chemistry, Universitetsparken 5, DK-2100 Copenhagen, Denmark; ²Universität Bremen, Institut für Anorganische Chemie und Kristallographie, Leobener Straße 7 /NW2, D-28359 Bremen, Germany; ³PETRA III, Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, 22607, Hamburg, Germany

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Atomic pair distribution function analysis of goethite and/or hydroxyapatite functionalized cyclodextrin nanosponges

Songsheng Tao¹, Che Randy Nangah^2,3, Ketcha Joseph Mbadcam², Josepha Foba Tendo⁴, Simon J. L. Billinge^1,5

¹Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027; ²Department of Inorganic Chemistry, University of Yaounde I, P.O. Box 812 Yaounde, Cameroon; ³Local Materials Promotion Authority (MIPROMALO), MINRESI, P.O Box 2396 Yaounde, Cameroon,; ⁴Department of Chemistry, University of Buea, P.O. Box 63 Buea, Cameroon; ⁵Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973

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Introduction to session

Tatiana Gorelik, Xiadong Zhu

Approximate Rotational Symmetries in Electron Nanodiffraction from Amorphous Materials

Shuoyuan Huang, Carter Frances, Paul Voyles

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

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Local structure analysis by pair distribution function obtained from a TEM

Cheuk-Wai Tai

Stockholm University, Stockholm, Sweden

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Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li_1.2Ni_0.13Mn_0.54Co_0.13O₂

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

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

Meng Ge, Zhehao Huang, Xiaodong Zou

Stockholm University, Stockholm, Sweden

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

Yevgeny Rakita^1,2, James L. Hart², Partha Pratim Das³, Stavros Nicolopoulos³, Sina Shahrezaei⁴, Suveen Nigel Mathaudhu⁴, Mitra L. Taheri², Simon J. L. Billinge^1,5

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

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

Peter Moeck

Portland State University, PORTLAND, Oregon, USA

External Resource:

Introduction to session

Oluwatoyin Asojo

Adaptable virtual X-Ray laboratories for online teaching, learning, and authentic practice

Yakov Cherner¹, Oluwatoyin Asojo², Phillip Cherner³, Yi He⁴, Hamid Garmestani⁵

¹ATeL - Advanced Tools for e-Learning, Swampscott, United States of America; ²Hampton University, Hampton, VA, United States of America; ³Microsoft Corporation, Redmond, WA, United States of America; ⁴City University of New York, NYC, NY, United States of America; ⁵Georgia Institute of Technology, Atlanta, GA, United States of America

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Learning in 3D with Pymol and Proteopedia during a pandemic: enzyme catalysis and conformational change

Karsten W Theis, Roderico Acevedo

Westfield State University, Westfield, United States of America

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Teaching crystallography and X-ray diffraction online with MS Teams - experience

Radomír Kužel

Charles University, Faculty of Mathematics and Physics, Czech Republic

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Using Zoom Webinar to Teach Advanced Topics in Crystallography

Joseph D. Ferrara¹, Simon Bates¹, Amanda Cochran¹, Mark Del Campo¹, Christian R. Göb², Florian Kleemiß³, Pierre Le Maguerès¹, Jeff Lengyel⁴, Mathias Meyer⁵, Horst Puschmann⁶, Keisuke Saito¹, Christian Schürmann², Alexandra Stanley², Paul N. Swepston¹, Fraser White², Jakub Wojciechowski²

¹Rigaku Americas Corp., The Woodlands, TX, USA; ²Rigaku Europe SE, Frankfurt, Germany; ³University of Regensburg, Regensburg, Germany; ⁴Cambridge Crystallographic Data Centre Inc, Boston, MA, USA; ⁵Rigaku Polska Sp. z o. o., Wrocław, Poland; ⁶OlexSys Ltd, Durham , United Kingdom

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COVID-proofing Biochemistry and engaging diverse students with Crystallography Research

Oluwatoyin Asojo

Hampton University, Hampton, United States of America

External Resource:

Integrating a discovery based remote/hybrid crystallography lab module into an undergraduate teaching laboratory during the pandemic

Joe Tanski

Vassar College, Poughkeepsie, New York, United States of America

External Resource:

Open slot

Martin Lutz

Utrecht University, Utrecht, Netherlands, The

Atomic pair distribution function (PDF) in the cloud

Simon Billinge

Columbia University + Brookhaven Lab, New York, United States of America

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Advanced modeling of nanostructure from Atomic Pair Distribution Functions (PDFs) using DiffpyCMI on Windows 10

Simon Billinge

Columbia University + Brookhaven Lab, New York, United States of America

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Crystallography online by the Bilbao Crystallographic Server

Gemma de la Flor Martin¹, Mois I. Aroyo²

¹Karlsruhe Institute of Technology, Karlsruhe, Germany; ²University of the Basque Country, Spain

External Resource:

Poster session abstracts

Radomír Kužel

Engineering of protein nanocages for superlatttice formation and nanoparticle encapsulation

Tobias Beck

University of Hamburg, Hamburg, Germany

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Structural characterization of the lid of lipase 2 of Pseudomonas alcaligenes

Elena Lizbeth Garcia-Villegas¹, Enrique Rudiño-Piñera², Liliana Pardo²

¹Centro de Investigación en Dinámica Molecular, UAEM, Cuernavaca, Morelos, Mexico; ²Instituto de Biotecnología, UNAM, Cuernavaca, Morelos, Mexico

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Structural and functional studies of key enzyme (LpxC (UDP-3-O-acyl-N-acetylglucosamine deacetylase) from salmonella typhi involved in Gram-negative bacterial lipid A biosynthesis

Sudhir Kumar Pal

vellore institute of technology, Vellore, India

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Crystallographic and biophysical studies of interactions of new β-lactoglobulin variants with tricyclic drugs

Paulina Wróbel¹, Joanna Loch¹, Piotr Bonarek², Krzysztof Lewiński¹

¹Jagiellonian University, Faculty of Chemistry, Department of Crystal Chemistry and Crystal Physics, Gronostajowa 2, 30-387 Krakow, Poland; ²Jagiellonian University, Faculty of Biochemistry, Biophysics and Biotechnology, Department of Physical Biochemistry, Gronostajowa 7, 30-387 Krakow, Poland

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SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies

Staf M. L. Wouters¹, David E. Clarke^1,2, Hiroki Noguchi¹, Steven De Feyter², Arnout R. D. Voet¹

¹Laboratory of Biomolecular Modeling and Design, Department of Chemistry, KU Leuven, Celestijnenlaan 200G, 3001 Heverlee, Belgium; ²Division of Molecular Imaging and Photonics, Department of Chemistry, KU Leuven, Celestijnenlaan 200F, 3001 Heverlee, Belgium

External Resource:

Poster session abstracts

Radomír Kužel

A novel sample delivery system based on circular motion for serial crystallography

Feng-Zhu Zhao, Xiao-Qian Jin, Liang-Liang Chen, Da-Chuan Yin

Northwestern Polytechnical University, Xi'an, China, People's Republic of

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Dynamic theory of protein crystallization

Jindřich Hašek

Czech Academy of Sciences, Institute of Biotechnology, Průmyslová 595, Vestec,252 50, Czech Republic

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Nucleation and growth of a single suspended protein crystal by merging phase separated droplets

Da-Chuan Yin, Zi-Qing Wu, Yong-Ming Liu

Northwestern Polytechnical University, Xi'an , China, People's Republic of

Preparation of hemoglobin crystals of desired size

Xiaoqian Jin, Fengzhu Zhao, Renbin Zhou, Dachuan Yin

Northwestern Polytechnical University, Xi'an, China, People's Republic of

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Batch crystallisation methods for serial crystallography experiments

John H. Beale, May E. Sharpe

Paul Scherrer Institut, Villigen-PSI, Switzerland

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Exploring Structural Implications of diphosphinamine ligands in Medicine and Catalysis

Dumisani Kama¹, Alice Brink¹, Roger Alberto², Andreas Roodt¹

¹University of the Free State; ²University of Zürich

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Combining RMC and PDF methods to characterize amorphous drug

Vinicius Danilo Nonato Bezzon¹, João Cardoso de Lima², Fabio Furlan Ferreira¹

¹Federal University of ABC, Santo André - SP, Brazil; ²Federal University of Santa Catarina, Florianópolis - SC, Brazil

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Halogenated rhodium(I) complexes as model catalysts for methanol carbonylation.

Lerato Bosman, Alice Brink, Dumisani Kama

University of the Free State, Bloemfontein, South Africa

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Reactivity, bonding and structural elucidation of pendant methyl-pyridinato β-diketiminate ligand moiety

Sanjukta Pahar, Sakya S. Sen

CSIR-NATIONAL CHEMICAL LABORATORY, Pune, India

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Poster session abstracts

Radomír Kužel

Dynamical refinement of beam sensitive crystals: going below a total dose of 0.1 e^-/Ų

Holger Klein, Emre Yörük, Stéphanie Kodjikian

Institut Néel, Grenoble, France

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An electron diffractometer : A novel device for electron crystallography experiments

Gunther Steinfeld, Arianna E. Lanza, Eric Hovestreydt, Gustavo Santiso-Quinones

ELDICO Scientific AG, 5234 Villigen, Switzerland

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Synergy ED: A new electron diffractometer for microED

Fraser White¹, Akihito Yamano¹, Sho Ito¹, Takashi Matsumoto¹, Hiroyasu Sato¹, Joseph Ferrara², Mathias Meyer³, Michał Jasnowski³, Eiji Okunishi⁴, Yoshitaka Aoyama⁴

¹Rigaku Corporation, Haijima, Tokyo, Japan; ²Rigaku Americas Corporation, The Woodlands, Texas, USA; ³Rigaku Polska, Wrocław, Poland; ⁴JEOL Ltd., Akishima, Tokyo, Japan

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The ´Why´ and ´How´ of a Dedicated Electron Diffractometer

Eric Hovestreydt, Arianna Lanza, Gunther Steinfeld, Gustavo Santiso-Quinones

ELDICO Scientific AG, 5234 Villigen, Switzerland

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Ab initio structure determination of two new titanium phosphates synthesized via molten salt synthesis.

Hilke Petersen¹, Niklas Stegmann¹, Michael Fischer^2,3, Bodo Zibrowius¹, Wolfgang Schmidt¹, Martin Etter⁴, Claudia Weidenthaler¹

¹Max-Planck-Institut für Kohlenforschung, Heterogeneous Catalysis, Kaiser-Wilhelm-Platz 1 45470 Mülheim, Germany; ²Crystallography/Geosciences, University of Bremen, Klagenfurter Straße 28359 Bremen, Germany; ³MAPEX Center for Materials and Processes, University of Bremen, 28334 Bremen, Germany; ⁴Deutsches Elektronen-Synchrotron (DESY), Notkestraße 85 22607 Hamburg, Germany

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Effect of nano-SiC doping on the structure and superconducting properties of Mg (B_1-xC_x) ₂

Mauro Melone^1,2, Cesar Sobrero³, Horacio Troiani^2,4, María Teresa Malachevsky^2,4, Adriana Serquis^1,4

¹Instituto de Nanociencia y Nanotecnología, CNEA-CONICET, Av. Bustillo 9500 Bariloche, Argentina; ²Instituto Balseiro, Universidad Nacional de Cuyo, Av. Bustillo 9500 Bariloche, Argentina; ³Institut für Werkstofftechnik, Universität Kassel, 34125 Kassel, Germany; ⁴Comisión Nacional de Energía Atómica, Av. Bustillo 9500 Bariloche, Argentina

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Investigating structure transformations of La_xSr_2-xMnO_4-δ using in situ 3D electron diffraction in a gas environment

Daphne Vandemeulebroucke, Maria Batuk, Joke Hadermann

1EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium

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Investigating nanoparticle surface energetics using 4D-STEM

Bryan David Esser^1,2, Alison M Funston³, Joanne Etheridge^1,2

¹Monash Centre for Electron Microscopy, Monash University, VIC, 3800, Australia; ²Department of Materials Engineering, Monash University, VIC, 3800, Australia; ³School of Chemistry, Monash University, VIC, 3800, Australia

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Simulation of electron diffraction patterns of organic crystals under continuous rotation

Tarik Ronan Drevon

STFC, London, United Kingdom

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The perks of a Zeiss Libra 120 plus TEM - First steps towards electron diffraction

Christoph Grininger¹, Gerhard Hofer², Hongyi Xu², Xiaodong Zou², Tea Pavkov-Keller¹

¹University of Graz, Graz, Austria; ²Stockholm University, Stockholm, Sweden

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Machine Learning Calculation of Large Angle Convergent Beam Electron Diffraction Patterns

Richard Beanland

University of Warwick, Coventry, United Kingdom

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Refinement on electron diffraction data in MoPro: A quest for improved structure model

Kunal Kumar Jha¹, Barbara Gruza¹, Michał Chodkiewicz¹, Christian Jelsch², Paulina Dominiak¹

¹University of Warsaw, Warsaw, Poland; ²Université; de Lorraine, CNRS, CRM2, Nancy, France

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Poster session abstracts

Radomír Kužel

Structure of ferroelectric low temperature phase of yttrium manganate YMn₂O₅ revisited

Tina Weigel¹, Carsten Richter², Melanie Nentwich³, Matthias Zschornak¹, Dirk C. Meyer¹

¹TU Bergakademie Freiberg, Freiberg, Germany; ²Leibniz-Institut für Kristallzüchtung, Berlin, Germany; ³DESY Photon Science, Deutsches Elektronensynchrotron, Hamburg, Germany

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Exploiting the complementarity between X-ray scattering and absorption techniques to investigate breast cancer metastasis

Andre L. C. Conceição¹, Sylvio Haas², Volkmar Müller⁵, Eike Burandt³, Malte Mohme⁴

¹DESY, Hamburg, Germany; ²DESY, Hamburg, Germany; ³Universitätsklinikum Hamburg-Eppendorf, Martinistraße 52, D-20246 Hamburg, Germany; ⁴Universitätsklinikum Hamburg-Eppendorf, Martinistraße 52, D-20246 Hamburg, Germany; ⁵Universitätsklinikum Hamburg-Eppendorf, Martinistraße 52, D-20246 Hamburg, Germany

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Refractory materials structural and surface changes by sulfuric acid treatment

Enida Nushi¹, Lorenci Gjurgjaj², Altin Mele^1,2

¹Ivodent Academy, Tirane, Albania; ²Faculty of Natural Sciences, University of Tirana

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Ferroelectricity driven by ‘A’ and ‘B’ site off-centered displacements in cubic phase with Pm-3m space group

DIGVIJAY NATH DUBEY¹, GURVINDERJIT SINGH², SAURABH TRIPATHI¹

¹Indian Institute of Technology (BHU), Varanasi, India; ²Raja Ramanna Centre for Advanced Technology, Indore, India

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Synthesis and structural resolution by X-ray diffraction of polycrystalline samples of (E)-N-benzylidene-4-haloanilines

Laura Díaz^1,2,3, Angy Katherin Soto Navarro^1,2,3, José Antonio Henao^1,2, Robert Toro^1,2, Juan Manuel Urbina González^1,3

¹Universidad Industrial de Santander, Bucaramanga, Colombia; ²Grupo de Investigación en Química Estructural (GIQUE), UIS Guatiguará, Km 2 vía Refugio, 681011, Piedecuesta, Colombia; ³Laboratorio de Química Orgánica y Biomolecular (LQOBio), Escuela de Química, Universidad Industrial de Santander

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Vibrational spectroscopy as a confirmation method for structural analysis

A. S. Abdel-Rahman¹, S. Kamal Abdel-Aal¹, Gyula Faigel², Katalin Kamaras², Bortel Gábor², Arron Pekker²

¹Physics department, Faculty of Science, Cairo University, Egypt; ²Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungary

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Poster session abstracts

Radomír Kužel

INVESTIGATION OF THE VIABILITY OF STRUCTURAL INFORMATIONDETERMINED WITH X-RAY DIFFRACTION EMPLOYED TO DETERMINEANISOTROPIC MAGNETIC SUSCEPTIBILITY

Rasmus Degn

Aarhus University, Aarhus, Denmark

The magnetic materials beamlines at Diamond Light Source

Dan Porter

Diamond Light Source Ltd, Didcot, United Kingdom

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Symmetry breaking and Optical property of high-temperature superconductor Bi₂Sr₂CaCu₂O_8+δ

Kun Zhang¹, Masataka Matsumoto², Kenta Nakagawa^3,4, Azusa Matsuda¹, Genki Shiro⁵, Toru Asahi^1,6,7

¹Department of Advanced Science and Engineering, Waseda University, Tokyo, Japan; ²Department of Mathematics, Shanghai University, Shanghai, China; ³Kanagawa Institute of Industrial Science and Technology (KISTEC), Ebina, Japan; ⁴Department of Applied Physics and Physico-Informatics, Keio University, Yokohama, Japan; ⁵Department of Biophysics, Kyoto University, Kyoto, Japan; ⁶Waseda Research Institute for Science and Engineering, Waseda University, Tokyo, Japan; ⁷Global Consolidated Research Institute for Science Wisdom, Waseda University, Tokyo, Japan

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Magnetic Structures of RNiSi₃ (R = Gd, Tb and Ho)

Rodolfo Tartaglia¹, Fabiana Rodrigues Arantes², Carlos William Galdino¹, Danilo Rigitano¹, Ulisses Ferreira Kaneko³, Marcos de Abreu Avila², Eduardo Granado¹

¹quot;Gleb Wataghin" Institute of Physics, Campinas, Brazil; ²CCNH, Universidade Federal do ABC (UFABC); ³Brazilian Synchrotron Light Laboratory (LNLS), Brazilian Center for Research in Energy and Materials (CNPEM)

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Non-collinear magnetic order coupled with magnetic glassy behaviour and enhancement of magnetocaloric effect under high pressure

SRIKANTA GOSWAMI¹, Babu P D¹, Rajeev Rawat²

¹UGC-DAE Consortium for Scientific Research, Mumbai Centre, BARC Campus, Mumbai 400085, INDIA; ²UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore- 452001, INDIA

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Magnetic properties and magnetic structure of the quasi one-dimensional antiferromagnet Cu₂(MoO₄)(SeO₃)

Pharit Piyawongwatthana¹, Kazuhiro Nawa¹, Stuart A Calder², Daisuke Okuyama¹, Taku J Sato¹

¹IMRAM, Tohoku University, Sendai, Japan; ²Neutron Scattering Division, Oak Ridge National Laboratory, USA

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Hyperfine interactions of ⁵⁷Fe nuclei in a weak ferromagnet FeBO₃

Nikita Snegirev¹, Sergey Starchikov¹, Igor Lyubutin¹, Ekaterina Smirnova¹, Mikhail Chuev², Sergey Yagupov³, Mark Strugatsky³, Olga Alekseeva¹

¹Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics” of Russian Academy of Sciences, Moscow, Russian Federation; ²Valiev Institute of Physics and Technology RAS, Moscow, Russia; ³Physics and Technology Institute, V.I. Vernadsky Crimean Federal University, Simferopol, Russia

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Synthesis and characterization of mullite-type NdMnTiO₅: structural, spectroscopic, thermogravimetric and magnetic properties analyses

Kowsik Ghosh¹, M. Mangir Murshed^1,3, Debabrata Nayak¹, Thomas Frederichs², Thorsten M. Gesing^1,3

¹University of Bremen, Institute of Inorganic Chemistry and Crystallography, Leobener Straße 7, D-28359 Bremen, Germany; ²University of Bremen, Faculty of Geosciences, D-28359 Bremen, Germany; ³MAPEX Center for Materials and Processes, Bibliothekstraße 1, Universität Bremen, D-28359 Bremen, Germany

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Rare-earth dodecaborides: still cubic or not?

Olga N. Khrykina¹, Alexander P. Dudka¹, Nadezhda B. Bolotina¹, Natalya Yu. Shitsevalova², Nikolay E. Sluchanko³

¹FSRC “Crystallography and Photonics” RAS, Moscow, Russian Federation; ²Institute for Problems of Materials Science, NASU, Kyiv, Ukraine; ³Prokhorov General Physics Institute, RAS, Moscow, Russian Federation

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Frustrated magnets with chemically tailorable interactions

Alasdair J. Bradford^1,2, Wenjiao Yao¹, Ivan de Silva³, Mark Telling³, Tatiana Guidi³, Manh Duc Li³, Stephen L. Lee², Philip Lightfoot¹

¹School of Chemistry, University of St Andrews, St Andrews, United Kingdom; ²School of Physics and Astronomy, University of St Andrews, St Andrews, United Kingdom; ³ISIS Neutron and Muon Source, STFC RAL, Didcot, UK

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One-dimensional coordination polymers based on cobalt(II) and nickel(II)

Ana Karina Seguin^1,2, Carlos Cruz^1,2, Diego Venegas-Yazigi^2,3, Verónica Paredes-García^1,2

¹Andres Bello, Departamento de Ciencias Químicas, Santiago, Chile; ²Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Santiago, Chile; ³Departamento de Ciencia de los Materiales, Universidad de Santiago de Chile, Santiago, Chile

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Structural and magnetic investigations of post-perovskite thiocyanate frameworks

Madeleine Geers^1,2, Laura Cañadillas Delgado², Oscar Fabelo², Matthew Cliffe¹

¹School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK; ²Institut Laue-Langevin, 71 Avenue des Martyrs, CS 20156, 38042 Grenoble Cedex 9, FRANCE

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Magnetic aspects and assemblies of solvent-mediated layered manganese dicarboxylate based coordination polymers

Bharti Singh¹, Madhulika Mazumdar², Balendra .¹, Sundaresan Athinarayanan², Swapan Kumar Pati², Arunachalam Ramanan*¹

¹Indian Institute of Technology Delhi, Delhi, India; ²Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru, India

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Crystal structure and magnetism in Nd_1-xSr_xFeO₃ (0.1≦x≦0.9)

Charles Herve Marie Hervoches¹, Hiroshi Nakatsugawa²

¹Nuclear Physics Institute, v.v.i., CAS, Řež, Czech Republic; ²Yokohama National University, Japan

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Intermetallic compounds containing f-elements: synthesis of some of the compounds from the system R₂TGe₆ (R=Dy, Er; T=Ni, Cu, Pd)

Cinthia Antunes Corrêa^1,2, Markéta Jarošová¹, António Pereira Gonçalves³, Margarida Sousa Henriques¹

¹Academy of Sciences of the Czech Republic, Prague, Czech Republic; ²Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic; ³Instituto Superior Técnico, Universidade de Lisboa, Portugal

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Poster session abstracts

Radomír Kužel

Low-dose imaging of metal-organic frameworks and study of their electron-beam stability

Asma Mansouri¹, Georges Mouchaham¹, Gilles Patriarche², Christian Serre¹

¹Institut des matériaux poreux de Paris, Ecole normale supérieure, ESPCI, CNRS, PSL University, Paris, France; ²Center for Nanoscience and Nanotechnology, C2N UMR 9001, CNRS, Université Paris Sud, Université Paris Saclay, Palaiseau, France

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Biophysical and preliminary crystallographic studies of Lectin from Entada rheedii seeds

Sanjay Naik

Vellore Institute of Technology (VIT), Vellore, India

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Ternary coordination compounds of copper with amino acids and 1,10-phenanthroline –structural insight and biological activity

Biserka Prugovečki, Darko Vušak, Katarina Ležaić, Mia Jurković

Faculty of Science, University of Zagreb, Zagreb, Croatia

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Use of alkylarsonium cations as probe molecules for the study of zeolites

J. L. Jorda¹, S. Saez-Ferre¹, Ch. W. Lopes^1,2, J. Simancas¹, A. Vidal-Moya¹, T, Blasco¹, G. Agostini³, G. Minguez-Espallargas⁴, F. Rey¹, P. Oña-Burgos¹

¹Instituto de Tecnología Química (UPV-CSIC) Universitat Politècnica de València-Consejo Superior de Investigaciones Científicas, Valencia, SPAIN; ²LRC, Institute of Chemistry, Universidade Federal do Rio Grande do Sul, Porto Alegre, BRAZIL; ³ALBA Synchrotron Light Facility, Cerdanyola del Vallés, Barcelona, SPAIN; ⁴Instituto de Ciencia Molecular (ICMol), Universitat de València, Paterna, SPAIN

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Adsorption of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) emerging contaminants on Y and silver-Y exchanged zeolites using thermal analysis and X-ray diffraction facilities.

Maura Mancinelli, Francesco Colombo, Matteo Ardit, Annalisa Martucci

Department of Physics and Earth Sciences, University of Ferrara, Via Saragat 1, I-44121, Ferrara, Italy

Application of the Crystalline Sponge Method for Structure Determination of Persistent Organic Pollutants of Agrochemical Degradation Products

Takashi Kikuchi¹, Kazuhiro Takagi², Futa Sakakibara³, Takashi Sato¹

¹Rigaku Corporation, Tokyo, Japan; ²National Agriculture and Food Research Organization, Ibaraki, Japan; ³3Sigma-Aldrich Japan, Tokyo, Japan

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Breathing Mixed-ligand MOFs – solvent exchange and sorption studies

Nabanita Chatterjee, Nolwazi Gcwensa, Clive Lloyd Oliver

University of Cape Town, Rondebosch, South Africa

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Poster session abstracts

Radomír Kužel

In-situ time-resolved X-ray diffraction studies of crystalline materials under static mechanical load

Valentin Akkuratov^1,2, Eliovich Yan^1,2, Targonskiy Anton^1,2, Pisarevsky Yuri^1,2, Blagov Alexander^1,2, Kovalchuk Michail^1,2

¹National Research Center «Kurchatov Institute»; ²Federal Scientific Reearch Centre "Crystallography and photonics" RAS

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Synthesis and crystal growth of Rh(IV) oxides with double perovskite structure

Holub Tamara

IFW Dresden, Dresden, Germany

Single crystal to single crystal transformations in Co(II) dynamic framework

Christelle Noelle Dzesse Tekouo^1,2,3, Emmanuel Ngwang Nfor², Susan Ann Bourne³

¹Department of Mineral Engineering, School of Chemical Engineering and Mineral Industries, Ngaoundere, University of Ngaoundere; ²Department of Chemistry, University of Buea, Buea, Cameroon; ³Department of Chemistry Centre for Supramolecular Chemistry ResearchUniversity of Cape Town Rondebosch South Africa 7701

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Structure and Reactivity of Rhodium(I) Carbonyl complexes as Model Nano-Wired Assemblies and Catalyst

Pennie Petrus Mokolokolo, Marietjie Schutte-Smith, Alice Brink, Andreas Roodt

University of the Free State, Bloemfontein, South Africa

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Synthesis, crystal structure and catalytic oxidation studies of a new acid pyrophosphate metallate

Najlaa HAMDI, Mohamed AKOUIBAA, Rim Ben ali cherif, Brahim EL BALI, Mohammed LACHKAR

Faculty of Sciences, FES, Morocco

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Thin layer formation in TeO₂ single crystals due to migration of charge carriers

Anton Kulikov^1,2, Alexander Blagov^1,2, Nikita Marchenkov^1,2, Alexander Ilin³, Yury Pisarevsky^1,2, Mikhail Kovalchuk^1,2

¹National Research Center “Kurchatov Institute”, pl. akademika Kurchatova 1, Moscow, Russian Federation; ²Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics” Russian Academy of Sciences, Leninsky prospekt 59, Moscow, Russian Federation; ³Physics Department, Lomonosov Moscow State University, Leninskie Gory 1-2, Moscow, Russian Federation

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Photothermal high-speed crystal actuation and the simulation

Shodai Hasebe¹, Yuki Hagiwara¹, Jun Komiya¹, Meguya Ryu², Hiroki Fujisawa³, Junko Morikawa³, Tetsuro Katayama⁴, Daiki Yamanaka⁴, Akihiro Furube⁴, Hiroyasu Sato⁵, Toru Asahi^1,6, Hideko Koshima⁶

¹Graduate School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan; ²Research Institute for Material and Chemical Measurement, National Metrology Institute of Japan (AIST), Tsukuba Central 3, 1-1-1 Umezono, Tsukuba 305-8563, Japan; ³School of Materials and Chemical Technology, Tokyo Institute of Technology, Ookayama, Meguro-ku, Tokyo 152-8550, Japan; ⁴Department of Optical Science, Tokushima University, 2-1 Minamisanjyojima-cho, Tokushima-shi 770-8506, Japan; ⁵Rigaku Corporation, 3-9-12 Matasubara-cho, Akishima-shi, Tokyo 196-8666, Japan; ⁶Research Organization for Nano and Life Innovation, Waseda University, 513 Wasedatsurumaki-cho, Shinjuku-ku, Tokyo 162-0041, Japan

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Poster session abstracts

Radomír Kužel

Sc doped TiO₂ nanocrystals with core-shell morphology

Snejana Bakardjieva¹, Victor Zenou^2,3

¹Institute of Inorganic Chemistry AS CR, Rez, Czech Republic; ²Nuclear Research Center – Negev, P.O. Box 9001, 84190 Beer-Sheva, Israel; ³Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva, Israel

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Combined structural and electrical characterization of zirconia-based thin films for energy applications

Y. Mansilla¹, M. Arce^1,2, C. E. Jiménez², J. Basbus¹, D. M. Többens², A. Serquis¹

¹INN-CNEA-CONICET, Av. Bustillo 9500, S. C. de Bariloche, Río Negro, 8400, Argentina; ²Helmholtz-Zentrum Berlin für Materialien und Energie, Albert-Einstein-Str.15, 12489, Berlin, Germany.

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Understanding the gas sensing mechanism in vanadium doped tin oxides using X-ray diffraction and X-ray photoelectron spectroscopy

Nirman Chakraborty, Ambarish Sanyal, Sagnik Das, Debdulal Saha, Samar Kumar Medda, Swastik Mondal

CSIR Central Glass and Ceramic Research Institute, KOLKATA, India

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Grafen/CNT doped polymer based nano composites: RF Shielding properties of the nano composite coated fabric materials.

Mustafa Zafer Belirgen¹, Gözde Bayazit Sekitmen¹, Semra İde²

¹Department of Nanotechnology and Nanomedicine,Hacettepe University, Beytepe, Ankara 06800, Turkey; ²Department of Physics Engineering,Hacettepe University, Beytepe, Ankara 06800, Turkey

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Preparation and Characterization of Pd modified TiO₂ nanofiber catalyst for carbon–carbon coupling Heck reaction

Dickson Andala¹, Leah Nyangasi², Charles Onindo²

¹Multimedia University of Kenya, Nairobi, Kenya; ²Kenyatta University, Kenya

Impact of Co²⁺ substitution on microstructural evolution and magnetic properties of zinc ferrite nanoparticles synthesized by precipitation and hydrothermal-joint method

Mohammed S. M. Abdelbaky¹, Ahmed M. Abu-Dief^1,2, Santiago García-Granda¹

¹Departments of Physical and Analytical Chemistry, and Organic and Inorganic Chemistry University of Oviedo-CINN, 33006 Oviedo; ²Chemistry Department, Faculty of Science, Sohag University,82524 Sohag, Egypt

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High-purity crystalline silicon gels

Samantha L. Flores-Lopez², Lucia dos Santos-Gomez¹, Natalia Rey-Raap¹, Santiago Garcia-Granda¹, Ana Arenillas²