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: 28th Mar 2024, 04:11:57pm CET

 
Filter by Area or Type of Session 
Only Sessions at Date / Time 
 
 
Session Overview
Date: Wednesday, 18/Aug/2021
9:00am
-
9:50am
KN-16: MicroED: conception, practice and future opportunities
Location: Terrace 2A
Chair: Louisa Meshi

Tamir Gonen

 

MicroED: conception, practice and future opportunities

Tamir Gonen

KN-17: In-situ and In-operando diffraction Studies of Li Ion Battery Electrodes
Location: Terrace 2B
Chair: Radovan Cerny

Gwenaelle Rousse

 

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

Gwenaelle ROUSSE

KN-18: Electron density, and its interplay with the energy and properties of molecules and solids
Location: Club A
Chair: Catharine Esterhuysen

Julia Contreras-Garcia

 

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

Julia Contreras-García

 
9:50am
-
10:20am
Morning break 4: Exhibition, posters, coffee/tea
Location: Exhibition and poster area
10:20am
-
12:45pm
MS-41: Macromolecular machines and hybrid methods to crystallography
Location: Club B
Chair: Michael Landsberg
Chair: Dmitry Svergun

Invited: Kristina Djinovic-Carugo (Austria), Tanmay Bharat (India)

 
10:20am - 10:25am

Introduction to session

Michael Landsberg, Dmitry Svergun



10:25am - 10:55am

Structural biology of prokaryotic cell surfaces

Tanmay Bharat



10:55am - 11:25am

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

Kristina DJINOVIC CARUGO



11:25am - 11:45am

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

Tomáš Kovaľ, Tomáš Kouba, Petra Sudzinová, Jiří Pospíšil, Barbora Brezovská, Jarmila Hnilicová, Hana Šanderová, Martina Janoušková, Michaela Šiková, Petr Halada, Michal Sýkora, Ivan Barvík, Jiří Nováček, Mária Trundová, Jarmila Dušková, Tereza Skálová, URee Chon, Katsuhiko S. Murakami, Libor Krásný, Jan Dohnálek



11:45am - 12:05pm

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

Andrey Gruzinov, Martin Schroer, Clement Blanchet, Karen Manalastas-Cantos, Alexey Kikhney, Nelly Hajizadeh, Florian Wieland, Florian Schulz, Daniel Franke, Cy Jeffries, Dmitri Svergun



12:05pm - 12:25pm

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

Fabiana San Martin, Kimberley H Gibson, Felipe Trajtenberg, Megan R Brady, Elsio A Wunder, Mathieu Picardeau, Ariel Mechaly, Albert I Ko, Charles V Sindelar, Alejandro Buschiazzo



12:25pm - 12:45pm

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

Yuri Zgadzay, Olga Kolosova, Artem Stetsenko, Konstantin Usachev, Shamil Validov, Andrey Rogachev, Albert Guskov, Marat Yusupov

MS-42: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction.
Location: Club A
Chair: Lars Redecke
Chair: Fasseli Coulibaly

Invited: Haruki Hasegawa (USA), Alexandra Ros (USA)

 
10:20am - 10:25am

Introduction to session

Lars Redecke, Fasseli Coulibaly



10:25am - 10:55am

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

Haruki Hasegawa



10:55am - 11:25am

Microfluidic Tools Reducing Sample Amount in Serial Crystallography with XFELs

Alexandra Ros



11:25am - 11:45am

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

Max T. B. Clabbers, Susannah Holmes, Timothy W. Muusse, Parimala Vajjhala, Sara J. Thygesen, Alpeshkumar K. Malde, Dominic J. B. Hunter, Tristan I. Croll, Leonie Flueckiger, Jeffrey D. Nanson, Md. Habibur Rahaman, Andrew Aquila, Mark S. Hunter, Mengning Liang, Chun Hong Yoon, Jingjing Zhao, Nadia A. Zatsepin, Brian Abbey, Emma Sierecki, Yann Gambin, Katryn J. Stacey, Connie Darmanin, Bostjan Kobe, Hongyi Xu, Thomas Ve



11:45am - 12:05pm

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

Sylvain Engilberge, Olivier Lemaire, Marie-Caroline Mueller, Filip Leonarski, Chia-Ying Huang, Takashi Tomizaki, Naohiro Matsugaki, Antoine Royant, Vincent Olieric, Meitian Wang, Tristan Wagner



12:05pm - 12:25pm

Protein crystallization assisted by the crystallophore.

Eric Girard, Zaynab Alsalman, Adeline Robin, Sylvain Engilberge, Amandine Roux, François Riobé, Olivier Maury



12:25pm - 12:45pm

Protein crystallisation in agarose gel, a cheap and versatile technique

Jose A. Gavira, Fiora Artusio, Albert Castellví, Roberto Pisano

MS-43: Solid state reactions and dynamics
Location: Terrace 2B
Chair: Franziska Emmerling
Chair: Javier Marti-Rujas

Invited: Hiroyoshi Ohtsu (Japan), Paolo Pio Mazzeo (Italy)

 
10:20am - 10:25am

Introduction to session

Franziska Emmerling, Javier Marti-Rujas



10:25am - 10:55am

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

Paolo Pio Mazzeo, Davide Balestri, Claudia Carraro, Nicola Demitri, Paolo Pelagatti, Alessia Bacchi



10:55am - 11:25am

Kinetic assembly of coordination networks creates flexible and functional materials

Hiroyoshi Ohtsu



11:25am - 11:45am

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 Schreyer, Gwilherm Nénert, Kerstin Forsberg, Claire V. Colin



11:45am - 12:05pm

Light- and temperature-induced linkage isomerism in a series of NiII, CuII and CoIII complexes in the solid state

Sylwia Ewa Kutniewska, Patryk Borowski, Krystyna Deresz, Radoslaw Kaminski, Adam Krowczynski, Wlodzimierz Buchowicz, Dominik Schaniel, Katarzyna Jarzembska



12:05pm - 12:25pm

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, Anton Targonskiy, Valentin Akkuratov, Yan Eliovich, Vahan Kocharyan, Anton Kulikov, Artur Movsisyan, Tigran Muradyan, Yuri Pisarevsky, Alexei Seregin, Mikhail Kovalchuk



12:25pm - 12:45pm

In situ control of Photochromic properties with dual photoreactive soft crystal

Akiko Sekine, Yuta Yamazaki, Masato Tanaka, Hidehiro Uekusa

MS-44: Beyond pure point diffraction: Theory and application of diffuse scattering
Location: Club H
Chair: Nicolae Strungaru
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



10:55am - 11:25am

Mean field theory calculations to model single crystal diffuse scattering

Ella Mara Schmidt, Johnathan Bulled, Andrew Goodwin



11:25am - 11:45am

KOSSEL LINES AND X-RAY LOCALIZED CONICAL MODES

Vladimir Alekseevich Belyakov



11:45am - 12:05pm

Characterization of the correlated disorder in Ge2Bi4Te7

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



12:05pm - 12:25pm

Tuning of disordered local structure in Prussian Blue analogues

Yevheniia Kholina, Arkadiy Simonov



12:25pm - 12:45pm

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

Yuanpeng Zhang

MS-45: Frustrated magnetic order and emerging science
Location: Club C
Chair: Romain Sibille
Chair: Geetha Balakrishnan

Invited: Beauvois Ketty (France), Nicolas Gauthier (USA)

 
10:20am - 10:25am

Introduction to session

Roman Sibille, Geetha Balakrishnan



10:25am - 10:55am

Dimer physics in the frustrated Cairo pentagonal antiferromagnet Bi2Fe4O9

Ketty Beauvois, Virginie Simonet, Sylvain Petit, Julien Robert, Frédéric Bourdarot, Marin Gospodinov, Sacha Mukhin, Rafik Ballou, Vassil Skumryev, Eric Ressouche



10:55am - 11:25am

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

Nicolas Gauthier



11:25am - 11:45am

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

Stuart Calder, Amanda Haglund, Yaohua Liu, Daniel Pajerowski, Huibo Cao, Travis Williams, Alexander Kolesnikov, Vasile Garlea, David Mandrus



11:45am - 12:05pm

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

Johnathan M. Bulled, Joseph A. M. Paddison, Andrew Wildes, Elsa Lhotel, Breogan Pato-Doldan, L. Claudia Gomez-Aguirre, Paul J. Saines, Andrew L. Goodwin



12:05pm - 12:25pm

Investigating Kosterlitz-Thouless physics in the triangular lattice antiferromagnet TmMgGaO4

Benjamin A. Frandsen, Zhiling Dun, Raju Baral, Martin Mourigal



12:25pm - 12:45pm

Nanoscale distortions and ground state selection in geometrically frustrated magnets

Alexandros Lappas, Benjamin Frandsen, Emil Bozin

MS-46: In-situ and in operando studies of battery materials
Location: Club D
Chair: Vanessa Kate Peterson
Chair: Claire Villevieille

Invited: Karena Chapman (USA), Sandrine Lyonnard (France)

 
10:20am - 10:25am

Introduction to session

Vanessa Kate Peterson, Claire Villevieille



10:25am - 10:55am

Dynamic heterogeneity in transition metal oxide cathodes

Karena Chapman



10:55am - 11:25am

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

Sandrine Lyonnard, Samuel Tardif



11:25am - 11:45am

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

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



11:45am - 12:05pm

Powerful SAS techniques for operando analysis of battery materials

Eneli Härk, Ben Kent, Sebastian Risse, Rafael Müller, Matthias Ballauff, Yan Lu



12:05pm - 12:25pm

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

Kosuke Suzuki, Shunta Suzuki, Yuji Otsuka, Naruki Tsuji, Kirsi Jalkanen, Jari Koskinen, Kazushi Hoshi, Ari-Pekka Honkanen, Hasnain Hafiz, Yoshiharu Sakurai, Mika Kanninen, Simo Huotari, Arun Bansil, Hiroshi Sakurai, Bernardo Barbiellini



12:25pm - 12:45pm

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

Mylene Hendrickx, Joke Hadermann

MS-47a: Nanocrystalline materials I
Location: 223-4
Chair: Cinzia Giannini
Chair: Jinong Zhu

Invited: Junliang Sun (China), Ulf Olsson (Sweden)

 
10:20am - 10:25am

Introduction to session

Cinzia Giannini, Jinong Zhu



10:25am - 10:55am

The colloidal structure of a regenerated cellulose fiber

Ulf Olsson, Marta Gubitosi, Shirin Asaadi, Herbert Sixta, Luigi Gentile, Cinzia Giannini



10:55am - 11:25am

Structure determination of nanocrystals

Junliang Sun



11:25am - 11:45am

Thermal disorder and mechanical anisotropy in nanocrystals

Alberto Leonardi, Matteo Leoni, Michael Engel



11:45am - 12:05pm

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

Stefan Neumann, Martin Rudolph, Christina Menter, Ahmed Salaheldin Mahmoud, Doris Segets, David Rafaja



12:05pm - 12:25pm

Spinel ferrite nanoparticles in core shell architecture for heat release

Marco Sanna Angotzi, Valentina Mameli, Claudio Cara, Anna Musinu, Claudio Sangregorio, Jana Vejpravova, Carla Cannas



12:25pm - 12:45pm

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

Nabila Jarmouni, Francesco Pineider, Marco Tomaiuolo, Said Benmokhtar

MS-48: Combination of X-rays and electrons for structure characterization
Location: Terrace 2A
Chair: Joke Hadermann
Chair: Junliang Sun

Invited: Stef Smeets (Netherlands), Tatiana Gorelik (Germany)

 
10:20am - 10:25am

Introduction to session

Joke Hadermann, Junliang Sun



10:25am - 10:55am

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

Tatiana Gorelik



10:55am - 11:25am

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

Stef Smeets



11:25am - 11:45am

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

Yaşar Krysiak, Marcel Maslyk, Bruna N. N. Silva, Sergi Plana-Ruiz, Hipassia M. Moura, Erica O. Munsignatti, Viviane S. Vaiss, Ute Kolb, Wolfgang Tremel, Lukáš Palatinus, Alexandre A. Leitão, Bernd Marler, Heloise O. Pastore



11:45am - 12:05pm

Structure and stability of δ-indomethacin

Iryna Andrusenko, Enrico Mugnaioli, Mauro Gemmi, Arianna E. Lanza, Victoria Hamilton, Charlie L. Hall, Jason Potticary, Simon R. Hall, Anna M. Piras, Ylenia Zambito



12:05pm - 12:25pm

A Novel High-Pressure Tin Oxynitride Sn2N2O

Philipp Gollé-Leidreiter, Leonore Wiehl, Shrikant Bhat, Ute Kolb, Ralf Riedel



12:25pm - 12:45pm

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

Emre Yörük, Holger Klein, Stephanie Kodjikian

SF-3: Software Fayre 3
Location: 221-2
Chair: Martin Lutz
Chair: Claudia Millán
 
10:20am - 11:05am

Olex2

Horst Puschmann



11:05am - 11:50am

NoSpherA2: non-spherical form factors in Olex2

Florian Kleemiss



lamaGOET - an interface for quantum crystallography

Lorraine Andrade Malaspina

         
12:45pm
-
2:45pm
Lunch 4: Exhibition, posters, lunches
Location: Exhibition and poster area
Meeting ECA2: ECA Council Meeting
Location: Club H
Chair: Udo Heinemann
Chair: Arie van der Lee

ECA council meeting 2

 
1:00pm
-
2:00pm
Workshop - Journals: Journal Author Workshop. From data to publication
Location: Club A
Chair: Andrew Allen
Chair: Michele Zema

Panelists: Elspeth Garman (Acta D); Chiara Massera (Acta E); Andrew Allen (Editor-in-Chief)

Managing editors and IUCr staff: Louise Jones (Acta D); Michele Zema (Executive Outreach Officer)

2:45pm
-
5:10pm
MS-49: Protein design and engineering
Location: Club A
Chair: Charlotte Uetrecht
Chair: Sheena McGowan

Invited: Elizabeth M.J. Gillam (Australia), Mauri Kostiainen (Finland)

 
2:45pm - 2:50pm

Introduction to session

Charlotte Uetrecht, Sheena McGowan



2:50pm - 3:20pm

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

Elizabeth M.J. Gillam, Raine E.S. Thomson, Stephlina A. D'Cunha, Kurt L. Harris, Gabriel Foley, Mikael Boden, Aaron G. Bart, Emily E. Scott



3:20pm - 3:50pm

Protein cage directed nanoparticle superlattices

Mauri Kostiainen



3:50pm - 4:10pm

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

Martin Marek, Klara Markova, Antonin Kunka, Klaudia Chmelova, Martin Havlasek, Petra Babkova, Sérgio Marques, Michal Vasina, Joan Iglesias-Planas, Radka Chaloupkova, David Bednar, Zbynek Prokop, Jiri Damborsky



4:10pm - 4:30pm

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

Joanna Loch, Agnieszka Klonecka, Kinga Kądziołka, Piotr Bonarek, Jakub Barciszewski, Krzysztof Lewiński, Mariusz Jaskolski



4:30pm - 4:50pm

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

Bram Mylemans, Arnout RD Voet



4:50pm - 5:10pm

Structural evidence for the bleaching caused by oxygen in rsCherry

Thi Yen Hang Bui, Benjamien Moeyaert, Ludovic Pecqueur, Bindu Srinivasu, Anastassios Economou, Marc Fontecave, Peter Dedecker, Luc Van Meervelt

MS-51: Molecular magnets and metal-organic frameworks including quantum crystallography approaches
Location: Club B
Chair: Jozef Kozisek
Chair: Verónica Paredes-García

Invited: Ivan Němec (Czech Republic), Lorraine Andrade Malaspina (France)

 
2:45pm - 2:50pm

Introduction to session

Jozef Kožíšek, Veronica Paredes-Garcia



2:50pm - 3:20pm

Semicoordination in Co(II) Single-Ion Magnets

Ivan Nemec, Ondrej Frantisek Fellner, Lubomír Havlíček, Radovan Herchel



3:20pm - 3:50pm

Quantum crystallography of systems with agostic interactions

Lorraine Andrade Malaspina, Simon Grabowsky



3:50pm - 4:10pm

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

Emil Andreasen Klahn, Andreas Munch Thiel, Iurii Kibalin, Arsen Gukasov, Jacob Overgaard



4:10pm - 4:30pm

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



4:30pm - 4:50pm

Magnetism of 2D Thiocyanates

Matthew James Cliffe, Madeleine Geers, Laura Cañadillas Delgado, Euan Bassey



4:50pm - 5:10pm

High-Pressure Studies of Single-Molecule Magnets

Andreas Munch Thiel, Marie Steenberg Norre, Jacob Overgaard

MS-52: Combining X-ray diffraction and spectroscopy to characterise materials
Location: Terrace 2A
Chair: Carlo Meneghini
Chair: Siegbert Schmid

Invited: Ilaria Carlomagno (Italy), Marco Giorgetti (Italy)

 
2:45pm - 2:50pm

Introduction to session

Carlo Meneghini, Siegbert Schmid



2:50pm - 3:20pm

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

Marco Giorgetti



3:20pm - 3:50pm

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

Ilaria Carlomagno, Jakub Drnec, Roberto Felici, Carlo Meneghini



3:50pm - 4:10pm

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



4:10pm - 4:30pm

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

Nicola Precisvalle, Annalisa Martucci, Costanza Bonadiman, Simone Pollastri, Chiaramaria Stani



4:30pm - 4:50pm

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, Caren Billing, David Billing, Deena Naidoo



4:50pm - 5:10pm

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

MS-53: Function and application of porous crystals
Location: Club C
Chair: Karena Chapman
Chair: Fernando Uribe-Romo
 
2:45pm - 2:50pm

Introduction to session

Karena Chapman, Fernando Uribe-Romo



2:50pm - 3:20pm

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

Je-Wei Chang, An-Chung Su, Ying−Huang Lai, U−Ser Jeng



3:20pm - 3:50pm

MOFs as hosts to analogues of complex magnetic phases

Emma H Wolpert, François-Xaiver Coudert, Andrew L Goodwin



3:50pm - 4:15pm

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

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



4:15pm - 4:40pm

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

Fausto Secci, Claudio Cara, Elisabetta Rombi, Marco Sanna Angotzi, Sarah Lai, Kai Skrodczky, Nicola Pinna, Mauro Mureddu, Carla Cannas

MS-54: Materials for energy conversion and storage
Location: Terrace 2B
Chair: Jean-Marc Joubert
Chair: Stefan Adams

Invited: Yaroslav Filinchuk (Belgium), Kent Griffith (USA)

 
2:45pm - 2:50pm

Introduction to session

Jean-Marc Joubert, Stefan Adams



2:50pm - 3:20pm

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

Yaroslav Filinchuk, Xiao Li, Iurii Dovgaliuk, Dmitry Chernyshov



3:20pm - 3:50pm

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

Kent J. Griffith, Kenneth R. Poeppelmeier



3:50pm - 4:10pm

Metal hydroborates as solid-state electrolytes

Radovan Cerny



4:10pm - 4:30pm

Atomistic modelling as a complementary tool for diffraction studies

Max Avdeev



4:30pm - 4:50pm

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



4:50pm - 5:10pm

Structure-properties correlations unlocked through exquisitely sensitive powder diffraction

Peter Khalifah

MS-55(47b): Nanocrystalline materials II
Location: 223-4
Chair: Cinzia Giannini
Chair: Jinong Zhu
 
2:45pm - 2:50pm

Introduction to session

Cinzia Giannini, Jinong Zhu



2:50pm - 3:20pm

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

Kenichi Kato, Kazuya Shigeta, Ryota Sato, Miho Yamauchi, Toshiharu Teranishi



3:20pm - 3:40pm

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



3:40pm - 4:00pm

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

Christopher Garvey, Stephen Mudie, Denis Music, Pär Olsson, Vitor Sencadas



4:00pm - 4:20pm

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

Songsheng Tao, Samira Shiri, Dan Kurtz, Nate James Cira, Bryan Hunter, Simon J. L. Billinge



4:20pm - 4:40pm

Controlling crystallization pathways and kinetics in multiferroic Bi2Fe4O9

Andrea Kirsch, Niels Lefeld, Mathias Gogolin, Soham Banerjee, Kirsten M. Ø. Jensen



4:40pm - 5:10pm

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

Songsheng Tao, Che Randy Nangah, Ketcha Joseph Mbadcam, Josepha Foba Tendo, Simon J. L. Billinge

MS-56: Analysis of the fine structure in electron diffraction data
Location: Club H
Chair: Tatiana Gorelik
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



3:20pm - 3:50pm

Local structure analysis by pair distribution function obtained from a TEM

Cheuk-Wai Tai



3:50pm - 4:10pm

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

Romy Poppe, Daphne Vandemeulebroucke, Reinhard B. Neder, Joke Hadermann



4:10pm - 4:30pm

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

Meng Ge, Zhehao Huang, Xiaodong Zou



4:30pm - 4:50pm

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

Yevgeny Rakita, James L. Hart, Partha Pratim Das, Stavros Nicolopoulos, Sina Shahrezaei, Suveen Nigel Mathaudhu, Mitra L. Taheri, Simon J. L. Billinge



4:50pm - 5:10pm

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

Peter Moeck

SMS-4: Using crystallography for education during the pandemic
Location: Club D
Chair: Oluwatoyin Asojo

Invited: Karsten Theis (USA)

 
2:45pm - 2:50pm

Introduction to session

Oluwatoyin Asojo



2:50pm - 3:20pm

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

Yakov Cherner, Oluwatoyin Asojo, Phillip Cherner, Yi He, Hamid Garmestani



3:20pm - 3:50pm

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

Karsten W Theis, Roderico Acevedo



3:50pm - 4:10pm

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

Radomír Kužel



4:10pm - 4:30pm

Using Zoom Webinar to Teach Advanced Topics in Crystallography

Joseph D. Ferrara, Simon Bates, Amanda Cochran, Mark Del Campo, Christian R. Göb, Florian Kleemiß, Pierre Le Maguerès, Jeff Lengyel, Mathias Meyer, Horst Puschmann, Keisuke Saito, Christian Schürmann, Alexandra Stanley, Paul N. Swepston, Fraser White, Jakub Wojciechowski



4:30pm - 4:50pm

COVID-proofing Biochemistry and engaging diverse students with Crystallography Research

Oluwatoyin Asojo



4:50pm - 5:10pm

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

Joe Tanski

           
2:55pm
-
5:55pm
SF-4: Software Fayre 4
Location: 221-2
Chair: Martin Lutz
 
2:55pm - 3:40pm

Open slot

Martin Lutz



3:40pm - 4:25pm

Atomic pair distribution function (PDF) in the cloud

Simon Billinge



4:25pm - 5:10pm

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

Simon Billinge



5:10pm - 5:55pm

Crystallography online by the Bilbao Crystallographic Server

Gemma de la Flor Martin, Mois I. Aroyo

5:10pm
-
6:10pm
Afternoon break 4: Poster session B2, exhibition, coffee/tea
Location: Exhibition and poster area
Poster - 23 Protein design: Protein design and engineering
Chair: Sheena McGowan
Chair: Charlotte Uetrecht

 

 

Poster session abstracts

Radomír Kužel



Engineering of protein nanocages for superlatttice formation and nanoparticle encapsulation

Tobias Beck



Structural characterization of the lid of lipase 2 of Pseudomonas alcaligenes

Elena Lizbeth Garcia-Villegas, Enrique Rudiño-Piñera, Liliana Pardo



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



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

Paulina Wróbel, Joanna Loch, Piotr Bonarek, Krzysztof Lewiński



SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies

Staf M. L. Wouters, David E. Clarke, Hiroki Noguchi, Steven De Feyter, Arnout R. D. Voet

Poster - 24 Crystallization: Crystallization
Chair: Duane Choquesillo-Lazarte

 

 

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



Dynamic theory of protein crystallization

Jindřich Hašek



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

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



Preparation of hemoglobin crystals of desired size

Xiaoqian Jin, Fengzhu Zhao, Renbin Zhou, Dachuan Yin



Batch crystallisation methods for serial crystallography experiments

John H. Beale, May E. Sharpe



Exploring Structural Implications of diphosphinamine ligands in Medicine and Catalysis

Dumisani Kama, Alice Brink, Roger Alberto, Andreas Roodt



Combining RMC and PDF methods to characterize amorphous drug

Vinicius Danilo Nonato Bezzon, João Cardoso de Lima, Fabio Furlan Ferreira



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

Lerato Bosman, Alice Brink, Dumisani Kama



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

Sanjukta Pahar, Sakya S. Sen

Poster - 25 Electron: Electron crystallography
Chair: Petr Brazda

 

 

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



An electron diffractometer : A novel device for electron crystallography experiments

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



Synergy ED: A new electron diffractometer for microED

Fraser White, Akihito Yamano, Sho Ito, Takashi Matsumoto, Hiroyasu Sato, Joseph Ferrara, Mathias Meyer, Michał Jasnowski, Eiji Okunishi, Yoshitaka Aoyama



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

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



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

Hilke Petersen, Niklas Stegmann, Michael Fischer, Bodo Zibrowius, Wolfgang Schmidt, Martin Etter, Claudia Weidenthaler



Effect of nano-SiC doping on the structure and superconducting properties of Mg (B1-xCx) 2

Mauro Melone, Cesar Sobrero, Horacio Troiani, María Teresa Malachevsky, Adriana Serquis



Investigating structure transformations of LaxSr2-xMnO4-δ using in situ 3D electron diffraction in a gas environment

Daphne Vandemeulebroucke, Maria Batuk, Joke Hadermann



Investigating nanoparticle surface energetics using 4D-STEM

Bryan David Esser, Alison M Funston, Joanne Etheridge



Simulation of electron diffraction patterns of organic crystals under continuous rotation

Tarik Ronan Drevon



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

Christoph Grininger, Gerhard Hofer, Hongyi Xu, Xiaodong Zou, Tea Pavkov-Keller



Machine Learning Calculation of Large Angle Convergent Beam Electron Diffraction Patterns

Richard Beanland



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

Kunal Kumar Jha, Barbara Gruza, Michał Chodkiewicz, Christian Jelsch, Paulina Dominiak

Poster - 26 Spectroscopy: Combining X-Ray Diffraction and Spectroscopy to Characterise Materials
Chair: Carlo Meneghini
Chair: Siegbert Schmid
 

Poster session abstracts

Radomír Kužel



Structure of ferroelectric low temperature phase of yttrium manganate YMn2O5 revisited

Tina Weigel, Carsten Richter, Melanie Nentwich, Matthias Zschornak, Dirk C. Meyer



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

Andre L. C. Conceição, Sylvio Haas, Volkmar Müller, Eike Burandt, Malte Mohme



Refractory materials structural and surface changes by sulfuric acid treatment

Enida Nushi, Lorenci Gjurgjaj, Altin Mele



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

DIGVIJAY NATH DUBEY, GURVINDERJIT SINGH, SAURABH TRIPATHI



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

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



Vibrational spectroscopy as a confirmation method for structural analysis

A. S. Abdel-Rahman, S. Kamal Abdel-Aal, Gyula Faigel, Katalin Kamaras, Bortel Gábor, Arron Pekker

Poster - 27 Magnetism: Magnetic structures, magnetic materials

 

 

Poster session abstracts

Radomír Kužel



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

Rasmus Degn



The magnetic materials beamlines at Diamond Light Source

Dan Porter



Symmetry breaking and Optical property of high-temperature superconductor Bi2Sr2CaCu2O8+δ

Kun Zhang, Masataka Matsumoto, Kenta Nakagawa, Azusa Matsuda, Genki Shiro, Toru Asahi



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

Rodolfo Tartaglia, Fabiana Rodrigues Arantes, Carlos William Galdino, Danilo Rigitano, Ulisses Ferreira Kaneko, Marcos de Abreu Avila, Eduardo Granado



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

SRIKANTA GOSWAMI, Babu P D, Rajeev Rawat



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

Pharit Piyawongwatthana, Kazuhiro Nawa, Stuart A Calder, Daisuke Okuyama, Taku J Sato



Hyperfine interactions of 57Fe nuclei in a weak ferromagnet FeBO3

Nikita Snegirev, Sergey Starchikov, Igor Lyubutin, Ekaterina Smirnova, Mikhail Chuev, Sergey Yagupov, Mark Strugatsky, Olga Alekseeva



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

Kowsik Ghosh, M. Mangir Murshed, Debabrata Nayak, Thomas Frederichs, Thorsten M. Gesing



Rare-earth dodecaborides: still cubic or not?

Olga N. Khrykina, Alexander P. Dudka, Nadezhda B. Bolotina, Natalya Yu. Shitsevalova, Nikolay E. Sluchanko



Frustrated magnets with chemically tailorable interactions

Alasdair J. Bradford, Wenjiao Yao, Ivan de Silva, Mark Telling, Tatiana Guidi, Manh Duc Li, Stephen L. Lee, Philip Lightfoot



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

Ana Karina Seguin, Carlos Cruz, Diego Venegas-Yazigi, Verónica Paredes-García



Structural and magnetic investigations of post-perovskite thiocyanate frameworks

Madeleine Geers, Laura Cañadillas Delgado, Oscar Fabelo, Matthew Cliffe



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

Bharti Singh, Madhulika Mazumdar, Balendra ., Sundaresan Athinarayanan, Swapan Kumar Pati, Arunachalam Ramanan*



Crystal structure and magnetism in Nd1-xSrxFeO3 (0.1≦x≦0.9)

Charles Herve Marie Hervoches, Hiroshi Nakatsugawa



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, Markéta Jarošová, António Pereira Gonçalves, Margarida Sousa Henriques

Poster - 28 Porous: Porous materials
Chair: Karena Chapman
Chair: Fernando Uribe-Romo

 

 

Poster session abstracts

Radomír Kužel



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

Asma Mansouri, Georges Mouchaham, Gilles Patriarche, Christian Serre



Biophysical and preliminary crystallographic studies of Lectin from Entada rheedii seeds

Sanjay Naik



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



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

J. L. Jorda, S. Saez-Ferre, Ch. W. Lopes, J. Simancas, A. Vidal-Moya, T, Blasco, G. Agostini, G. Minguez-Espallargas, F. Rey, P. Oña-Burgos



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



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

Takashi Kikuchi, Kazuhiro Takagi, Futa Sakakibara, Takashi Sato



Breathing Mixed-ligand MOFs – solvent exchange and sorption studies

Nabanita Chatterjee, Nolwazi Gcwensa, Clive Lloyd Oliver

Poster - 29 Solid state: Solid state reactions and dynamics
Chair: Javier Marti-Rujas
Chair: Franziska Emmerling

 

 

Poster session abstracts

Radomír Kužel



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

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



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

Holub Tamara



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

Christelle Noelle Dzesse Tekouo, Emmanuel Ngwang Nfor, Susan Ann Bourne



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



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



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

Anton Kulikov, Alexander Blagov, Nikita Marchenkov, Alexander Ilin, Yury Pisarevsky, Mikhail Kovalchuk



Photothermal high-speed crystal actuation and the simulation

Shodai Hasebe, Yuki Hagiwara, Jun Komiya, Meguya Ryu, Hiroki Fujisawa, Junko Morikawa, Tetsuro Katayama, Daiki Yamanaka, Akihiro Furube, Hiroyasu Sato, Toru Asahi, Hideko Koshima

Poster - 30 Nano: Nanomaterials
Chair: Cinzia Giannini
Chair: Jinong Zhu

 

 

Poster session abstracts

Radomír Kužel



Sc doped TiO2 nanocrystals with core-shell morphology

Snejana Bakardjieva, Victor Zenou



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

Y. Mansilla, M. Arce, C. E. Jiménez, J. Basbus, D. M. Többens, A. Serquis



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



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

Mustafa Zafer Belirgen, Gözde Bayazit Sekitmen, Semra İde



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

Dickson Andala, Leah Nyangasi, Charles Onindo



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

Mohammed S. M. Abdelbaky, Ahmed M. Abu-Dief, Santiago García-Granda



High-purity crystalline silicon gels

Samantha L. Flores-Lopez, Lucia dos Santos-Gomez, Natalia Rey-Raap, Santiago Garcia-Granda, Ana Arenillas



Structure identification of Fe-FexOy core shell nanoparticles and their time stability

Tereza Vaclavu, Jan Filip, Daniel Niznansky, Michal Vaclavu, Jan Endres, Milan Dopita, Stanislav Danis



A novel electrolytic method of preparing Nano sized α-Ferric oxide from scrap iron

Prabal Dasgupta, Elias Tadesse, Ismail Kamil, Adem Ahmed



Impacts of mutual phase interactions on piezoelectric and dielectric properties

Kun-Ta Lin, Chia-Hung Pan, Wet-ting Li, Jr-jeng Ruan



Growth and stability of SmS-TaS2 nanotubes studied by XAFS and DAFS methods.

Azat Khadiev, Madhenahalli-Bhyrappa Sreedhara, Reshef Tenne, Dmitri Novikov



Fast Debye equation calculation on graphics processing units - GPU used for calculation and fitting of nanoparticles real structure

Milan Dopita, Lukáš Horák, Václav Holý, Martin Rudolph

Poster - 31 Total: Total scattering
Chair: Emil Bozin
Chair: Pierre Bordet

 

 

Poster session abstracts

Radomír Kužel



Temperature and composition evolution of lattice, charge density wave and superconducting orders in Ta-based dichalcogenides by total x-ray scattering

Valeri Petkov



Single-crystal total scattering meets metal–organic frameworks: deciphering the elusive structure of ZIF-90

Stefano Canossa, Ruggero Frison, Xiaokun Pei, Hans-Beat Bürgi



PDF Analysis of Crystalline and Amorphous Materials on a Home Laboratory Diffractometer

Joseph Ferrara, Pierre Le Maguerès, Christian Schürmann, Mathias Meyer, Jakub Wojciechowski, Simon Bates



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

Yuanpeng Zhang



Studying local order in ferroelectric oxide superlattices with three-dimensional diffuse X-ray scattering

Joohee Bang, Nives Strkalj, Martin Sarott, Morgan Trassin, Thomas Weber



Characterization of C-S-H gels by pair distribution function analysis

Ana Cuesta, Alejandro Morales-Cantero, Angeles G. De la Torre, Isabel Santacruz, Miguel A.G. Aranda

Poster - 32 Theory: Theoretical crystallography

 

 

Poster session abstracts

Radomír Kužel



Algebraic analysis of topological domain-interface defects in crystals

James H. McKenzie, Branton J. Campbell



Local structure representation beyond symmetry constraints: Glazer tilts in perovskites

Sandra H. Skjaervoe, Simon J. L. Billinge



A comparative research between atomic-based and chemical calculation-based descriptor for cocrystal screening machine learning model

Yingquan Hao, Ying-Chieh Hung, Yusuke Shimoyama



SPECIFIC WATER STRUCTURE IN A GEO-INSPIRED NANOTUBE AND INTERRELATED DYNAMICS

Geoffrey Monet, Arianna D'Angelo, Erwan Paineau, Gilberto teobaldi, Stéphane Rols, Pascale Launois



Dynamical effects in the integrated X-ray scattering intensity from single crystals with microdefects in Bragg diffraction geometry

Sergey Dmitriev, Vadim Molodkin, Stepan Olikhovskii, Vyacheslav Lizunov



Result of using atoms and centrosymmetric cubic space groups

Pui Sum Yuen



Determination of structure of CoS2 by the means of a simple new method; a solution to the phase problem for centrosymmetric cubic crystals

Pui Sum Yuen

     
6:10pm
-
7:00pm
KN-19: X-ray absorption spectroscopy and materials science: recent advances
Location: Terrace 2A
Chair: Giuliana Aquilanti

Federico Boscherini

 

X-ray absorption spectroscopy and materials science: recent advances

Federico Boscherini

KN-20: The benefits of Scanning Precession Electron Diffraction to access to the crystallographic phases and orientations of nanomaterials
Location: Terrace 2B
Chair: Louisa Meshi

Edgar Rauch

 

The benefits of Scanning Precession Electron Diffraction to access to the crystallographic phases and orientations of nanomaterials

Edgar F Rauch

KN-21: How limitless antibodies are generated by V(D)J recombination
Location: Club A
Chair: Marcin Nowotny

Wei Yang

 

How limitless antibodies are generated by V(D)J recombination

Wei Yang, Xuemin Chen, Min-sung Kim, Martin Gellert

 
8:00pm
-
10:00pm
Boat trip: Boat trip with raut

Extra fee

More


 
Contact and Legal Notice · Contact Address:
Privacy Statement · Conference: IUCr 2021 | August 14 - 22, 2021 | Prague, Czech Republic
Conference Software: ConfTool Pro 2.8.101+TC+CC
© 2001–2024 by Dr. H. Weinreich, Hamburg, Germany