Fabrication and characterization of inhomogeneity-free polymer gels

Mitsuhiro Shibayama, Xiang Li, Yui Tsuji, Masato Ohira

The science of symmetry breaking: A personal journey

Harold T Stokes

Metadata and checkCIF for raw diffraction data and their role in realising crystallographic science objectivity

Loes M.J. Kroon-Batenburg

Introduction to session

Alice Douangamath, Lisa J. Keefe

Fragment-Based Discovery of Orally Efficacious Allosteric Inhibitors of TNF-alpha

Kenton Longenecker

FragLites: a library of small molecules incorporating anomalous scatterers with applications in screening and protein interaction mapping

Martin E M Noble, Jane Endicott, Gemma Davison, Ian Hope, Mathew P Martin, Duncan Miller, Natalie Tatum, Max Temple, Shannon Turberville, James Sanderson, Dan Wood, Mike Waring

Using sound pulses to solve the crystal harvesting bottleneck

Yasmin Samara, Haley Brennan, Liam McCarthy, Mary Bollard, Denise Laspina, Jakub Wlodek, Stefanie Campos, Ramya Natarajan, Kazimierz Gofron, Sean McSweeney, Alexei Soares, Ludmila Leroy

High throughput approach to prepare high-density microcrystals in lipidic cubic phase for serial crystallography and fragment screening

Isabel Moraes, Danny Axford, Agata Butryn, Pierre Aller, Tristan Kwan, Peter J Judge

Fragment-based development of bacterial DsbA inhibitors as novel anti-virulence agents

Geqing Wang, Wesam Alwan, Matthew Bentley, Biswaranjan Mohanty, Bradley Doak, Rabeb Dhouib, Makrina Totsika, Benvenuto Capuano, Peter Scammells, Jennifer Martin, Martin Scanlon, Begoña Heras

Efficiently from Library to Hit – Crystallographic Fragment Screening in Berlin via Structurally Diverse Compound Libraries

Jan Wollenhaupt, Tatjana Barthel, Alexander Metz, Gustavo M.A. Lima, Dirk Wallacher, Elmir Jagudin, Tobias Krojer, Christian G. Feiler, Uwe Mueller, Gerhard Klebe, Manfred S. Weiss

Introduction to session

Angela Altomare

Wrong organic crystal structures solved and refined from powder data

Martin U. Schmidt, Viktoria Gramakov, Carina Schlesinger, Lukas Tapmeyer

Probing Chemical Short-range Order and other Nanoscale Motifs in the Solid State

Katharine Page

Multiscale structural decoding of fibrous materials by SAXS and WAXD

Antonia Neels, Alex Dommann, Anjani Maurya

Polarized resonant soft X-ray scattering measurements in polymer-grafted nanoparticles

Dean DeLongchamp

Understanding Order and Correlation in Liquid Crystals by Fluctuation Scattering

Jack Binns, Patick Adams, Cameron M. Kewish, Tamar L. Greaves, Andrew V. Martin

Using the Pair Angle Distribution Function for Analysing Protein Structure

Patrick Leslie Raphael Adams, Jack Binns, Tamar L. Greaves, Andrew V Martin

Introduction to session

Mitsuhiro Shibayama, Jrjeng Ruan

Metastable structures, interplay of sequential deformations, and interactions between tungsten disulfide nanotubes and poly(L-lactide) studied by in situ X-ray scattering

Julia Kornfield

Kinetics of mesoglobule formation and disintegration in solutions of thermoresponsive polymers after fast pressure jumps

Christine Papadakis, Bart-Jan Niebuur, Leonardo Chiappisi, Florian A. Jung, Xiaohan Zhang, Alfons Schulte

Aggregation States and Proton Conductivity in Perfluorosulfonic Acid Thin Films under Humidity Condition

Daisuke Kawaguchi, Shigeki Yonemori, Yudai Ogata, Noboru Miyata, Tessei Yoshida, Tsukasa Miyazaki, Hiroyuki Aoki, Keiji Tanaka

Exploring the formation of Hf metal-organic frameworks

Francesca Catherine Firth, Michael Gaultois, Yue Wu, Joshua Stratford, Dean Keeble, Clare Grey, Matthew Cliffe

Transient Domain Structure of Coalescence-Induced Self-Organization in Droplet Phase Separation

Che-Min Chou, Wei-Tsung Chuang, Po-Da Hong

SAXS-revealed nanostructures of poly(ethylene glycol)-grafted phospholipid vescicles

Chun-jen Su

Structural insights into the transposition of antibiotic resistance

Georgy Smyshlyaev, Buse Isbilir, Carlos Rojas-Cordova, Anna Rubio-Cosials, Lotte Lambertsen, Alex Bateman, Orsolya Barabas

Extraordinary Structures of Orphan Methyltransferases with Their Substrate DNA

John Horton, Jujun Zhou, Clayton Woodcock, Xing Zhang, Xiaodong Cheng

Structural and mechanistic basis for protein glutamylation by the kinase fold

Diana R. Tomchick, Miles H. Black, Adam Osinski, Krzysztof Pawłowski, Marcin Gradowski, Zhe Chen, Yang Li, Kelly A. Servage, Vincent S. Tagliabracci

Mechanism of RNA stimulated ATP hydrolysis by tick-borne encephalitis virus NS3 helicase

Paulina Duhita Anindita, Pavel Grinkevich, Marco Halbeisen, Roman Tuma, Zdenek Franta

Quinol-dependent Nitric Oxide Reductases are dimers in cryoEM structures

Samar Hasnain

Interactive GUI for the calculation of Fobs-Fobs electron density difference maps and extrapolated structure factors based on the cctbx toolbox

Elke De Zitter, Nicolas Coquelle, Thomas Barends, Jacques-Philippe Colletier

Introduction to session

Giuseppe Resnati, Petra Bombicz

Understanding s- and π-hole centered interactions in crystals from electron density analysis

Deepak Chopra

Harnessing non-covalent interactions towards the isolation of novel actinide structural units

Karah E Knope

Stacking interactions of chelate rings of transition metal complexes

Dušan P. Malenov, Snežana D. Zarić

Activating chalcogen bonding in alkylseleno/alkyltelluro acetylenes: Helical arrangements and crystal engineering strategies

Arun Dhaka, Olivier Jeannin, Ie-Rang Jeon, Emmanuel Aubert, Enrique Espinosa, Marc Fourmigué

Hydrogen bond architecture in a series of allylamine and normal alcohols (C₁-C₁₀) cocrystals.

Bernadeta Prus, Roland Boese, Michał Cyrański, Janusz Zachara, Łukasz Dobrzycki

Expanding the crystal form landscape: emerging computational tools for the discovery of eutectic composites and higher-order cocrystals of organic compounds

Zeinab M. Saeed, Bhausaheb Dhokale, Abeer F. Shunnar, Durga P. Karothu, Pance Naumov, Hector H. Hernandez, Sharmarke Mohamed

Introduction to session

Igor Huskić, Tomoji Ozeki

Discrete polyoxometalates: from geochemistry via crystal engineering to functional materials

Ulrich Kortz

Exploration of organic minerals on Saturn’s moon Titan

Helen Maynard-Casely, Rob Hodyss, Tuan Vu, Michael Malaska, Mathieu Choukroun, Morgan Cable, Tom Runčevski

A Crystal Flask Composed of Huge Cage-of-Cage Metallosupramolecules for the Formation of Polyoxomolybdate

Tatsuhiro Kojima, Benny Wahyudianto, Takumi Konno

Autonomous Recombination and Selfhealing of Fracture in Piezoelectric Organic Crystals: Scopes in Crystal Engineering

Surojit Bhunia, Chilla Malla Reddy

Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method.

Faiza Habib, Derek Tocher, Claire Carmalt

Correlated Linker Disorder in Metal-Organic Frameworks

Emily Gabrielle Meekel

Introduction to session

Marco Giorgetti, Paula Macarena Abdala

Multivariate analysis of X-ray diffraction and XAFS data

Rocco Caliandro, Annamaria Mazzone, Benny Danilo Belviso, Pietro Guccione, Marco Milanesio, Luca Palin, Mattia Lopresti

Advanced methods for the study of chemical systems by X-ray Absorption Spectroscopy

Paola D'Angelo

Analysis of XANES spectra for tektites using machine learning algorithms

Alexander Guda, Sergey Guda, Andrea Martini, Antonina Kravtsova, Liubov Guda, Alexander Algasov, Alexander Soldatov

Treatment of disorder effects in X-ray absorption spectra by reverse Monte-Carlo simulations: CuMoO₄ case

Inga Pudza, Alexei Kuzmin

Novel advanced methods in XAS – XERT and Hybrid Techniques

Christopher Thomas Chantler

Machine learning applied to operando XANES spectroscopy for Pd nanocatalysts

Oleg Usoltsev, Aram Bugaev, Alina Skorynina, Sergey Guda, Alexander Guda, Alexander Soldatov

Introduction to session

Alice Brink, Serena Chiara Tarantino

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

Diego Germán Lamas

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

Marielle Yasmine AGBAHOUNGBATA, Sourou Albert Sidoine BONOU, Thierry d'ALMEIDA, Michele ZEMA, Sekazi MTINGWA, Claude BORNA

Crystallographic education in real and reciprocal spacechromechrome

Dubravka Sisak Jung

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

Leopoldo Suescun

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

Louise Nicole Dawe

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

Suzanna Ward, Ilaria Gimondi

Introduction to session

Artem R Oganov, Alexander Goncharov

Computational challenges in the search for better superconducting hydrides

Christopher James Pickard

Room-temperature superconductivity in compressed polyhydrides

Dmitrii Semenok

Electronegativity and Mendeleev number: redefinition of two important atomic chemical descriptors

Artem R Oganov

Introduction to session

Chiara Massera, Ivan Halasz

Structural Insights into the Temperature-induced Color Changes of [(CH₃)₂NH₂]₂NiCl₄

Tomce Runcevski

Smart Molecular Materials: Synthesis, Structure and Properties

Helena Shepherd

Ultra-Fast Rotors and Light Emitting Ligands in Metal-Organic Frameworks

Angiolina Comotti, Silvia Bracco, Jacopo Perego, Charl X. Bezuidenhout, Sergio Piva, Piero Sozzani

Shape-memory effects in molecular crystals

Ejaz Ahmed, Durga Prasad Karothu, Mark Warren, Pance Naumov

Low-power photo-carving of dye-volatile cocrystals: The sublime cutting edge of light-responsive materials

Tristan Hermann Borchers, Filip Topic, Tomislav Friščić, Christopher John Barrett

Crystal locomotion driven by photo-triggered phase transition

Yuki Hagiwara, Akifumi Takanabe, Toru Asahi, Hideko Koshima

Towards an iterative exploration of novel materials exhibting electronic phase transitions

James M. Rondinelli

Negative X-ray expansion in cadmium cyanide

Chloe Simone Coates, Claire A. Murray, Hanna L. B. Bostrom, Emily M. Reynolds, Andrew L. Goodwin

Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO₄

Gwilherm Nénert

Crystal structure of a new polymorph of Sr₂TiO₄ with tetrahedral titanium

Dorota Pulmannova, Céline Besnard, Enrico Giannini

Revisiting the crystal structure and magneto-elastic coupling in MnZnSb

Kieran Jon Routledge, Philip A.E. Murgatroyd, John B. Claridge, Stanislav N. Savvin, Jonathan Alaria

Phase transitions and magnetic structures in Epsilon-Fe₂O₃ nanoparticles

Arnau Romaguera, Zheng Ma, Javier Herrero-Martín, Catalin Popescu, Juan Angel Sans, Martí Gich, Jose Luis Garcia-Muñoz

Polytypism in layered AB₂ solids

Emma Helen Wolpert, Andrew L Goodwin

Introduction to session

Shanti Deemyad, Ronald Miletich

Evolution of Structural, Magnetic and Electronic Properties with Pressure in TMPX₃ van-der-Waals Compounds

Siddharth Saxena

Materials synthesis and crystallography at extreme pressure-temperature conditions

Natalia Dubrovinskaia, Leonid Dubrovinsky

Salts of guanine and alkali metals: preparation and structural study at broad range of T, P

Anna Gaydamaka, Sergey Arkhipov, Boris Zakharov, Yurii Seryotkin, Elena Boldyreva

Phase diagram of carbon dioxide revisited

Kamil Filip Dziubek, Demetrio Scelta, Martin Ende, Ronald Miletich, Roberto Bini, Mohamed Mezouar, Gaston Garbarino

X-ray study of krypton and xenon under pressure reveals the mechanism of martensitic transformations

Angelika Dorothea Rosa, Agnes Dewaele, Gaston Garbarino, Irifune Tetsuo, Olivier Mathon, Mohamed Ali Bouhifd

Introduction to session

J. Fred Mosselmans, Annalisa Martucci

Immobilization and removal of hazardous elements by geomaterials: the harder and the softer solutions

Giuseppe Cruciani

Combining X-ray diffraction, X-ray absorption spectroscopy, and molecular dynamics simulations to probe metals in zeolites: the case of intergrown Cd²⁺-LEV/ERI

Georgia Cametti, Andreas C. Scheinost, Sergey V. Churakov

Adsorption and degradation mechanisms of perfluoroalkyl substances (PFAS) on Ag-exchanged FAU-type zeolite studied by in situ synchrotron X-ray diffraction and thermal analysis/isotope ratio mass spectrometry.

Maura Mancinelli, Lara Gigli, Matteo Ardit, Jasper Rikkert Plaisier, Gianluca Bianchini, Gian Marco Salani, Annalisa Martucci

Revealing the lifelong bio-persistent crystal structure of an asbestos fibre

Carlotta Giacobbe, Dario Di Giuseppe, Alessandro Zoboli, Paola Bonasoni, Anna Moliterni, Jonathan Wright, Alessandro Gualtieri

Mechanisms of structural reordering during thermal transformation of aluminogermanate imogolite nanotubes

Geoffrey Monet, Stéphan Rouzière, Delphine Vantelon, Pascale Launois, Erwan Paineau

Evolution of the wall-crystal interface as witness of the heterogeneous nucleation and growth of Naica’s giant crystals

Maria Elena Montero-Cabrera, Bernardo Pérez-Cázares, María Elena Fuentes-Montero, Luis Edmundo Fuentes-Cobas, Isaí Castillo-Sandoval, Iván Jalil Carreño-Márquez, Hilda Esperanza Esparza-Ponce, Diane Eichert, René Loredo-Portales, Lorena Pardo

Introduction to session

Jonathan Paul Wright, Sinex Larsen

Macroscopic X-ray powder diffraction imaging for the study of oil paintings

Frederik Vanmeert, Steven de Meyer, Arthur Gestels, Steven Saverwyns, Koen Janssens

A multiscale, multimodal approach to studying static recrystallization in Mg-3Zn-0.1Ca

Sangwon Lee, Tracy Berman, Can Yildirim, Kate Shanks, Carsten Detlefs, John Allison, Ashley Bucsek

Trindex - 3D Grain Orientation Mapping with Neutron Imaging

Patrick Kin Man Tung, Stavros Samothrakitis, Camilla Larsen, Nancy Elewa, Ryoji Kiyanagi, Takenao Shinohara, Luise Theil Kuhn, Robin Woracek, Markus Strobl, Petr Sittner, Soren Schmidt

New advanced tools for processing and analysis of 2D X-ray diffraction data: XRD2DScan software 7.0

Alejandro Rodriguez-Navarro, Natalia Dadivanyan, Anil Kumar, Milen Gateshki

Visualizing the Dynamics of Subsurface Defects with Time-Resolved Dark-Field X-ray Microscopy

Leora Dresselhaus-Marais

Diffraction imaging and tomography investigations on the hydration of gypsum plaster

Michela La Bella, Rogier Besselink, Alexander E. S. Van Driessche, Jonathan P. Wright, Carlotta Giacobbe, Alejandro Fernandez-Martinez

Introduction to session

Jane Shelby Richardson, Nicholas Mark Pearce

"Enhanced peer review" - rebuilding early SARS-CoV-2 structures in ISOLDE

Tristan Ian Croll

Improving the quality of 3D structure data in the Protein Data Bank with coordinate versioning supported by OneDep

Jasmine Y. Young

Neutron crystallography for drug design targeting SARS-CoV-2 viral proteins

Andrey Kovalevsky, Daniel Kneller, Leighton Coates

The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M^pro)

Ali Ebrahim, Blake T. Riley, Desigan Kumaran, Babak Andi, Martin R. Fuchs, Sean McSweeney, Daniel A. Keedy

Validation of cryo-EM structures of SARS-CoV-2 and mapping genomic mutations

Agnel Praveen Joseph, Sony Malhotra, Martyn Winn

Introduction to session

Matteo Bosi, Adela Rodríguez-Romero

1D Nanowires of 2D Layered Materials: A New Frontier in Nanomaterials

Eli Sutter, Peter Sutter

Advances in organic 2D crystals

Xinliang Feng

Crystal growth and characterisation of organic-inorganic lead-free 2D double perovskite for application in radiation sensin

Valeria Murgulov, Catherine Schweinle, Michael Daub, Harald Hillebrecht, Michael Fiederle

Determination of stress, cracks and defects density in crystals after wafer-bonding processes: a novel HRXRD – X-ray micro CT conjoint analytical approach

Aurelio Borzì, Robert Zboray, Simone Dolabella, Alex Dommann, Antonia Neels

Crystallography online by the Bilbao Crystallographic Server: new computer tools for the study of layer and multi-layer materials

Gemma de la Flor, Emre Tasci, Luis Elcoro, Gotzon Madriaga, Juan Manuel Perez-Mato, Yuri E. Kitaev, Robert Evarestov, Mois I. Aroyo

Introduction to session

Giuseppe Resnati, Petra Bombicz

Seleninic acids as chalcogen bond donors: a molecular insight of GPx activity

Andrea Pizzi, Tripathi Abhishek, Andrea Daolio, Zhifang Guo, David Turner, Glen Deacon, Harkesh Singh, Giuseppe Resnati

Deciphering the driving forces in crystal packings by analysis of hydrogen bonds, electrostatic energies and contact enrichment ratios.

Christian Jelsch, Yvon Bibila Bisseyou, Benoît Guillot

The role of S-bond in tenoxicam keto–enolic tautomerization.

Sergey G. Arkhipov, Peter S. Sherin, Alexey S. Kiryutin, Vladimir A. Lazarenko, Christian Tantardini

Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in lab

Vishnu Vijayakumar-Syamala, Maxime Deutsch, Emmanuel Aubert, Massimo Nespolo, Cyril Palin, Emmanuel Wenger, Arun Dhaka, Marc Fourmigue, Enrique Espinosa

Tuning mechanical responses of crystalline cadmium(II) coordination polymers through cyano functionality and halide anions

Mateja Pisačić, Marijana Đaković

Halogen Bonding for Aromatic Hydrocarbon Assembly in the Solid State

Jogirdas Vainauskas, Tristan H. Borchers, Filip Topić, Tomislav Friščić

Poster session abstracts

Radomír Kužel

Hundreds of starting points for spliceosomal PPI modulators identified by crystallographic fragment screening with the F2X-Universal Library

Tatjana Barthel, Jan Wollenhaupt, Gustavo M. A. Lima, Markus C. Wahl, Manfred S. Weiss

HIF-Prolyl-Hydroxylase 2 Clinical Inhibitor Complex Structure and XChem Fragment-Based Screen Obtained with Succinate Co-Product Used as a Crystallisation Tool.

William D. Figg Jr, Michael A. McDonough, Yu Nakashima, Rasheduzzaman Chowdhury, Christopher J. Schofield

Updates from FragMAX, a crystallographic fragment screening platform at MAX IV Laboratory

Tobias Krojer

Poster session abstracts

Radomír Kužel

How guest molecules affect on the self-assembly of carboxylated pillar[5]arene in its complexes

Helena Lidia Butkiewicz, Sandra Kosiorek, Volodymyr Sashuk, Oksana Danylyuk

Supramolecular arrangements in the crystal structures and the interaction energy calculations of resonance-assisted hydrogen-bridged (RAHB) rings - RAHB/RAHB and RAHB/C₆-aromatic contacts

Jelena Blagojevic Filipovic, Snezana Zaric

Polymorphism and structural characterization of a Silver(I) coordination polymer: an inorganic-polymer co-former in the preparation of curcumin containing co-crystals

Francesca Scarpelli, Massimo La Deda, Giuseppe Di Maio, Renata De Rose, Iolinda Aiello, Mario Amati, Alessandra Crispini

A bug in enantiomer separation: double salt formation – diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate

Sourav De, Laura Bereczki, Amit Zodge, Márton Kőrösi, Tamás Holczbauer, Edit Székely, Petra Bombicz

Structural study of Clopamide drug and copper (II) complexes under different crystallization conditions

G. Tamás Gál, Nóra V. May, Petra Bombicz

Interaction between metallocene units

Goran A. Bogdanovic, Sladjana B. Novakovic

Two sides of a molecular surface for analysis of non-covalent interactions

Anna V. Vologzhanina, Alexander A. Korlyukov

Synthesis and supramolecular analysis of novel purine alkaloid cocrystals with trimesic and hemimellitic acids

Mateusz Gołdyn, Daria Larowska, Elżbieta Bartoszak-Adamska, Weronika Nowak

Tailoring Crystal Structures and Polymorphs of Halogen-Bonded Supramolecular Assemblies: Co-Crystals of Hexahalogenated Benzenes and 2,3,5,6-Tetramethylpyrazine

Rama K. El-khawaldeh, Shubha S. Gunaga, David L. Bryce

Synthesis and single crystal structure determination of a new mixed-metal organic–inorganic hybrid of discrete transition metal halide complexes and α, ω-diammonioalkane assembled through non-covalent intermolecular interactions : [NH₃(CH₂)₆NH₃]₄[RhCl₆][FeCl₄]Cl₄

Mahsa Armaghan, Walter Frank

Influence of steric hindrance on the hydrates formation. The case of 2,2,6,6-tetramethylpiperidine and 3,3,5,5-tetramethylmorpholine

Pawel Socha, Bernadeta Prus, Łukasz Dobrzycki, Roland Boese, Michal Ksawery Cyrański

σ-hole interaction properties of divalent sulfur

Albert Singa Lundemba

Architecture of hydrogen-bonded anionic substructure vs cation type in thiazolium hypodiphosphates

Daria Barbara Budzikur, Katarzyna Anna Ślepokura

The crystal structure of four solvates of a bisphenol derivative.

Mizuki Fujino, Saori Gontani, Takeshi Nakamura, Shinya Matsumoto

Controlling π-Stacking Interactions in a Series of Novel Heteroacene Derivatives

Lana Klara Hiscock, Maly Kenneth, Dawe Louise

The first supramolecular consideration on crystal of DFMO – promising antiviral and anticancer pan-drug

Joanna Bojarska

Poster session abstracts

Radomír Kužel

EIGER2 CdTe detectors for hard X-ray research under extreme conditions

Tilman Donath, Max Burian, Stefan Brandstetter

Completeness of data in XRD experiments using Diamond Anvil Cell

Daniel Tchoń, Anna Makal

Pressure dependence of crystal and molecular structure and NLO response of L-Arg homologue salts.

Piotr Rejnhardt, Jan K. Zaręba, Andrzej Katrusiak, Marek Daszkiewicz

Reinvestigation of site-disorder in dense ice by in-situ neutron diffraction techniques

Keishiro Yamashita, Kazuki Komatsu, Stefan Klotz, Oscar Fabelo, Maria Teresa Fernández-Díaz, Jun Abe, Shinichi Machida, Tetsuo Irifune, Takanori Hattori, Toru Shinmei, Kazumasa Sugiyama, Toru Kawamata, Hiroyuki Kagi

Uniaxial pressure in a High-resolution X-ray Diffraction environment

Vinícius E. S. Frehse, Gustavo A. Lombardi, José C. Corsaletti Filho, Cris Adriano, Ricardo D. dos Reis, Guilherme A. Calligaris

In situ XRPD of the synthesis of corundum from boehmite during ball milling.

Tobias Rathmann, Hilke Petersen, Steffen Reichle, Martin Etter, Amol P. Amrute, Wolfgang Schmidt, Claudia Weidenthaler

Polyamorphizationinduced superconductivity in Sb₂Se₃

Wenge Yang

New materials development utilizing mechanochemical synthesis

Phuong Quang Hoang Nguyen, Warren McKenzie, Dongzhou Zhang, Jingui Xu, Robert Rapp, John Phillip Bradley, Przemyslaw Dera

Exploring the high pressure bcc alloy phase of topological Insulator PbBi₄Te₇: synchrotron x-ray diffraction measurement and DFT simulations

Brahmanad Chakraborty, Sumita Sura, Nandini Garg

Researches on pressure induced phase transitions using multiple synchrotron X-ray techniques: From crystalline to non-crystalline samples

Luhong Wang, Arthur Haozhe Liu

Poster session abstracts

Radomír Kužel

Polymorphic tuning of a flexible organic crystal optical waveguide

Torvid Feiler, Biswajit Bhattacharya, Adam Michalchuk, Seon-Young Rhim, Vincent Schröder, Emil List-Kratochvil, Franziska Emmerling

Mechanical Flexibility in 1D Coordination Polymer Crystals

Biswajit Bhattacharya, Adam Michalchuk, Franziska Emmerling

Mechanical-Bending-Induced Fluorescence Enhancement in Plastically Flexible Crystals of a GFP Chromophore Analogue

Saikat Mondal, C. Malla Reddy, Prasun K Mandal

Metal-like Ductility and Malleability in Organic Plastic Crystals

Amit Mondal, Biswajit Bhattacharya, Susobhan Das, Surojit Bhunia, Rituparno Chowdhury, Somnath Dey, C. Malla Reddy

Poster session abstracts

Radomír Kužel

The organization of stable pre-crystallization phase from oligomers in lysozyme solution with different precipitates and the thin films formation at the air-liquid/air-substrate interfaces from the crystallization solutions

Margarita Marchenkova, Kseniia Ilina, Anastasiia Boikova, Petr Konarev, Alexey Seregin, Yulia Dyakova, Yury Pisarevskiy, Mikhail Kovalchuk

The formation of pre-crystallization oligomers in protein solutions during crystal growth

Kseniia Ilina, Anastasiia Boikova, Margarita Marchenkova, Yury Pisarevskiy, Yuliia Dyakova, Mikhail Kovalchuk

Study of the behaviour of lysozyme oligomers in solutions by the molecular dynamics method at different temperatures

Iuliia Vladimirovna Kordonskaia, Vladimir Igorevich Timofeev, Yulia Alekseevna Dyakova, Margarita Aleksandrovna Marchenkova, Yura Vladimirovich Pisarevskiy, Mikhail Valentinovich Kovalchuk

Evolution of heterogeneity and gelation of poly(N‑isopropylacrylamide) aqueous solution at a temperature below cloud point

Atsuomi Shundo, Takuro Kogo, Chi Wang, Keiji Tanaka

Study on the intercalation of fullerene derivate into ordered phases liquid crystalline polymer

Chen-An Wang, Jrjeng Ruan, U-Ser Jeng

Poster session abstracts

Radomír Kužel

Substitutional doping of trirutiline transition metal antimonates, MSb₂O₆

Sneh Patel, Hyung-Been Kang, Helen Maynard-Casely, Tilo Söhnel

Tuning Expansion and Phase Transition Behavior in the Scandium Tungstate Family

Cora Lind-Kovacs, La'Nese Lovings, Dominik Dietzel

Phase transition in CePt₂Al₂

Petr Doležal, Elen Duverger-Nédellec, Zuzana Mičková, Petr Proschek, Ksenia Illková, Stanislav Daniš, Kristína Bartha, Pavel Javorský

Short-range charge density wave order in La_1.88Sr_0.12CuO₄ under uniaxial pressure

Ruggero Frison, Julia Kuespert, Qisi Wang, Niels Christensen, Jaewon Choi, Oleh Ivashko, Martin von Zimmermann, Tohru Kurosawa, Naoki Momono, Migaku Oda, Johan Chang

Atomic mechanisms for the formation of charge-density waves in 3-dimensional electronic crystals

Sander van Smaalen, Sitaram Ramakrishnan, Srinivasan Ramakrishnan

Revisiting phase transitions in Ca-modified lead titanate ceramics using synchrotron XRD

Larissa Galao, Ducinei Garcia, Flavia Regina Estrada

Temperature and time-resolved XANES studies of novel valence tautomeric cobalt complex

Svetlana Olegovna Shapovalova, Alexander Alexandrovich Guda, Mikhail Pavlovich Bubnov, Vladimir Kuzmich Cherkasov, Yuriy Vladimirovich Rusalev, Victor Vasilevich Shapovalov, Alexander Vladimirovich Soldatov

Structural peculiarities of bismuth-containing RFe₃(BO₃)₄ (R = Ho, Y, Sm, Nd)

Ekaterina S. Smirnova, Olga A. Alekseeva, Alexander P. Dudka, Igor A. Verin, Vladimir V. Artemov, Dmitry N. Khmelenin, Irina A. Gudim, Kirill V. Frolov, Igor S. Lyubutin

Modeling of lattice thermal expansion close to phase transitions: a DEA model extension.

Thorsten M. Gesing, Lars Robben, M. Mangir Murshed

Preferences of Chirality and Polarity in Triglycine sulfate Crystals

Yukana Terasawa, Toshio Kikuta, Masaaki Ichiki, Sota Sato, Kazuhiko Ishikawa, Toru Asahi

Crystallography of silicon element: stable and metastable crystalline forms

Alexandre Courac

Crystal Structure of Protic Ionic Liquids and their hydrates

Michael P. Hassett, Helen Brand, Jack Binns, Andrew V. Martin, Tamar L. Greaves

Negative linear, in-plane zero and phase-transition-induced negative volume expansion in cranswickite-type MgSO₄·4D₂O

Johannes M. Meusburger, Karen A. Hudson-Edwards, Chiu C. Tang, Eamonn Connolly, Rich A. Crane, A. Dominic Fortes

Two stages in one step spin crossover in [Fe(bbtr)₃](CF₃SO₃)₂

Maria Książek, Marek Weselski, Joachim Kusz, Robert Bronisz

Nitrile orientation versus crystal lattice as a tool for tuning the spin crossover properties in the one-dimensional coordination polymers [Fe(ebtz)₂(RCN)₂](BF₄)₂ (RCN = nitrile)

Joachim Kusz, Maria Książek, Marcin Kaźmierczak, Aleksandra Tołoczko, Marek Weselski, Robert Bronisz

Operando PXRD and PDF Investigations of Disordering in NaCrO₂-CrO₂

Christian L. Jakobsen, Bettina P. Andersen, Dorthe B. Ravnsbæk

Electrochemically driven phase transitions in crystallographically challenged electrode materials for rechargeable batteries

Martin Aaskov Karlsen, Dorthe Bomholdt Ravnsbæk

Crystal Structures and Phase Transitions of the Methylammonium Tin Halide Perovskites

Yui Fujihisa, Miwako Takahashi, Masato Hagiwara, Shuki Torii, Takashi Kamiyama, Takashi Ohhara, Yukio Noda

Synthesis, crystal structure and catalytic activity of a new organic-inorganic hybrid cobalt phosphite

Mohamed AKOUIBAA, Najlaa HAMDI, Rachid OUARSAL, Souâd RAKIB, Brahim EL BALI, Mohammed LACHKAR

Crystallographic studies of the spin state transition of three Fe(II) metallogrids: thermal vs ultra-fast photoswitching

Jose de Jesus Velazquez Garcia, Krishnayan Basuroy, Darina Storozhuk, Joanne Wong, Serhiy Demeshko, Franc Meyer, Robert Henning, Simone Techert

Phase Transformations in Ti-Nb-Zr-Ta-O Beta Titanium Alloys with High Oxygen and Reduced Nb and Ta Content

Dalibor Preisler, Josef Stráský, Petr Harcuba, Tereza Košutová, Milan Dopita, Michaela Janovská, Michal Hájek, Miloš Janeček

Crystallization and nucleation study of transition metal struvite and related compounds

Stephanos Karafiludis, Tomasz M. Stawski, Franziska Emmerling

α phase lamellae orientation relationship in metastable β titanium alloys

Petr Harcuba, Jana Šmilauerová, Václav Holý

Poster session abstracts

Radomír Kužel

Advances in the Parameter Space Concept for Crystal Structure Determination – a maximum resolution study

Matthias Zschornak, Christian Wagner, Melanie Nentwich, Dirk C. Meyer, Karl Fischer

High-pressure CO₂ for lipid-mediated cocrystallization of theophylline and nicotinamide

Yuna Tatsumi, Yingquan Hao, Yusuke Shimoyama

GIDInd: an automated indexing software for grazing-incidence X-ray diffraction data

Manuel P. Kainz, Lukas Legenstein, Valentin Holzer, Sebastian Hofer, Martin Kaltenegger, Roland Resel, Josef Simbrunner

Towards real-time analysis of liquid jet alignment in SFX

Jaydeep Patel, Adam Round, Andrew Peele, Adrian Mancuso, Brian Abbey

An efficient method for indexing grazing-incidence X-ray diffraction data of epitaxially grown thin films

Josef Simbrunner, Benedikt Schrode, Jari Domke, Torsten Fritz, Roman Forker, Roland Resel

Development of microspectrophotometer for the macromolecular crystallography beamline at the Photon Factory, Japan

Masahide Hikita, Yusuke Yamada, Naohiro Matsugaki, Masahiko Hiraki, Toshiya Senda

Growth of protein crystals in high-strength hydrogels with the dialysis membrane

Taichi Naruse, Kenta Hamada, Hiroaki Adachi, Tsugio Nagasawa, Noriaki Kunimune, Michio Murata, Yusuke Mori, Shigeru Sugiyama

Development of Reciprocal Space Mapping Software for Single Crystal Diffraction

Yoshihisa Ishikawa, Ryoji Kiyanagi, Takashi Ohhara, Akiko Nakao, Koji Munakata, Kentaro Moriyama, Yukio Noda

Identifying problems in your single crystal diffraction data

Richard I. Cooper, David J. Watkin

Application of result of atoms and centrosymmetric cubic space groups for sharpening of Patterson function

Pui Sum Yuen

An attempt to find the use of atomic scattering factors and centrosymmetric cubic space groups; two choices of random phases in direct methods

Pui Sum Yuen

Poster session abstracts

Radomír Kužel

Complex atomic fine structure in the phase domain: exciting opportunities and challenges

Chanh Quoc Tran, Christopher Thomas Chantler, Tony Kirk, Paul di Pasquale, Minh Hong Dao, Julian Ceddia, Zwi Barnea, Martin de Jonge, Cameron Kewish, David Paterson

Dispersion Refinements in the Range of Absorption Edges

Florian Meurer, Florian Kleemiss, Oleg V. Dolomanov, Vedran Vukovic, Horst Puschmann, Norbert Peyerimhoff, Christoph Hennig, Michael Bodensteiner

Solving Self-Absorption in Fluorescence

Ryan McEvey Trevorah, Christopher Thomas Chantler

X-ray absorption spectroscopy study of metal-organic frameworks functionalized by Pd: Formation and growth of Pd nanoparticles

Elizaveta Kozyr, Aram Bugaev, Alina Skorynina, Alexander Soldatov

High accuracy determination of photoelectric crosssections, X-ray Absorption Fine Structure and nanostructure analysis of zinc selenide using the X-rayExtended Range Technique

Daniel Sier, Geoffrey P Cousland, Ryan M Trevorah, Ruwini S K Ekanayake, Chanh Q Tran, James R Hester, Christopher T Chantler

Facile synthesis of nano-structure LiCoPO₄@UiO-66 particles and its in-situ XAS, structural properties and electrochemical characterization for lithium batteries

Abdelaziz Aboraia, V. Shapovalov, A. Guda, V. Butova, A.V. Soldatov

Mapping the thermo-induced valence tautomerism in Cobalt dioxolane single crystals

Ludmila Leroy, Lucas Pimenta, Leonardo Calazans, Marcos Ribeiro, Frederico Lima, Simone Alexandre, David Shultz, Majed Chergui, Carlos Pinheiro

The Expanding Amyloid Family: Structure, Stability, Function, and Pathogenesis

David Eisenberg