Session Overview | |
Location: Club D 50 1st floor |
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10:20am - 12:45pm |
MS-8: Social media and new frontiers for spreading crystallographic Location: Club D Chair: Andrea Ienco Chair: Helen Maynard-Casely Invited: Delphine Chenevier (France), Rhiannon Morris (Australia) Introduction Introduction to session 10:25am - 10:55am General interest Humanising science to reach new audience 10:55am - 11:25am General interest Using social media to make crystallography accessible 11:25am - 11:45am General interest Using social media to share the wonders of crystallography - perspectives from a structural database 11:45am - 12:05pm General interest Memes: a new avenue for spreading crystallographic knowledge for the next generation 12:05pm - 12:25pm General interest The Building Blocks of Battery Technology: Inspiring the next generation of battery researchers 12:25pm - 12:45pm General interest Social media for the growth of a scientific community: the case of the Italian Young Crystallographers Group |
2:45pm - 5:10pm |
MS-11: Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applications Location: Club D Chair: Martin U. Schmidt Chair: Fabia Gozzo Invited: Kenneth Harris (UK), Jim Kaduk (USA) Introduction Introduction to session 2:50pm - 3:20pm Chemical crystallography, crystal structures Crystal Structures of Large-Volume Commercial Pharmaceuticals 3:20pm - 3:50pm Methods and instruments Structure determination from powder X-ray diffraction data augmented by complementary techniques 3:50pm - 4:10pm Chemical crystallography, crystal structures Monitoring polymorphic transition of a cocrystal to a salt using time-resolved X-ray powder diffraction and solid-state nuclear magnetic resonance spectroscopy 4:10pm - 4:30pm Chemical crystallography, crystal structures Mechanism elucidation of Stepwise dehydration of pharmaceutical hydrate crystals by structure determination from powder diffraction data 4:30pm - 4:50pm Bursary application Structure determination of racemic trichlormethiazide from powder diffraction data 4:50pm - 5:10pm Chemical crystallography, crystal structures Difficult structures of organic molecules and how to solve them |
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10:20am - 12:45pm |
MS-23: Ptychography: present and near future Location: Club D Chair: Manuel Guizar Sicairos Chair: Julio Cesar da Silva Invited: Chris Jacobsen (USA), Julian Reinhardt (USA) Introduction Introduction to session 10:25am - 10:55am All topics Ptychography: how it has developed, and where it might lead 10:55am - 11:25am All topics Collaborative software solutions and data standards for ptychographic Imaging 11:25am - 11:45am Methods and instruments Quantitative analysis of cementitious materials by X-ray ptychographic nanotomography 11:45am - 12:05pm Methods and instruments Imaging of synapses in 3D with non-destructive synchrotron X-ray ptychography 12:05pm - 12:25pm Methods and instruments Spectral X-ray ptychography for the investigation of technical catalysts 12:25pm - 12:45pm Methods and instruments Coupled ptychography and tomography reconstruction of experimental data |
2:45pm - 5:10pm |
MS-27: New trends in pharmaceutical materials Location: Club D Chair: Nikoletta B. Bathori Chair: Laszlo Fabian Invited: Tonglei Li (USA), Doris Braun (Austria) Introduction Introduction to session 2:50pm - 3:20pm Materials and minerals Troublesome hydrates of alkaloids 3:20pm - 3:50pm All topics Kinetic Retraction at the Onset of Concomitant Crystallization 3:50pm - 4:10pm Chemical crystallography, crystal structures “Particle Informatics”: Evolving methods for understanding particle properties 4:10pm - 4:30pm All topics A Novel Physics-based Ensemble Modeling Approach that Utilizes Crystal Packing to Predict Aqueous Thermodynamic Solubility 4:30pm - 4:50pm All topics The harvesting of small molecule structure and dynamic data for macromolecular and catalytic usage. 4:50pm - 5:10pm Chemical crystallography, crystal structures Absolute configuration directly determined from 3D electron diffraction data |
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10:20am - 12:45pm |
MS-35: Polymorphism and structural transformation of organic crystals from synthesis to characterization Location: Club D Chair: Kenneth D. M. Harris Chair: Doris E. Braun Invited: David Bryce (Canada), Franziska Emmerling (Germany) Introduction Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Preparation strategies and solid-state NMR characterization of supramolecular architectures based on halogen bonds, chalcogen bonds, and pnictogen bonds 10:55am - 11:25am Chemical crystallography, crystal structures Mechanochemical cocrystal formation: Insights into polymorph control 11:25am - 11:45am All topics Pervasive approximate symmetry in organic P1 structures 11:45am - 12:05pm Bursary application The Crystal Structure of Indomethacin Polymorph δ Solved by 3D Electron Diffraction 12:05pm - 12:25pm Chemical crystallography, crystal structures Analysis of the experimental parameters impacting Non-Photochemical Laser-Induced nucleation of glycine in water 12:25pm - 12:45pm Chemical crystallography, crystal structures Photo-induced electron transfer in Pyrene-(CH2)2-N,N'-Dimethylaniline: Time-resolved pink Laue X-ray diffraction studies on crystalline polymorphs. |
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10:20am - 12:45pm |
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) Introduction Introduction to session 10:25am - 10:55am Materials and minerals Dynamic heterogeneity in transition metal oxide cathodes 10:55am - 11:25am Methods and instruments Operando characterization of battery anodes using mXRD and combined SAXS/WAXS 11:25am - 11:45am Bursary application Insight into the charging-discharging of magnetite electrodes: In-situ XAS study 11:45am - 12:05pm Methods and instruments Powerful SAS techniques for operando analysis of battery materials 12:05pm - 12:25pm Methods and instruments Redox oscillations in 18650-type lithium-ion cell revealed by in-operando Compton scattering imaging 12:25pm - 12:45pm Methods and instruments Optimization of in-situ 3D electron diffraction in an electrochemical liquid cell for crystal structure determination of energy materials |
2:45pm - 5:10pm |
SMS-4: Using crystallography for education during the pandemic Location: Club D Chair: Oluwatoyin Asojo Invited: Karsten Theis (USA) Introduction Introduction to session 2:50pm - 3:20pm Special Sessions Adaptable virtual X-Ray laboratories for online teaching, learning, and authentic practice 3:20pm - 3:50pm Special Sessions Learning in 3D with Pymol and Proteopedia during a pandemic: enzyme catalysis and conformational change 3:50pm - 4:10pm All topics Teaching crystallography and X-ray diffraction online with MS Teams - experience 4:10pm - 4:30pm Special Sessions Using Zoom Webinar to Teach Advanced Topics in Crystallography 4:30pm - 4:50pm Special Sessions COVID-proofing Biochemistry and engaging diverse students with Crystallography Research 4:50pm - 5:10pm All topics Integrating a discovery based remote/hybrid crystallography lab module into an undergraduate teaching laboratory during the pandemic |
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10:20am - 12:45pm |
MS-61: Magnetic structures at extreme conditions and in extreme samples Location: Club D Chair: Angel M. Arevalo-Lopez Chair: Andrzej Katrusiak Invited: Elena Solana-Madruga (UK), Dawid Pinkowicz (Poland) Introduction Introduction to session 10:25am - 10:55am Physics and fundamental crystallography Complex magnetic structures in frustrated A-site manganites 10:55am - 11:25am All topics High pressure effects in molecular magnetic materials with cyanide bridges 11:25am - 11:45am Physics and fundamental crystallography Crystal and magnetic structures of the high pressure RMnMnTaO6 (R = Rare earth) double (double) perovskites 11:45am - 12:05pm All topics Pb2NiOsO6: antiferromagnetic order breaks inversion symmetry in high pressure perovskite 12:05pm - 12:25pm Methods and instruments High Pressure Diffraction on Single Crystals with Hot Neutrons at MLZ 12:25pm - 12:45pm Physics and fundamental crystallography Magnetic phase diagram of the high-temperature spiral magnet YBaCuFeO5 |
1:00pm - 2:30pm |
ECA - SIG-1: ECA - SIG-1 Macromolecular Crystallography Location: Club D |
2:45pm - 5:10pm |
MS-65: Graphs, tilings and crystal structures Location: Club D Chair: Mark Loyola Chair: Bernd Souvignier Invited: Vladislav A. Blatov (Russia), Jean-Guillaume Eon (Brazil) Introduction Introduction to session 2:50pm - 3:20pm Physics and fundamental crystallography Perceiving zeolite self-assembly within the natural tiling model 3:20pm - 3:50pm Chemical crystallography, crystal structures Combinatorial aspects of Löwenstein’s rule 3:50pm - 4:15pm Bursary application Layer Groups associated with 3-way 3-fold isonemal fabrics 4:15pm - 4:40pm All topics A unique and continuous code of all periodic crystals 4:40pm - 5:05pm Chemical crystallography, crystal structures Synthesis of magnetically frustrated oxides with double perovskite structure |
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10:20am - 12:45pm |
MS-75: Small- and Wide-Angle Scattering for industrial materials far from equilibrium Location: Club D Chair: Jan Ilavsky Chair: Semra IDE Invited: Masato Ohnuma (Japan), Elliot Paul Gilbert (Australia) Introduction Introduction to session 10:25am - 10:55am Methods and instruments Characterising Food Materials and the Case for Extended q Scattering 10:55am - 11:25am Materials and minerals "Slow operand" measurements by laboratory small-angle X-ray scattering 11:25am - 11:45am Materials and minerals Breaking Bad: Towards Certifiable Additively Manufactured Alloys Using Post-Build Heat Treatment 11:45am - 12:05pm Materials and minerals Time-evolution of Au and Ag nanofluids prepared by direct deposition of gas aggregated nanoparticles into the liquid polymer 12:05pm - 12:25pm Materials and minerals XRD, USAXS, SAXS and WAXS Investigations of ferroelectric PZN-4.5PT nanoparticles thin Films 12:25pm - 12:45pm Materials and minerals The nSoft Autonomous Formulation Laboratory: SANS/SAXS/WAXS Liquid Handling for Industrial Formulation Discovery |
1:00pm - 2:30pm |
ECA - SIG-14: ECA - SIG-14 Dynamics, Disorder, Diffuse Scattering Location: Club D |
2:45pm - 5:10pm |
MS-86: Modular structure of inorganic and mineral compounds Location: Club D Chair: Isabella Pignatelli Chair: Berthold Stöger Invited: Olivier Perez (France), Marie Colmont (France) Introduction Introduction to session 2:50pm - 3:20pm Materials and minerals Designing Composite Spin Chain Structures Built up of Dimeric and Trimeric Polyhedral Units: The oxides A1+y[(Mn1-xCox)1-z◊z]O3 (A=Ca, Sr; x = 3/8). 3:20pm - 3:50pm All topics Diffraction enhancement of symmetry and modular structures 3:50pm - 4:15pm Materials and minerals Polytypism in cronstedtite; how various stacking sequences of layers affect diffraction pattern 4:15pm - 4:40pm Materials and minerals Binary beryllium pnictides: ordered and disordered coloring variants of the diamond structure |
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10:20am - 12:45pm |
MS-94: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering Location: Club D Chair: Igor Huskić Chair: Tomoji Ozeki Invited: Helen Maynard-Casely (Australia), Ulrich Kortz (Germany) Introduction Introduction to session 10:25am - 10:55am Chemical crystallography, crystal structures Discrete polyoxometalates: from geochemistry via crystal engineering to functional materials 10:55am - 11:25am Materials and minerals Exploration of organic minerals on Saturn’s moon Titan 11:25am - 11:45am Chemical crystallography, crystal structures A Crystal Flask Composed of Huge Cage-of-Cage Metallosupramolecules for the Formation of Polyoxomolybdate 11:45am - 12:05pm Bursary application Autonomous Recombination and Selfhealing of Fracture in Piezoelectric Organic Crystals: Scopes in Crystal Engineering 12:05pm - 12:25pm Bursary application Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method. 12:25pm - 12:45pm Bursary application Correlated Linker Disorder in Metal-Organic Frameworks |
2:45pm - 5:10pm |
MS-99: Non-covalent interactions in crystal engineering II Location: Club D Chair: Giuseppe Resnati Chair: Petra Bombicz Invited: Andrea Pizzi (Italy), Christian Jelsch (France) Introduction Introduction to session 2:50pm - 3:20pm Chemical crystallography, crystal structures Seleninic acids as chalcogen bond donors: a molecular insight of GPx activity 3:20pm - 3:50pm Chemical crystallography, crystal structures Deciphering the driving forces in crystal packings by analysis of hydrogen bonds, electrostatic energies and contact enrichment ratios. 3:50pm - 4:10pm Bursary application The role of S-bond in tenoxicam keto–enolic tautomerization. 4:10pm - 4:30pm Bursary application Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in lab 4:30pm - 4:50pm Bursary application Tuning mechanical responses of crystalline cadmium(II) coordination polymers through cyano functionality and halide anions 4:50pm - 5:10pm Chemical crystallography, crystal structures Halogen Bonding for Aromatic Hydrocarbon Assembly in the Solid State |