XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021

August 14 - 22, 2021 | Prague, Czech Republic

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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: 19th Apr 2024, 10:33:17pm CEST

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Session Overview

Date: Friday, 20/Aug/2021
9:00am - 9:50am	KN-28: 4th generation SR and XFEL facilities: new era in crystallography and material science Location: Terrace 2A Session Chair: Elena Boldyreva Aleksandr Blagov
	ID: 1668 / KN-28: 1 Plenary and keynote Invited lecture to session Keywords: 4th generation SR and XFEL facilities, cohirent diffraction and scattering Fourth-generation Synchrotron radiation and XFEL facilities: new era in crystallography and material science. Alexander Eugenievich Blagov National Research Center «Kurchatov Institute», Moscow, Russian Federation External Resource:
9:00am - 9:50am	KN-29: Crystal engineering of adaptive smart materials: from mechanical bending to self-healing Location: Terrace 2B Session Chair: Masaki Kawano Malla Reddy
	ID: 1641 / KN-29: 1 Plenary and keynote Invited lecture to session Keywords: mechanical properties, crystal engineering, plastic crystals, self-healing, piezoelectrics Crystal engineering of adaptive smart materials: from mechanical bending to self-healing C Malla Reddy Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, 741246, India External Resource:
9:00am - 9:50am	KN-30: Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis Location: Club A Session Chair: Julie Bouckaert Arockiasamy Arulandu
	ID: 1878 / KN-30: 1 Plenary and keynote Invited lecture to session Keywords: Atherosclerosis, ox-LDL receptor, drug discovery, LOX-1, scavenger receptor Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis Arockiasamy Arulandu¹, Akanksha Tomar¹, Azeem Khan¹, Sibasis Sahoo¹, Muthu Sankar Aathi¹, Shobhan Kuila¹, Anmol Chandele¹, Jawahar L Mehta², Kottayil I Varughese³ ¹International Centre for Genetic Engineering and Biotechnology, New Delhi, India; ²University of Arkansas for Medical Sciences and the Central Arkansas Veterans Healthcare System, Little Rock, Arkansas, United States; ³University of Arkansas for Medical Sciences, Little Rock, Arkansas, United States. External Resource:
9:50am - 10:20am	Morning break 6: Posters, coffee/tea Location: Exhibition and poster area
10:20am - 12:45pm	MS-73: Machine learning in biological and structural sciences Location: Terrace 2B Session Chair: Rita Giordano Session Chair: Harold Roger Powell Invited: Melanie Vollmar (UK), Sergei Grudinin (France) Introduction
	10:20am - 10:25am ID: 1804 / MS-73: 1 Introduction Oral/poster Introduction to session Rita Giordano, Harold Roger Powell 10:25am - 10:55am ID: 938 / MS-73: 2 Biological and macromolecular crystallography Invited lecture to session MS: Machine learning in biological and structural sciences Keywords: experimental phasing, machine learning, data triaging Predicting experimental phasing success for data triaging Melanie Vollmar¹, Irakli Sikharulidze¹, Gwyndaf Evans^1,2 ¹Diamond Light Source, Didcot, United Kingdom; ²Rosalind Franklin Institute, Didcot, United Kingdom External Resource: 10:55am - 11:25am ID: 1173 / MS-73: 3 All topics Invited lecture to session MS: Machine learning in biological and structural sciences Keywords: deep learning, protein structure prediction, geometric learning, end-to-end architectures, protein language models Deep learning entering the post-protein structure prediction era : new horizons for structural biology Sergei Grudinin Univ. Grenoble Alpes, CNRS, Grenoble INP, LJK, 38000 Grenoble, France External Resource: 11:25am - 11:45am ID: 1196 / MS-73: 4 Biological and macromolecular crystallography Oral/poster MS: Machine learning in biological and structural sciences, Automation in bio-crystallography: tools, perspectives and applications Keywords: machine learning, quality indicators, data processing, ice rings, X-ray data How machine learning can supplement traditional quality indicators - and the human eye: A case study Andrea Thorn¹, Kristopher Nolte¹, Yunyun Gao¹, Sabrina Stäb¹, Philip Kollmannsberger² ¹Universität Hamburg, Germany; ²Julius-Maximilians-Universität Würzburg, Germany External Resource: 11:45am - 12:05pm ID: 965 / MS-73: 5 Biological and macromolecular crystallography Oral/poster MS: Machine learning in biological and structural sciences Keywords: crystal structure prediction, machine learning, Gaussian process regression Learning structure-energy relationships for the prediction of molecular crystal structures Graeme M Day University of Southampton, Southampton, United Kingdom External Resource: 12:05pm - 12:25pm ID: 869 / MS-73: 6 All topics Oral/poster MS: Machine learning in biological and structural sciences, Data-driven discovery in crystallography Keywords: machine learning, crystal descriptors, physical property prediction, RDF, radial distribution function New generalized crystallographic descriptors for structural machine learning James Cumby, Sohan Seth, Ruizhi Zhang University of Edinburgh, Edinburgh, United Kingdom External Resource: 12:25pm - 12:45pm ID: 341 / MS-73: 7 Bursary application Oral/poster MS: Machine learning in biological and structural sciences, XAS and crystallography allied for geomaterials and environmental problems, Disordered materials: spectroscopic and scattering techniques Keywords: XANES, pre-edge, Wannier function, MLFT, machine learning Analysis of pre-edge XANES spectra of Fe:SiO4 system by using machine learning methods. Danil Pashkov, Alexander Guda, Sergey Guda, Alexander Soldatov Southern Federal University, Rostov-on-Don, Russian Federation Bibliography 1. E. Gorelov, A.A. Guda, M.A. Soldatov, S.A. Guda, D. Pashkov, A. Tanaka, S. Lafuerza, C. Lamberti, A.V. Soldatov, MLFT approach with p-d hybridization for ab initio simulations of the pre-edge XANES, Radiation Physics and Chemistry, 2018, DOI: 10.1016/j.radphyschem.2018.12.025. 2. A. Martini, S. A. Guda, A. A. Guda, G. Smolentsev, A. S. Algasov, O. A. Usoltsev, M. A. Soldatov, A. L. Bugaev, Y. V. Rusalev, A. V. Soldatov, PyFitit: the software for quantitative analysis of XANES spectra using machine learning algorithms, Computer Physics Communications, 2019 3. A. A. Guda, S. A. Guda, K. A. Lomachenko, M. A. Soldatov, I. A. Pankin, A. V. Soldatov, L. Braglia, A. L.Bugaev, A. Martini, M. Signorile, E. Groppo, A. Piovano, E. Borfecchia, C. Lamberti, Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches, Catalysis Today, V. 336, 2019, P. 3-21, DOI: 10.1016/j.cattod.2018.10.071. 4. Guda, A.A., Guda, S.A., Martini, A., Bugaev A., Soldatov, M. A., Soldatov, A. V. & Lamberti, C. (2019). Machine learning approaches to XANES spectra for quantitative 3D structural determination: The case of CO2 adsorption on CPO-27-Ni MOF. Radiation Physics and Chemistry. 108430. DOI: 10.1016/j.radphyschem.2019.108430. External Resource:
10:20am - 12:45pm	MS-74: Structural biology of receptors, signaling and membrane proteins Location: Club A Session Chair: SUSAN KAY BUCHANAN Session Chair: Michael Parker Invited: Robert Keenan (USA), Isabel Moraes (UK) Introduction
	10:20am - 10:25am ID: 1805 / MS-74: 1 Introduction Oral/poster Introduction to session Susan Kay Buchanan, Michael Parker 10:25am - 10:55am ID: 1004 / MS-74: 2 Biological and macromolecular crystallography Invited lecture to session MS: Ultra-high resolution macromolecular crystallography and quantum biocrystallography, Structural biology of receptors, signaling and membrane proteins Keywords: Membrane Proteins, Photoreceptor, Receptor sensitization, Microbial rhodopsins Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization Isabel Moraes¹, Peter J. Judge², Juan F. Bada Juarez², Danny Axford³, Tristan Kwan¹, Anthony Watts² ¹National Physical Laboratory, Teddington, TW11 0LW, UK; ²Biochemistry Department, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK; ³Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK External Resource: 10:55am - 11:25am ID: 1383 / MS-74: 3 Biological and macromolecular crystallography Invited lecture to session MS: Structural biology of receptors, signaling and membrane proteins Keywords: membrane protein biogenesis, cryo-EM, translocon, multi-pass, TMCO1 An ER translocon for multi-pass membrane protein biogenesis Philip T McGilvray¹, S Andrei Anghel¹, Arunkumar Sundaram¹, Frank Zhong¹, Michael J Trnka², James R Fuller¹, Hong Hu¹, Alma L Burlingame², Robert J Keenan¹ ¹University of Chicago, Chicago, United States of America; ²University of California, San Francisco, United States of America External Resource: 11:25am - 11:45am ID: 1296 / MS-74: 4 All topics Oral/poster MS: CryoEM for macromolecules - from single particles to microcrystals, Structural biology of receptors, signaling and membrane proteins Keywords: GPCR, melanocortin, obesity, cryo-EM To eat or not to eat: Cryo-EM structure of melanocortin receptor 4 reveals mechanism of a “hunger switch” initiating satiety signaling. Oksana Degtjarik¹, Hadar Israeli^1,2, Li F. Chan³, Danny Ben-Zvi², Masha Y. Niv⁴, Peter J. McCormick³, Moran Shalev-Benami¹ ¹Department of Chemical and Structural Biology, Weizmann Institute of Science, Rehovot, Israel; ²Department of Developmental Biology and Cancer Research, The Hebrew University-Hadassah Medical School, Jerusalem, Israel; ³Centre for Endocrinology, William Harvey Research Institute, Barts and the London School of Medicine, Queen Mary, University of London, Charterhouse Square, London, UK; ⁴Faculty of Agriculture, The Hebrew University, Israel External Resource: 11:45am - 12:05pm ID: 809 / MS-74: 5 Biological and macromolecular crystallography Oral/poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: Crystallography, Membrane Trafficking, Multidisciplinary, Mass Spectrometry, ISOLDE Unravelling the molecular architecture of the Commander assembly Michael David Healy¹, Joanna Sacharz², Tristan Croll³, David A Stroud², Brett M Collins¹ ¹The University of Queensland, Brisbane, Australia; ²University of Melbourne, Melbourne, Australia; ³Cambridge Institute fo Medical Research, Cambridge, United Kingdom External Resource: 12:05pm - 12:25pm ID: 466 / MS-74: 6 Bursary application Poster MS: CryoEM for macromolecules - from single particles to microcrystals, Integrative structural biology: The next 50 years of the Protein Data Bank, Structural biology of receptors, signaling and membrane proteins Keywords: pore-forming toxin, bacterial proteins, membrane proteins, protein-membrane interactions Two-component pore formation by the novel CDCL proteins ALY short and ALY long from Elizabethkingia anophelis Bronte A Johnstone¹, Sara L Lawrence², Michelle P Christie¹, Rodney K Tweten³, Craig J Morton¹, Michael W Parker^1,2 ¹Department of Biochemistry and Molecular Biology, Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Parkville, VIC, 3010, Australia; ²ACRF Rational Drug Discovery Centre, St. Vincent’s Institute of Medical Research, Fitzroy, VIC 3065, Australia ; ³Department of Microbiology and Immunology, University of Oklahoma, Health Sciences Center, Oklahoma City, OK 73104, USA Bibliography Christie, M.P., Johnstone, B.A., Tweten, R.K., Morton, C.J., Parker, M.W. (2018). Cholesterol-dependent cytolysins: from water-soluble state to membrane pore. Biophys Rev, 10: 1337. https://doi.org/10.1007/s12551-018-0448-x External Resource: 12:25pm - 12:45pm ID: 689 / MS-74: 7 Biological and macromolecular crystallography Oral/poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: Synergy, binding cooperativity, supramolecular ligands, structural dynamics Mechanistic insights into the synergistic activation ofthe RXR–PXR heterodimer by endocrinedisruptor mixtures Vanessa Delfosse¹, Tiphaine Huet¹, Deborah Harrus¹, Meritxell Granell¹, Maxime Bourguet², Caroline Gardia-Parège³, Barbara Chiavarina³, Marina Grimaldi³, Sébastien Le Mével⁴, Pauline Blanc¹, David Huang¹, Jakub Gruszczyk¹, Barbara Demeneix⁴, Sarah Cianférani², Jean-Baptiste Fini⁴, Patrick Balaguer³, William Bourguet¹ ¹Center for Structural Biology, Montpellier, France; ²Laboratoire de Spectrométrie de Masse Bioorganique, Strasbourg, France; ³Institut de Recherche en Cancérologie, Montpellier, France; ⁴Muséum National d'Histoire Naturelle, Paris, France External Resource:
10:20am - 12:45pm	MS-75: Small- and Wide-Angle Scattering for industrial materials far from equilibrium Location: Club D Session Chair: Jan Ilavsky Session Chair: Semra IDE Invited: Masato Ohnuma (Japan), Elliot Paul Gilbert (Australia) Introduction
	10:20am - 10:25am ID: 1806 / MS-75: 1 Introduction Oral/poster Introduction to session Jan Ilavský, Semra Ide 10:25am - 10:55am ID: 883 / MS-75: 2 Methods and instruments Invited lecture to session MS: Small- and Wide-Angle Scattering for industrial materials far from equilibrium Keywords: food, SANS, USANS Characterising Food Materials and the Case for Extended q Scattering Elliot Paul Gilbert ANSTO, NSW, Australia External Resource: 10:55am - 11:25am ID: 1170 / MS-75: 3 Materials and minerals Invited lecture to session MS: Small- and Wide-Angle Scattering for industrial materials far from equilibrium Keywords: Slow operand; labo-SAXS; Mo-target "Slow operand" measurements by laboratory small-angle X-ray scattering Masato Ohnuma¹, Shigeru Kuramoto², Isamu Kaneda³ ¹Hokkaido University, Sapporo, Japan; ²Ibaraki University, Hitachi, Japan; ³Rakuno Gakuen University, Ebetsu, Japan External Resource: 11:25am - 11:45am ID: 606 / MS-75: 4 Materials and minerals Oral/poster MS: Small- and Wide-Angle Scattering for industrial materials far from equilibrium Keywords: Additive manufacturing; metals and alloys; structure; microstructure; in situ characterization; synchrotron; SAXS Breaking Bad: Towards Certifiable Additively Manufactured Alloys Using Post-Build Heat Treatment Fan Zhang¹, Carelyn E. Campbell¹, Mark R. Stoudt¹, Lyle E. Levine¹, Andrew J. Allen¹, Eric A. Lass², Greta Lindwall³ ¹Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA; ²Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996, USA; ³Department of Materials Science and Engineering, KTH Royal Institute of Technology, Brinellvägen 8, 114 28 Stockholm, Sweden External Resource: 11:45am - 12:05pm ID: 1090 / MS-75: 5 Materials and minerals Oral/poster MS: Nanocrystalline materials, Small- and Wide-Angle Scattering for industrial materials far from equilibrium Keywords: Silver nanofluid, gold nanofluid, time-evolution, gas-aggregation cluster source, SAXS Time-evolution of Au and Ag nanofluids prepared by direct deposition of gas aggregated nanoparticles into the liquid polymer Tereza Košutová¹, Daniil Nikitin², Pavel Pleskunov², Renata Tafiichuk², Andrei Choukourov², Milan Dopita¹ ¹Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16, Prague, Czech Republic; ²Department of Macromolecular Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, Prague, 180 00, Czech Republic External Resource: 12:05pm - 12:25pm ID: 1166 / MS-75: 6 Materials and minerals Oral/poster MS: Perovskites, Materials for energy conversion and storage, Small- and Wide-Angle Scattering for industrial materials far from equilibrium, Energy Materials Keywords: Ferroelectric, synchrotron, waxs, nanoparticles, thin film XRD, USAXS, SAXS and WAXS Investigations of ferroelectric PZN-4.5PT nanoparticles thin Films Rémi Ndioukane¹, Abdoul Kadri Diallo¹, Ndeye Coumba Yandé Fall¹, Moussa Touré¹, Diouma KOBOR¹, Tabbetha Amanda Dobbins², Jan Illavsky³, Laurent Lebrun⁴ ¹Laboratoire de Chimie et de Physique des Matériaux (LCPM), University Assane Seck of Ziguinchor (UASZ), Quartier Néma 2, BP 523, Ziguinchor, Senegal; ²Department of Physics & Astronomy, Provost Fellow (2019), Division of University Research, Rowan University, Oak Hall North 109, 201 Mullica Hill Road Glassboro, NJ 08028-1701; ³X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory 9700 S. Cass Avenue, bldg 433A002, Lemont, IL 60439, USA; ⁴Univ Lyon, INSA-Lyon, LGEF, EA682 - 8 rue de la Physique, F-69621, Villeurbanne, France External Resource: 12:25pm - 12:45pm ID: 1165 / MS-75: 7 Materials and minerals Oral/poster MS: Small- and Wide-Angle Scattering for industrial materials far from equilibrium Keywords: autonomous experimentation, liquid handling, industrial formulations, soft matter The nSoft Autonomous Formulation Laboratory: SANS/SAXS/WAXS Liquid Handling for Industrial Formulation Discovery Peter A Beaucage, Tyler B Martin National Institute of Standards and Technology, Gaithersburg, United States of America External Resource:
10:20am - 12:45pm	MS-76(59b): Crystal chemistry with emerging technology II Location: Club C Session Chair: Consiglia Tedesco Session Chair: Toru Asahi Introduction
	10:20am - 10:25am ID: 1807 / MS-76(59b): 1 Introduction Oral/poster Introduction to session Consiglia Tedesco, Toru Asahi 10:25am - 10:55am ID: 860 / MS-76(59b): 2 Chemical crystallography, crystal structures Oral/poster MS: Crystal chemistry with emerging technology, Polymorphism and structural transformation of organic crystals from synthesis to characterization Keywords: in situ synthesis; crystallization; kinetic; X-ray diffraction In situ study of chemical synthesis using high-energy X-ray diffraction on beamline I12 at Diamond Light Source Oxana V. Magdysyuk, Thomas Connolley, Robert Atwood, Stefan Michalik Diamond Light Source Ltd., Didcot, United Kingdom External Resource: 10:55am - 11:25am ID: 336 / MS-76(59b): 3 Bursary application Oral/poster MS: High pressure crystallography, Solid state reactions and dynamics, Crystal chemistry with emerging technology Keywords: organometallic chemistry, B-H bond activation, pincer complexes, high-pressure crystallography The solid-state chemistry of rhodium(I) pincer complexes under extreme conditions. Alexandra Longcake, Jeremiah P. Tidey, Mark S. Senn, Adrian B. Chaplin University of Warwick, Coventry, United Kingdom Bibliography N/A External Resource: 11:25am - 11:45am ID: 807 / MS-76(59b): 4 Chemical crystallography, crystal structures Oral/poster MS: Graphs, tilings and crystal structures, Complex structures of minerals and inorganic materials, Solid state reactions and dynamics, Crystal chemistry with emerging technology Keywords: Disorder, Fuel Cells, Density Functional Theory, Fergusonite, Phase Transitions Insight into the Structural Variations of Fergusonite-Type Structures: Combined Experimental and Computational Studies Bryce Mullens¹, Maxim Avdeev^1,2, Helen Brand³, Subrata Mondal⁴, Ganapathy Vaitheeswaran⁵, Brendan Kennedy¹ ¹School of Chemistry, The University of Sydney, New South Wales 2006, Australia; ²Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234, Australia; ³Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 2168, Australia; ⁴Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad 500 046, Telangana, India; ⁵School of Physics, University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad 500 046, Telangana, India External Resource: 11:45am - 12:05pm ID: 896 / MS-76(59b): 5 Bursary application Oral/poster MS: Crystal chemistry with emerging technology, Crystallization mechanisms of small molecule systems Keywords: Na2W2O7; Czochralski technique; scintillators; elementary particles; luminescence Growth and spectroscopic studies of Na₂W₂O₇ crystals doped with Ce⁺⁴ and Cr⁺³ ions, promising scintillation detectors of elementary particles Veronika Grigorieva, Mariana Rakhmanova, Alexey Ryadun Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk, Russian Federation Bibliography In last 5 years, indexed in Scopus and WebofSci, 4 publications by first authorship, 25 in total: 1.Grigorieva V.D., Ivannikova N.V., Ivanov I.M., Makarov E.P., Shlegel V.N. «Precursors preparation for growth of low-background scintillation crystals» AIP Conference Proceedings, 2018, Vol. 1921. 2.Grigorieva V.D., Shlegel V.N., Ivannikova N.V., Bekker T.B., Yelisseyev A.P., Kuznetsov A.B. «Na2Mo2O7 scintillating crystals: Growth, morphology and optical properties» Journal of Crystal Growth, 2019, 507, 31-37. 3.Grigorieva V.D., Shlegel V.N.; Borovlev Y.A.; Ryadun A.A.; Bekker T.B. “Bolometric molybdate crystals grown by low-thermal-gradient Czochralski technique” Journal of Crystal Growth, 2019, V. 523. P. 125144. 4.V.D. Grigorieva, V.N. Shlegel, Yu.A. Borovlev, T.B. Bekker, A.S. Barabash, S.I. Konovalov, V.I. Umatov, V.I. Borovkov, O.I. Meshkov “Li2100deplMoO4 crystals grown by low-thermal-gradient Czochralski technique” Journal of Crystal Growth, 2020, V. 552, 125913. 5.T. B. Bekker, N. Coron, F. A. Danevich, V. Ya. Degoda, A. Giuliani, V. D. Grigorieva, N. V. Ivannikova, M. Mancuso, P. de Marcillac, I. M. Moroz, C. Nones, E. Olivieri, G. Pessina, D. V. Poda, V. N. Shlegel, V. I. Tretyak, M. Velazquez «Aboveground test of an advanced Li2MoO4 scintillating bolometer to search for neutrinoless double beta decay of Mo-100» Astroparticle Physics, 2016, V. 72, pp. 38–45. 6.P. A. Popov, S. A. Skrobov, N. V. Mitroshenkov, V. N. Shlegel, V. D. Grigorieva, «Thermal Conductivity of Na2W2O7 Crystal» Physics of the Solid State, 2016, V. 58, No. 8, pp. 1716–1718. 7.Armengaud E., Augier C., Barabash A.S., Grigorieva V.D. et al. «Development of 100Mo-containing scintillating bolometers for a high-sensitivity neutrinoless double-beta decay search» European Physical Journal C, 2017, 77:785. 8.Shlegel V.N., Borovlev Yu.A, Grigoriev D.N., Grigorieva V.D., Danevich F.A., Ivannikova N.V., Postupaeva A.G., Vasiliev Ya.V. «Recent progress in oxide scintillation crystals development by low-thermal gradient Czochralski technique for particle physics experiments» Journal of Instrumentation, 2017, Volume 12 C08011. 9.Pandey Indra Raj, Kim H.J. , Lee H.S., Kim Y.D., Lee M.H., Grigorieva V.D., Shlegel V.N. «The Na2W2O7 crystal: a crystal scintillator for dark matter search experiment» European Physical Journal C, 2018, 78:973. 10.Solntsev V.P., Bekker T.B., Davydov A.V., Yelisseyev A.P., Rashchenko S.V., Kokh A.E., Grigorieva V.D., Park S.-H.. «Optical and Magnetic Properties of Cu-Containing Borates with "antizeolite" Structure» Journal of Physical Chemistry C, 2019, V. 123, I. 7, 21, 4469-4474. 11.Matskevich N.I., Shlegel V.N., Stankus S.V., Grigorieva V.D., Samoshkin D.A., Zaitsev V.P., Kuznetsov V.A. “New mixed oxides on the basis of bismuth niobate and lithium molybdate” Materials Today: Proceedings, 2019, 25, с. 367-369. 12.Alenkov V., Bae H.W., Beyer J., Grigoryeva V.D., Makarov E.P., Shlegel V.N. et al. «First results from the AMoRE-Pilot neutrinoless double beta decay experiment» European Physical Journal C, 2019, Volume 79, Issue 9, 791. 13.Armengaud, E., Augier, C., Barabash, Grigorieva V.D., A.S., Yakushev, E., Zolotarova, A.S. et al. “Precise measurement of 2ν2β decay of 100Mo with Li2MoO4 low temperature detectors: Preliminary results” AIP Conference Proceedings, 2019, 2165, 020005. 14.Armengaud E., Augier, C., Barabash A.S., Borovlev Yu.A., Grigorieva V.D., Makarov E.P., Shlegel V.N., Yakushev E., Zolotarova A.S. et al. “The CUPID-Mo experiment for neutrinoless double-beta decay: performance and prospects” European Physical Journal C, 2020, 80(1), 44. 15.Ryadun A.A., Rakhmanova M.I., Grigorieva V.D. «Photoluminescence properties of perspective bolometric crystals Na2Mo2O7 and Na2W2O7 grown by low-thermal-gradient Czochralski technique» Optical Materials, 2020, 99, 109537. 16.Degoda V.Y., Danevich F.A., Grigorieva V.D., Pogust G.P., Shlegel V.N., Stanovyy O. “Luminescence of Li2W1-0.05Mo0.05O4 crystal under X-ray excitation” Optik, 2020, 206, 164273. 17.Ryadun A.A., Rakhmanova M.I., Grigorieva V.D. «Effect of Cu doping on properties of PbMoO4 single crystals as materials for luminescence thermometry» Materials Technology, 2020. 18.Kowalczyk M., Ramazanova T.F., Grigoryeva V.D., Shlegel V.N., Kaczkan M., Fetliński B., Malinowski M. “Optical investigation of Eu3+ doped Bi12GeO20 (BGO) crystals” Crystals, 2020, 10(4), 285.. 19.Armengaud, E., Augier, C., Barabash, A.S., Borovlev Yu. A., Grigorieva V.D., Makarov E.P., Shlegel V.N., Yakushev, E., Zolotarova, A.S. et al. “Precise measurement of 2νββ decay of 100 Mo with the CUPID-Mo detection technology” European Physical Journal C, 2020, 80(7), 674. 20.Musikhin, A.E., Bespyatov, M.A., Shlegel, V.N., Grigorieva, V.D. "Thermodynamic properties and phonon density of states of Na2Mo2O7 using heat capacity measurements from 5.7 to 310 K” Journal of Alloys and Compounds, 2020, 830,154592. 21.I. Novoselov, O.V. Gileva, J.S. Choe, K.A. Shin, V.N. Shlegel’, V.D. Grigorieva, M.H. Lee, Y.Kim, H.K. Park «Preparation of Extra-pure Na2CO3 Powder with Crystallization Techniques for Low-Background Scintillation Crystal Growth» Inorganic Materials, 2020, 56(8), pp. 867-874. 22.S. Nagorny, C. Rusconi, S. Sorbino, J.W. Beeman, F. Bellini, L. Cardani, V.D. Grigorieva, L. Pagnanini, S. Nisi, I.I. Novoselov, S. Pirro, K. Schäffner, V.N. Shlegel “Na-based crystal scintillators for next-generation rare event searches” Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 2020, 977, 164160. 23.Chunaev D.S., Lukanin V.I., Shukshin V.E., Zverev P.G., Shlegel V.N., Grigorieva V.D. «Stimulated Raman scattering in disodium ditungstate crystal» Laser Physics Letters, 2020, 17(1), 015801. 24.Matskevich N.I., Shlegel V.N., Stankus S.V., Grigorieva V.D., Samoshkin D.A., Zaitsev V.P., Kuznetsov V.A. “New mixed oxides on the basis of bismuth niobate and lithium molybdate” Materials Today: Proceedings, 2020, 25, с. 367-369. 25.Ryadun A.A., Rakhmanova M.I., Grigorieva V.D. “Optical properties of Pb2MoO5 and Pb2WO5 single crystals as materials for practical applications” Optik, 2020, 165912 External Resource: 12:05pm - 12:25pm ID: 268 / MS-76(59b): 6 Bursary application Oral/poster MS: Crystal chemistry with emerging technology Keywords: semi-organic compounds, NLO properties, THG technique, correlation Correlation between structural studies and third order NLO properties of three new semi-organic compounds Rim Benali-Cherif¹, Radhwane Takouachet¹, El-Eulmi Bendeif², Nourredine Benali-Cherif³ ¹Abbes Laghrour Khenchela University, Khenchela, Algeria; ²Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2, UMR CNRS 7036). France; ³Houari Boumédiène (USTHB)-Member of Algerian Academy of Sciences and Technology (AAST) Algiers. Algeria Bibliography Falek. W, Benali-Cherif. R, Golea. L, Samai. S, Benali-Cherif. N, Bendeif. E.-E, Daoud. I. Journal of Molecular Structure. 1192 (2019) 132-144 « A structural comparative study of charge transfer compounds: Synthesis, crystal structure, IR, Raman-spectroscopy, DFT computation and hirshfeld surface analysis » External Resource: 12:25pm - 12:45pm ID: 231 / MS-76(59b): 7 Bursary application Oral/poster MS: Perovskites, Phase transitions in complex materials (structure and magnetism), Crystal chemistry with emerging technology Posters only: Structure and phase transitions in advanced materials, Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Phase transitions, X-ray diffraction, Mössbauer spectrometry, Raman spectroscopy, UV– Vis spectroscopy Structural, magnetic and optical properties study of tellurium–based: Sr_3–xPb_xFe₂TeO₉ (0 ≤ x ≤ 2.25) double perovskites Abdelhadi El Hachmi¹, Bouchaib Manoun^1,2, Mohammed Sajieddine³, Peter Lazor⁴ ¹Laboratoire Rayonnement Matière et Instrumentation, S3M, FST, University Hassan 1er, 26000 Settat, Morocco; ²Materials Science and nano–engineering (MSN), University Mohammed VI Polytechnic, Lot 660 Hay Moulay Rachid, 43150 Ben Guerir, Morocco; ³Material Physics Laboratory, Faculty of Sciences and Techniques, Sultan Moulay Sliman University, B.P. 523, 23000 Beni–Mellal, Morocco; ⁴Department of Earth Sciences, Uppsala University, SE–752 36, Uppsala, Sweden Bibliography A. El Hachmi, B. Manoun, M. Sajieddine, Y. Tamraoui, S. El Ouahbi. Synthesis, structural and optical properties of perovskites–type: Sr3Fe2+xMo1–xO9–3x/2 (x = 0.30, 0.45, 0.60, 0.75 and 1.00). Polyhedron 200 (2021) 115133. https://doi.org/10.1016/j.poly.2021.115133 A. El Hachmi, B. Manoun, Y. Tamraoui, S. Louihi, L. Bih, M. Sajieddine and P. Lazor. Structural and Mössbauer studies of Sr1.5Ca1.5Fe2.25Mo0.75O9–δ and Sr1.92Ca1.08Fe2.04W0.96O9–δ double perovskites. Journal of Structural Chemistry, 61, 861–872 (2020). https://doi.org/10.1134/S0022476620060049 El Hachmi, A., El Bachraoui, F., Louihi, S. et al. ‘Structural, Magnetic and Optical Properties Study of Tellurium–Based Perovskites: Sr3−xPbxFe2TeO9 (0 ≤ x ≤ 2.25)’. Journal of Inorganic and Organometallic Polymers and Materials, 30, 1990–2006 (2020). https://doi.org/10.1007/s10904-020-01446-4
10:20am - 12:45pm	MS-77(71b): Disordered materials: spectroscopic and scattering techniques II Location: 223-4 Session Chair: Simon Billinge Session Chair: Angela Trapananti Invited: Lars G. M. Pettersson (Sweden), Maxwell Terban (Germany) Introduction
	10:20am - 10:25am ID: 1808 / MS-77(71b): 1 Introduction Oral/poster Introduction to session Simon Billinge, Angela Trapananti 10:25am - 10:55am ID: 1343 / MS-77(71b): 2 All topics Invited lecture to session MS: Disordered materials: spectroscopic and scattering techniques Keywords: Reverse Monte Carlo, Spectroscopy, Diffraction SpecSwap-RMC: A Generalized RMC Approach to Structure, Combining Scattering and Spectroscopic Data Lars G.M. Pettersson Stockholm University, Stockholm, Sweden External Resource: 10:55am - 11:25am ID: 1304 / MS-77(71b): 3 All topics Oral/poster MS: Structure solution and poorly crystalline materials, Disordered materials: spectroscopic and scattering techniques Keywords: covalent organic frameworks (COFs), total scattering, pair distribution function (PDF) Developing more precise structural descriptions of layered covalent organic frameworks using total scattering data Maxwell W. Terban¹, Lars Grunenberg^1,2, Alexander M. Pütz^1,2, Sebastian Bette¹, Gökcen Savasci^1,2,3, Robert E. Dinnebier¹, Bettina V. Lotsch^1,2,3 ¹Max Planck Institute for Solid State Research, Stuttgart, Germany; ²Department of Chemistry, Ludwig- Maximilians-Universität (LMU), Munich, Germany; ³Exzellenzcluster E-conversion, Garching, Germany and Center for NanoScience, Munich, Germany External Resource: 11:25am - 11:45am ID: 954 / MS-77(71b): 4 Materials and minerals Oral/poster MS: Disordered materials: spectroscopic and scattering techniques Keywords: Total scattering, Pair distribution function analysis, disorder, nano-crystalization, battery electrode materials Order-disorder transitions in battery electrodes studied by operando X-ray scattering Dorthe Ravnsbæk, Christian Kolle Christensen, Christian Lund Jakobsen, Martin Karlsen University of Southern Denmark, Odense M, Denmark External Resource: 11:45am - 12:05pm ID: 1164 / MS-77(71b): 5 Methods and instruments Oral/poster MS: Disordered materials: spectroscopic and scattering techniques Keywords: Catalyst, Pair distribution function, X-ray absorption spectroscopy Insight into the structure of SiO₂-supported Ni-Ga nanoparticles for catalytic application via X-ray absorption spectroscopy and total scattering Nora K. Zimmerli, Paula M. Abdala, Christoph R. Mueller ETH Zurich, Zurich, Switzerland External Resource: 12:05pm - 12:25pm ID: 844 / MS-77(71b): 6 Materials and minerals Oral/poster MS: Complex structures of minerals and inorganic materials, Disordered materials: spectroscopic and scattering techniques Keywords: Single-Crystal Diffuse scattering; 3D-delta-PDF; short-range order; Hidden phases; Thermoelectrics Tuneable Local Structure in Thermoelectric Crystals Nikolaj Roth University of Oxford, Oxford, United Kingdom External Resource: 12:25pm - 12:45pm ID: 814 / MS-77(71b): 7 Materials and minerals Oral/poster MS: Disordered materials: spectroscopic and scattering techniques Keywords: oxide-glass structure; total scattering; Pair Distribution Function; EXAFS Structure of complex aluminosilicate oxide-glasses: the role of zinc intermediate element. Andrea Bernasconi^1,2, Monica Dapiaggi¹, Daniel T Bowron³, Giovanni Agostini^2,4, Alessandro Pavese⁵ ¹University of Milan, Milano, Italy; ²ESRF The European Synchrotron, Grenoble, France; ³ISIS Pulsed Neutron and Muon Source, Didcot, UK; ⁴ALBA Synchrotron, Barcelona, Spain; ⁵University of Torino, Torino, Italy External Resource:
10:20am - 12:45pm	MS-78: Science meets art: X-ray spectrometry and X-ray diffraction in art and archaeology Location: Club H Session Chair: Gilberto Artioli Session Chair: Sebastian Bette Invited: Katrien Keune (Netherlands), Christoph Berthold (Germany) Introduction
	10:20am - 10:25am ID: 1809 / MS-78: 1 Introduction Oral/poster Introduction to session Gilberto Artioli, Sebastian Bette 10:25am - 10:55am ID: 1485 / MS-78: 2 Materials and minerals Invited lecture to session MS: X-ray spectrometry and X-ray diffraction in art and archaeology Keywords: painting, cultural heritage, imaging, X-ray powder diffraction, synchrotron Operation Night Watch: macro- and microscale X-ray imaging studies on the Rembrandts’ masterpiece The Night Watch in the Rijksmuseum. Katrien Keune¹, Victor Gonzalez¹, Annelies Loon¹, Frederique Broers¹, Nouchka Keyser de¹, Petria Noble¹, Frederik VanMeert², Steven DeMeyer², Koen Janssens² ¹Rijksmuseum, Amsterdam, Netherlands, The; ²AXES Research Group, NANOLab Centre of Excellence, University of Antwerp, Belgium, External Resource: 10:55am - 11:25am ID: 1620 / MS-78: 3 Methods and instruments Invited lecture to session MS: X-ray spectrometry and X-ray diffraction in art and archaeology Keywords: Microdiffraction, Spectroscopy, Archaeometry, Microanalysis X-ray Microdiffraction of Cultural Heritage: Potentials und Limitations Christoph Berthold University of Tuebingen, CCA-BW, Tübingen, Germany External Resource: 11:25am - 11:45am ID: 1045 / MS-78: 4 All topics Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology Keywords: metal carboxylates, pigment-binder interactions, paintings, XRPD XRPD as a tool for the study of pigment-binder interactions: from metal formates to long-chain carboxylates Silvie Švarcová¹, Eva Kočí¹, Petr Bezdička¹, Silvia Garrappa¹, Jiří Plocek¹, Ruslan Barranikov¹, Libor Kobera² ¹Institute of Inorganic chemistry of the Czech Academy of Sciences, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; ²Institute of Macromolecular Chemistry of the Czech Academy of Sciences, Heyrovského nám. 2, 162 06, Praha 6, Czech Republic External Resource: 11:45am - 12:05pm ID: 623 / MS-78: 5 Bursary application Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, Nanocrystalline materials Keywords: X-ray diffraction; forensic science; fleshed bone; crystallographic parameters Effects of soft tissue on the crystallographic changes to bone mineral upon heating Hannah Louise Cross, Charlene Elizabeth Greenwood Keele University, Liverpool, United Kingdom Bibliography No current publications External Resource: 12:05pm - 12:25pm ID: 789 / MS-78: 6 All topics Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, Science meets art: Crystallography and cultural heritage Keywords: multidisciplinary study; synchrotron radiation; roman ink A multidisciplinary study unveils the nature of a Roman ink of the I century AD Chiaramaria Stani¹, Lara Gigli², Simone Pollastri², Mirta Sibilia³, Alessandro Migliori³, Francesco D’Amico², Chiara Schmid⁴, Sabina Licen⁵, Matteo Crosera⁵, Gianpiero Adami⁵, Pierluigi Barbieri⁵, Jasper R. Plaisier², Giuliana Aquilanti², Lisa Vaccari², Stefano Buson⁶, Federica Gonzato⁶ ¹CERIC-ERIC, Basovizza, Trieste, Italy; ²Elettra Sincrotrone Trieste S.C.p.A, Basovizza, Trieste, Italy; ³Nuclear Science and Instrumentation Laboratory, Physics section, IAEA, Seibersdorf, Austria; ⁴Department of Engineering and Architecture, University of Trieste, Trieste, Italy; ⁵Department of Chemical and Pharmaceutical Sciences, University of Trieste, Trieste, Italy; ⁶Museo Nazionale Atestino, Este, Padova, Italy External Resource: 12:25pm - 12:45pm ID: 841 / MS-78: 7 General interest Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Transmission Electron Microscopy, EDT, Ancient artefact, Corrosion, Conservation A new tool for ancient artefact conservation studies: Electron Diffraction Tomography to study blue corrosion product in Chinese Bronze sample Partha Pratim Das¹, Enrico Mugnaioli², Quanyu Wang³, Stavros Nicolopoulos¹, Mauro Gemmi² ¹NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, 1050, Brussels, Belgium; ²Center for Nanotechnology Innovation@NEST, Istituto Italiano di Tecnologia, Piazza San Silvestro 12, 56127, Pisa, Italy; ³Institute of Cultural Heritage, Shandong University, 72 Jimo Binhailu, Qingdao 266237, China External Resource:
10:20am - 12:45pm	MS-79(69b): Complex structures of minerals and inorganic materials Location: Club B Session Chair: Marie Colmont Session Chair: Sergey V. Krivovichev Introduction
	10:20am - 10:25am ID: 1810 / MS-79(69b): 1 Introduction Oral/poster Introduction to session Marie Colmont, Sergei Krivovichev 10:25am - 10:55am ID: 1185 / MS-79(69b): 2 Materials and minerals Oral/poster MS: Complex structures of minerals and inorganic materials Keywords: high pressure, electron density, theoretical structure factors Tracing electron density changes in langbeinite under pressure Roman Gajda¹, Dongzhou Zhang², Jan Parafiniuk³, Przemysław Dera⁴, Krzysztof Woźniak¹ ¹Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, 101 Żwirki i Wigury, Warszawa, 02-089, Poland; ²APS, University of Chicago, 9700 S Cass Ave, Bldg 434A, Argonne, IL 60439, USA; ³Institute of Geochemistry, Mineralogy and Petrology, Department of Geology, University of Warsaw, Żwirki i Wigury 93, Warszawa 02-089, Poland; ⁴Hawaii Institute of Geophysics and Planetology, School of Ocean and Earth Science and Technology, University of Hawaii at Manoa, 1680 East West Road, Honolulu, Hawaii 96822, USA External Resource: 10:55am - 11:25am ID: 1366 / MS-79(69b): 3 Chemical crystallography, crystal structures Oral/poster MS: Complex structures of minerals and inorganic materials, Quantum crystallographic studies on intra/inter-molecular interactions Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: High-resolution X-ray Diffraction, Experimental Electron Density Distribution, Minerals, QTAIM, Perovskites Experimental Electron Density Distribution and QTAIM Topological Analysis for the Perovskite Mineral: Sulphohalite – Na₆(SO₄)₂FCl Agata Wróbel, Roman Gajda, Krzysztof Woźniak Department of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Poland. External Resource: 11:25am - 11:45am ID: 1310 / MS-79(69b): 4 Materials and minerals Oral/poster MS: Complex structures of minerals and inorganic materials Keywords: high pressure, charge redistribution, multipole model, atomic basin Direct observation of pressure induced charge density redistribution at ions in zeolite, hsianghualite Marcin Stachowicz, Roman Gajda, Krzysztof Woźniak University of Warsaw, Warsaw, Poland External Resource: 11:45am - 12:05pm ID: 680 / MS-79(69b): 5 Materials and minerals Oral/poster MS: Complex structures of minerals and inorganic materials, Function and application of porous crystals Keywords: Zeotype, ion-exchange, titanium, zirconium Structural studies of titanium and zirconium silicate ion-exchange materials for the treatment of nuclear waste Jennifer Readman University of Central Lancashire, Preston, United Kingdom External Resource: 12:05pm - 12:25pm ID: 155 / MS-79(69b): 6 Chemical crystallography, crystal structures Oral/poster MS: Complex structures of minerals and inorganic materials, Crystal chemistry with emerging technology, Non-covalent interactions in crystal engineering Keywords: Anion-π and Halide-Halide Non-Bonding Interactions; Crystal and Magnetic Structure; Halometallate Complex; Magneto-Structural Correlations; Three-Dimensional Magnetic Ordering, Ferroelectric, dielectric response. Crystal and Magnetic structures and Dielectric phase transition of the novel Organic-Inorganic Hybrid Halometallate compound: (quinuclidine)[FeCl₄] Palmerina González-Izquierdo^1,2, Oscar Fabelo¹, Imanol de Pedro del Valle², María Teresa Fernández-Díaz¹, Laura Canadillas-Delgado¹, Garikoitz Beobide³, Manuel Sánchez Andújar⁴ ¹ILL, Grenoble, France; ²CITIMAC, Universidad de Cantabria, Spain; ³Inorganic Chemistry, Universidad del Pais Vasco, EHU/UPV, Spain; ⁴Department of Chemistry, Universidade da Coruna, Spain External Resource:
10:20am - 12:45pm	MS-80: 4th generation SR and XFEL Facilities Location: Terrace 2A Session Chair: Makina Yabashi Session Chair: Sofia Diaz-Moreno Invited: Jean Susini (France) Introduction
	10:20am - 10:25am ID: 1811 / MS-80: 1 Introduction Oral/poster Introduction to session Makina Yabashi, Sofia Diaz-Moreno 10:25am - 10:55am ID: 1560 / MS-80: 2 Methods and instruments Invited lecture to session MS: 4th generation SR and XFEL Facilities Keywords: DLSR, Synchrotron Radiation, coherence The ultra-low emittance synchrotron storage rings: a new paradigm for matter characterization. Jean Susini Synchrotron SOLEIL, Gif sur Yvette, France External Resource: 10:55am - 11:15am ID: 1243 / MS-80: 3 Methods and instruments Oral/poster MS: 4th generation SR and XFEL Facilities Keywords: Keywords: X-ray free-electron laser; nano-focusing, pump-probe, x-ray damage; Ultrafast structural changes in matter induced by intense X-ray free-electron laser pulses Ichiro Inoue¹, Yuichi Inubushi^1,2, Taito Osaka¹, Toru Hara¹, Eiji Nishibori³, Makina Yabashi¹ ¹RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo, Hyogo 679-5148, Japan.; ²Japan Synchrotron Radiation Research Institute, Kouto 1-1-1, Sayo, Hyogo 679-5198, Japan; ³University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan. External Resource: 11:15am - 11:35am ID: 1191 / MS-80: 4 All topics Oral/poster MS: 4th generation SR and XFEL Facilities Keywords: Pink-beam; serial femtosecond crystallography; de novo protein structure determination; X-ray crystallography; SFX; SAD; single-wavelength anomalous diffraction; XFEL; large-bandwidth Pink-beam serial femtosecond crystallography for accurate structure factor determination at an X-ray free electron laser Karol Nass¹, Camila Bacellar¹, Claudio Cirelli¹, Florian Dworkowski¹, Yaroslav Gevorkov², Daniel James¹, Philip J. M. Johnson¹, Demet Kekilli¹, Gregor Knopp¹, Isabelle Martiel¹, Dmitry Ozerov¹, Alexandra Tolstikova², Laura Vera¹, Tobias Weinert¹, Oleksandr Yefanov², Joerg Standfuss¹, Sven Reiche¹, Christopher J. Milne¹ ¹Paul Scherrer Institut, Forschungstrasse 111, Villigen, 5232, Switzerland; ²Center for Free-Electron Laser Science, Notkestrasse 85, Hamburg, 22607, Germany External Resource: 11:35am - 11:55am ID: 159 / MS-80: 5 Methods and instruments Oral/poster MS: 4th generation SR and XFEL Facilities Keywords: Organism relevant temperature; Organism chemistry; Extremely Bright Sources; XFELs; Neutrons; Electrons Towards a structural biology at organism relevant temperature and chemical conditions John Richard Helliwell University of Manchester, Manchester, United Kingdom External Resource: 11:55am - 12:15pm ID: 772 / MS-80: 6 Methods and instruments Oral/poster MS: Ptychography: present and near future, New applications of coherent scattering, 4th generation SR and XFEL Facilities Keywords: Coherence, X-rays, Ultrafast, dynamical, diffraction Ultrafast dynamical diffraction wavefronts in strained Si imagined with Tele-ptychography Angel Rodriguez-Fernandez¹, Ana Diaz², Anand H. S. Iyer³, Mariana Verezhak², Klaus Wakonig², Magnus H. Colliander³, Dina Carbone⁴ ¹Eu XFEL GmbH, Schenefeld, Germany; ²Paul Scherrer Institute, Villigen PSI, Switzerland; ³Chalmers University of Technology, Gothenburg, Sweden; ⁴MAX IV, Lund University, Lund, Sweden External Resource: ID: 874 / MS-80: 7 Methods and instruments Oral/poster MS: 4th generation SR and XFEL Facilities Keywords: hybrid photon-counting, X-ray detector, time-resolved, Cadmium Telluride Advances with EIGER2 (CdTe) detectors for Synchrotron and Laboratory Stefan Brandstetter, Max Burian Dectris Ltd, Baden-Daettwil , Switzerland External Resource:
12:45pm - 2:45pm	Lunch 6: Posters, lunches Location: Exhibition and poster area
1:00pm - 2:30pm	ECA - SIG-11: ECA - SIG-11 Crystallography under Extreme Conditions Location: Club A Link
1:00pm - 2:30pm	ECA - SIG-13: ECA - SIG-13 Molecular Structure and Chemical Properties Location: virtual Link
1:00pm - 2:30pm	ECA - SIG-14: ECA - SIG-14 Dynamics, Disorder, Diffuse Scattering Location: Club D Link
1:00pm - 2:30pm	ECA - SIG-2: ECA - SIG-2 Quantum Crystallography Location: Club H Link
1:00pm - 2:30pm	ECA - SIG-9: ECA - SIG-9 Crystallographic Computing Location: virtual Link
1:00pm - 2:30pm	ECA-1: ECA EC meeting 2 Location: Club C Session Chair: Udo Heinemann Session Chair: Arie van der Lee ECA EC meeting
1:45pm - 2:45pm	ECA - SIG-7: ECA - SIG-7 Molecular Interaction and Recognition Location: virtual Link
2:45pm - 3:50pm	SMS-6: Spectroscopy applied to electrochemistry: operando studies Location: Club C Session Chair: Jasper Rikkert Plaisier Session Chair: Dibyendu Bhattacharyya Invited: Moniek Tromp (The Netherlands), Mahalingam Balasubramanian (USA) Introduction
	2:45pm - 2:50pm ID: 1839 / SMS-6: 1 Introduction Oral/poster Introduction to session Jasper Rikkert Plaisier, Dibyendu Bhattacharyya 2:50pm - 3:20pm ID: 1411 / SMS-6: 2 All topics Invited lecture to session MS: Spectroscopy applied to electrochemistry: operando studies Keywords: novel operando XAS cell design Operando X-ray Absorption Spectroscopy probing Dynamic Processes in Batteries Moniek Tromp University of Groningen, Groningen, Netherlands, The External Resource: 3:20pm - 3:50pm ID: 559 / SMS-6: 3 Bursary application Oral/poster MS: In-situ and operando studies of battery materials, Spectroscopy applied to electrochemistry: operando studies, Energy Materials Keywords: Na-ion batteries, cathode materials, operando XAS, sodium iron titanites Operando diagnostics of cathode materials based on novel sodium iron titanites Victor Vasilevich Shapovalov¹, Alexander Alexandrovich Guda¹, Vera Valerevna Butova¹, Abdelaziz Mohamed Aboraia¹, Igol Leonidovich Shukaev², Alexander Vladimirovich Soldatov¹ ¹Smart Materials Research Institute, Southern Federal University, Rostov-on-Don, Russian Federation; ²Department of Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation Bibliography 1) Inna V. Lisnevskaya, Ksenia V. Myagkaya, Vera V. Butova, Victor V. Shapovalov, Yury V. Rusalev, Heba Y. Zahran, Ibrahim S. Yahia, Alexander V. Soldatov, Ceramics International 2020 46 (5) 6333-6341 DOI: 10.1016/j.ceramint.2019.11.109 2) Shukaev, I.L., Butova, V.V., Chernenko, S.V., Pospelov, A.A., Shapovalov, V.V., Guda, A.A., Aboraia, A.M., Zahran, H.Y., Yahia, I.S., Soldatov, A.V., Ceramics International, 2020 46 (4) 4416-4422 DOI: 10.1016/j.ceramint.2019.10.167 3) A.A. Guda, M. Chegerev, A. Starikov, V. Vlasenko, A. Zolotukhin, M. Bubnov, V. Cherkasov, V. Shapovalov, Yu. Rusalev, A. Tereshchenko, A. Trigub, A. Chernyshev, A. Soldatov, Materials Research Bulletin 2020 in press 4) Abdelaziz M.Aboraia, V.V.Shapovalov, K.Vetlitsyna-Novikova, A.A.Guda, V.V.Butova, H.Y.Zahran, I.S.Yahia, A.V.Soldatov, Journal of Physics and Chemistry of Solids 2020 136 109192, DOI: 10.1016/j.jpcs.2019.109192 5) M.V. Kirichkov, A.A. Guda, A.P. Budnyk, A.L. Bugaev, T.A. Lastovina, V.V. Shapovalov, S.A. Guda, A.L. Trigub, Yu.V. Rusalev, A.V. Chernyshev, C. Lamberti, A.V. Soldatov, Radiation Physics and Chemistry 2020, DOI: 10.1016/j.radphyschem.2018.11.021 6) Inna V. Lisnevskaya, Vera V. Butova, Yury V. Rusalev, Victor V. Shapovalov, Heba Y. Zahran, Ibrahim S. Yahia, Alexander V. Soldatov, Applied Physics A 2020 126 (168) DOI: https://doi.org/10.1007/s00339-020-3359-1 7) Lisnevskaya, I.V., Butova, V.V., Perebeinos, M.I., Myagkaya, K.V., Letovaltsev, A.O., Shapovalov, V.V., Zahran, H.Y., Yahia, I.S., Soldatov, A.V., Comments on Inorganic Chemistry 2019 39 (5) 270-286 DOI: 0.1080/02603594.2019.1643331 8) Chernyshev, A.V., Guda, A.A., Cannizzo, A., Solov'Eva, E.V., Voloshin, N.A., Rusalev, Y., Shapovalov, V.V., Smolentsev, G., Soldatov, A.V., Metelitsa, A.V., Journal of Physical Chemistry B 2019 123 (6) 1324-1331 DOI: 10.1021/acs.jpcb.8b11010 9) V.V. Butova, E.A. Bulanova, V.A. Polyakov, A.A. Guda, A.M. Aboraia, V.V. Shapovalov, H.Y. Zahran, I.S. Yahia, A.V. Soldatov, Inorganica Chimica Acta 2019 492 18-22 DOI: 10.1016/j.ica.2019.04.011 10) Vetlitsyna-Novikova, K.S., Butova, V.V., Pankin, I.A., Shapovalov, V.V., Soldatov, A.V., Journal of Surface Investigation 2019 13 787-792 DOI: 10.1134/S1027451019050173 11) D.A. Guk, O.O. Krasnovskaya, N.S. Dashkova, D.A. Skvortsov, M.P. Rubtsova, V.P. Dyadchenko, E.S. Yudina, M.A. Kosarev, A.V. Soldatov, V.V. Shapovalov, A.S. Semkina, K.Y. Vlasova, V.I. Pergushov, R.R. Shafikov, A.A. Andreeva, M.Ya. Melnikov, N.V. Zyk, A.G. Majouga, E.K. Beloglazkina, Dalton Transactions 2018 47 (48) 17357-17366 DOI: 10.1039/c8dt03164a 12) I.A. Pankin, A.A. Guda, N.A. Tumanov, Ya. Filinchuk, K.A. Lomachenko, A.L. Bugaev, S.A. Guda, V.V. Shapovalov, C. Lamberti, A.V. Soldatov, Journal of Alloys and Compounds 2018 735 277-284 DOI: 10.1016/j.jallcom.2017.11.062 13) V.V.Shapovalov, A.A.Guda, N.V.Kosova, S.P.Kubrin, O.A.Podgornova, A.Aboraia, C.Lamberti, A.V.Soldatov, Radiation Physics and Chemistry 2018 DOI: 10.1016/j.radphyschem.2018.11.019 14) P.V. Medvedev, M.A. Soldatov, V.V. Shapovalov, A.A. Tereshchenko, I.E. Gorban’, A.G. Fedorenko, A.V. Soldatov, JETP Letters 2018 108 (5) 318–325 DOI: 10.1134/S0021364018170083 15) V. V. Shapovalov, A. A. Guda, I. A. Pankin, A. Pohl, A. V. Soldatov, Journal of Structural Chemistry 2018 59 (7) 1719–1725 DOI: 10.1134/S0022476618070272 16) L.V. Guda, A.N. Kravtsova, S.P. Kubrin, M.I. Mazuritsky, M.V. Kirichkov, Yu.V. Rusalyov, V.V. Shapovalov, A.V. Soldatov, Journal of Structural Chemistry 2018 59 (8) 1921-1928 DOI: 10.1134/S0022476618080140
2:45pm - 5:10pm	MS-81: Nucleic acids and binding proteins structure and function Location: Club A Session Chair: Stephen Neidle Session Chair: Charles Bond Invited: Millie Georgiadis (USA), Liliya Yatsunyk (USA)
	2:45pm - 2:50pm ID: 1812 / MS-81: 1 Introduction Oral/poster Introduction to session Stephen Neidle, Charles Bond 2:50pm - 3:20pm ID: 169 / MS-81: 2 Biological and macromolecular crystallography Invited lecture to session MS: Nucleic acids and protein - nuclear acid interactions Keywords: G-quadruplex DNA, i-motif, X-ray crystallography, ligand binding Non-canonical DNA structures and their interactions with small molecule ligands Liliya A. Yatsunyk, Dana Beseiso, Sawyer McCarthy, Erin Chen, Elizabeth Gallagher, Joanne Miao Swarthmore College, 500 College Ave, Swarthmore, PA, United States of America External Resource: 3:20pm - 3:50pm ID: 1564 / MS-81: 3 Biological and macromolecular crystallography Invited lecture to session MS: Nucleic acids and protein - nuclear acid interactions Keywords: Alien DNA; crystal structure; helical form; host-guest; unnatural base pair Structural properties of Alien DNA, an alternative genetic system Millie M. Georgiadis¹, Shuichi Hoshika², Steven Benner² ¹Indiana University School of Medicine, Indianapolis, Indiana, United States of America; ²Foundation for Applied Molecular Evolution, Alachua, Florida, United States of America External Resource: 3:50pm - 4:10pm ID: 849 / MS-81: 4 Biological and macromolecular crystallography Oral/poster MS: Nucleic acids and protein - nuclear acid interactions Keywords: APE1, DNA repair, Exonuclease, Protein-Nucleic Acid Interaction, Protein-DNA complex APE1 Exonuclease Distinguishes Various DNA Substrates by an Induced Space-Filling Mechanism. Tung-Chang Liu², Chun-Ting Lin¹, Kai-Cheng Chang¹, Kai-Wei Guo², Shuying Wang³, Jhih-Wei Chu⁴, Yu-Yuan Hsiao² ¹Department of Biological Science and Technology, National Yang Ming Chiao Tung University, Hsinchu 30068, Taiwan; ²Institute of Molecular Medicine and Bioengineering, National Chiao Tung University, Hsinchu 30068, Taiwan; ³Department of Microbiology and Immunology, College of Medicine, National Cheng Kung University, Tainan, Taiwan; ⁴Institute of Bioinformatics and Systems Biology, National Chiao Tung University, Hsinchu, 30068, Taiwan External Resource: 4:10pm - 4:30pm ID: 738 / MS-81: 5 Bursary application Oral/poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of viruses - in memory of Michael Rossmann Special sessions: Exemplary practice in chemical, biological and materials database archiving Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: Hereditary breast cancer, BRCA1, BRCT, DNA binding region Structural characterization of clinically reported missense mutations identified in BRCA1 Neha Mishra, Suchita Dubey, Ashok K Varma Tata Memorial Centre Advanced Centre for Treatment, Research and Education in Cancer, Mumbai, India Bibliography Manuscript under preparation External Resource: 4:30pm - 4:50pm ID: 1306 / MS-81: 6 Biological and macromolecular crystallography Oral/poster MS: Nucleic acids and protein - nuclear acid interactions, Macromolecular machines and hybrid methods to crystallography Keywords: riboswitch, crystal phase transition, time-resolved crystallography, conformational space Solid-solid phase transition in adenine riboswitch crystals driven by large conformational changes induced by ligand Jason R. Stagno¹, Saminathan Ramakrishnan¹, William F. Heinz², Valentin Magidson², Xiaobing Zuo³, Yun-Xing Wang¹ ¹Center for Structural Biology, Centre for Cancer Research, National Cancer Institute, Frederick, MD-21702, USA.; ²Optical Microscopy and Analysis Laboratory, Cancer Research Technology Program, Frederick National Laboratory for Cancer Research, Frederick, MD 21702, USA.; ³X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA External Resource: ID: 1500 / MS-81: 7 Biological and macromolecular crystallography Poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of eukaryotic immune systems, Structural biology of receptors, signaling and membrane proteins Keywords: crystal structure; immune system; nucleic acid Molecular mechanism of self-antigen recognition by the ligand binding domain of B cell inhibitory co-receptor CD72 Nobutaka Numoto¹, Kunio Hirata², Chizuru Akatsu³, Takeshi Tsubata³, Nobutoshi Ito¹ ¹Department of Structural Biology, Medical Research Institute, Tokyo Medical and Dental University, Tokyo, Japan; ²RIKEN SPring-8 Center, Hyogo, Japan; ³Department of Immunology, Medical Research Institute, Tokyo Medical and Dental University, Tokyo, Japan External Resource:
2:45pm - 5:10pm	MS-82: Handling of big data in crystallography Location: 223-4 Session Chair: Wladek Minor Session Chair: Brinda Vallat Introduction
	2:45pm - 2:50pm ID: 1813 / MS-82: 1 Introduction Oral/poster Introduction to session Wladek Minor, Brinda Vallat 2:50pm - 3:20pm ID: 1386 / MS-82: 2 Theory, computation, modelling, data, standards Oral/poster MS: Handling of big data in crystallography Keywords: protein crystallography, X-ray diffraction, reproducibility, big data IRRMC (https:// proteindiffraction.org): Impact on quality of structures in PDB Marek Grabowski, Marcin Cymborowski, David Cooper, Wladek Minor UNIVERSITY OF VIRGINIA, Charlottesville, United States of America External Resource: 3:20pm - 3:50pm ID: 660 / MS-82: 3 Theory, computation, modelling, data, standards Oral/poster MS: Handling of big data in crystallography, High troughput vs. careful planning: How to get the best data? Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: FAIR, MX data, Gold Standard, Archiving A Gold Standard for the archiving of macromolecular diffraction data Herbert J. Bernstein¹, Andreas Förster², Aaron S. Brewster³, Graeme Winter⁴ ¹Ronin Institute for Independent Scholarship, c/o NSLS II, Brookhaven National Laboratory, Upton, NY, USA; ²DECTRIS Ltd., Täfernweg 1,5405 Baden-Dättwil, CH; ³Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA; ⁴Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UK External Resource: 3:50pm - 4:15pm ID: 1315 / MS-82: 4 All topics Oral/poster MS: Fragment screening - 1 project, 100 datasets, Handling of big data in crystallography, Data-driven discovery in crystallography Special sessions: Online crystallography: Tools, apps and web services Keywords: Auto-Rickshaw, Multiple dataset, AR, SAD, MRSAD Data evaluation on the fly: Auto-Rickshaw at the MX beamlines of the Australian Synchrotron Santosh Panjikar Australian Synchrotron, ANSTO, Clayton, Australia External Resource: 4:15pm - 4:40pm ID: 1582 / MS-82: 5 All topics Invited lecture to session Keywords: Covid-19, Advanced Information Systems, Structure validation Rapid response to biomedical challenges and threats Wladek Minor¹, Mariusz Jaskolski², Alexander Wlodawer³, Zbigniew Dauter³, Joanna Macnar⁴, Dariusz Brzezinski⁵, David Cooper¹, Marcin Kowiel⁷, Miroslaw Gilski², Ivan Shabalin¹, Marek Grabowski¹, Bernhard Rupp⁶ ¹University of Virginia, Charlottesville, United States of America; ²A. Mickiewicz University, Poznan, Poland; ³National Cancer Institute, United States of America; ⁴University of Warsaw, Warsaw, Poland; ⁵Poznan University of Technology, Poznan, Poland; ⁶k.-k Hofkristallamt, United States of America; ⁷Polish Academy of Sciences, Poland External Resource: 4:40pm - 5:05pm ID: 1044 / MS-82: 6 Theory, computation, modelling, data, standards Oral/poster MS: Handling of big data in crystallography Keywords: x-ray scattering, data transfer, computation Development of an on-the-fly data processing with information-lossless compression for CITIUS detectors at SPring-8 Toshiyuki Nishiyama Hiraki¹, Toshinori Abe^1,2, Mitsuhiro Yamaga^1,2, Takashi Sugimoto^1,2, Kyosuke Ozaki¹, Yoshiaki Honjo¹, Yasumasa Joti^1,2, Takaki Hatsui¹ ¹RIKEN SPring-8 Center, Hyogo, Japan; ²Japan Synchrotron Radiation Research Institute, Hyogo, Japan External Resource:
2:45pm - 5:10pm	MS-83: High pressure crystallography Location: Terrace 2A Session Chair: Lars Ehm Session Chair: Jon Henry Eggert Session Chair: Vitali Prakapenka Session Chair: Przemyslaw Dera Merged sessions Invited: June Wicks (USA), Rachel Husband (Germany) Introduction
	2:45pm - 2:50pm ID: 1814 / MS-83: 1 Introduction Oral/poster Introduction to session Lars Ehm, Jon Henry Eggert, Vitali Prakapenka, Przemyslaw Dera 2:50pm - 3:20pm ID: 1683 / MS-83: 2 All topics Invited lecture to session MS: High pressure crystallography, Texture, strain and structure in metals and ceramics Keywords: high pressure, crystallography of materials Experimental measures of the orientation dependence of the B1-B2 transformation in shock-compressed MgO June Ki Wicks Johns Hopkins University, Baltimore, United States of America External Resource: 3:20pm - 3:50pm ID: 1370 / MS-83: 3 Physics and fundamental crystallography Invited lecture to session MS: High pressure crystallography Keywords: Dynamic compression, diamond anvil cell, X-ray imaging Simultaneous imaging and diffraction of phase transitions at intermediate compression rates Rachel J. Husband¹, Zsolt Jenei², Johannes Hagemann¹, Earl F. O'Bannon², William J. Evans², Andreas Schropp¹, Konstantin Glazyrin¹, Hanns-Peter Liermann¹ ¹DESY, Notkestrasse 85, 2260 Hamburg, Germany; ²Lawrence Livermore National Laboratory, 7000 East Avenue, L-041 Livermore, CA 94550, USA External Resource: 3:50pm - 4:10pm ID: 1119 / MS-83: 4 Physics and fundamental crystallography Oral/poster MS: High pressure crystallography Keywords: High, Pressure, Ice, Planetary, Interiors Phase Changes in Dynamically Compressed Water Michael G Stevenson¹, Lisa M V Zinta¹, Benjamin Heuser¹, Zhiyu He¹, Divyanshu Rajan¹, Mandy Bethkenhagen¹, Martin French¹, Armin Bergermann¹, Ronald Redmer¹, Thomas Cowan², Oliver Humphries², Julian Lütgert², Katja Voigt², Anja Schuster², Tommaso Vinci³, Emma E McBride⁴, Nicholas J Hartley⁴, Arianna Gleason- Holbrook⁴, Siegfried Glenzer⁴, Silvia Pandolfi⁴, Adrien Descamps⁴, Benjamin Ofori-Okai⁴, Christopher Schoenwaelder⁴, Griffin Glenn⁴, Luke B Fletcher⁴, Bob Nagler⁴, Hae Ja Lee⁴, Eric Galtier⁴, Dimitri Khaghani⁴, Jean-Alexis Hernandez⁵, Alessandra Ravasio³, Dominik Kraus^1,2 ¹University of Rostock, Rostock, Germany; ²Helmholtz-Zentrum Dresden-Rossendorf, Dresden, Germany; ³Laboratoire LULI, Ecole Polytechnique, Palaiseau, France; ⁴SLAC National Accelerator Laboratory, Menlo Park, USA; ⁵University of Oslo, Oslo, Norwa External Resource: 4:10pm - 4:30pm ID: 990 / MS-83: 5 Physics and fundamental crystallography Oral/poster MS: High pressure crystallography Keywords: Dynamic-compression, Ultrafast-diffraction, high-pressure, high-temperature Investigations of the high-pressure, high-temperature behaviour of Au using laser-driven dynamic compression Amy Coleman, Raymond Smith, Tom Lockard, Damian Swift, James McNaney Lawrence Livermore National Laboratory, Livermore, United States of America External Resource: 4:30pm - 4:50pm ID: 395 / MS-83: 6 Bursary application Oral/poster MS: High pressure crystallography Keywords: non-hydrostatic stress; x-ray diffraction; host-inclusion system; structure Mineral inclusions as models to characterize deviatoric stress in single crystals Marta Morana¹, Ross J. Angel², Alice Girani¹, Mara Murri¹, Frederico Alabarse³, Matteo Alvaro¹ ¹University of Pavia, Pavia, Italy; ²Istituto di Geoscienze e Georisorse, Padua, Italy; ³Elettra Sincrotrone, Basovizza, Trieste, Italy Bibliography Luca Bindi Marta Morana "Twinning, Superstructure and Chemical Ordering in Spryite, Ag8(As3+0.50As5+0.50)S6, at Ultra-Low Temperature: An X-Ray Single-Crystal Study" Minerals 11, no. 3 (2021) 286. Ambra Pisanu, Mauro Coduri, Marta Morana, Yasemin O. Ciftci, Aurora Rizzo, Andrea Listorti, Mattia Gaboardi, Luca Bindi, Valentine I. E. Queloz, Chiara Milanese,Giulia Grancini, and Lorenzo Malavasi. “Exploring the role of halide mixing in lead-free BZA2SnX4 two dimensional hybrid perovskites”. In: Journal of Materials Chemistry A8.4 (2020), pp. 1875–1886. Marta Morana, Boriana Mihailova, Ross J. Angel, and Matteo Alvaro. “Quartz metastability at high pressure: what new can we learn from polarized Raman spec- troscopy?” In: Physics and Chemistry of Minerals 47.8 (2020), p. 34. Matteo Alvaro, Mattia L. Mazzucchelli, Ross J. Angel, Mara Murri, Nicola Campomenosi, Marco Scambelluri, Fabrizio Nestola, Andrey V. Korsakov, Anatoly A. Tomilenko, Federica Marone, and Marta Morana. “Fossil subduction recorded by quartz from the coesite stability field”. In: Geology 48.1 (2020), pp. 24–28. Fabrizio Nestola, Cyrena A. Goodrich, Marta Morana, Anna Barbaro, Ryan S. Jakubek, Oliver Christ, Frank E. Brenker, M. Chiara Domeneghetti, M. Chiara Dalconi, Matteo Alvaro, Anna M. Fioretti, Konstantin D. Litasov, Marc D. Fries, Matteo Leoni, Nicola P. M. Casati, Peter Jenniskens, and Muawia H. Shaddad. “Impact shock origin of diamonds in ureilite meteorites”. In: Proceedings of the National Academy of Sciences 117.41 (2020), pp. 25310–25318. Marta Morana and Luca Bindi. “(Cu1−xAgx)2Te (x ≈ 0.4)), a New Telluride from the Good Hope Mine, Vulcan, Colorado (U.S.A.” In: Minerals 9.3 (2019), p. 194. Mario Santoro, Kamil Dziubek, Demetrio Scelta, Marta Morana, Federico A. Gorelli, Roberto Bini, Michael Hanfland, Jérôme Rouquette, Francesco di Renzo, and Julien Haines. “Dense, Subnano Phase of Clustered O2”. In: The Journal of Physical Chemistry C 123.14 (2019), pp. 9651–9657. Marco Piazzi, Marta Morana, Marco Coïsson, Federica Marone, Marcello Campione, Luca Bindi, Adrian P. Jones, Enzo Ferrara, and Matteo Alvaro. “Multi-analytical characterization of Fe-rich magnetic inclusions in diamonds”. In: Diamond and RelatedMaterials 98 (2019), p. 107489. Luca Bindi, Frank N Keutsch, Marta Morana, and Federica Zaccarini. “Spryite, Ag8(As3+0.5As5+0.5)S6: structure determination and inferred absence of superionic conduction of the first As3+-bearing argyrodite”. In: Physics and Chemistry of Minerals 44.1 (2017), pp. 75–82. External Resource: 4:50pm - 5:10pm ID: 187 / MS-83: 7 All topics Oral/poster MS: Phase transitions in complex materials (structure and magnetism), Crystallography using large volume presses and diamond anvil cells, High pressure crystallography Keywords: transition metal oxychloride; high pressure; phase transition; magnetic order; High-pressure low-temperature phase transitions and structural development in quasi-two-dimensional transition metal oxychlorides Achim Mathias Schaller¹, Maxim Bykov^2,3, Elena Bykova², Konstantin Glazyrin⁴, Sander van Smaalen¹ ¹University of Bayreuth, Laboratory of Crystallography, Bayreuth, Germany; ²Carnegie Institution of Washington, Geophysical Laboratory, Washington DC, USA; ³Howard University, Washington DC, USA; ⁴Photon Sciences, Deutsches Elektronen-Synchrotron (DESY), Hamburg, Germany External Resource:
2:45pm - 5:10pm	MS-85: Science meets art: Crystallography and cultural heritage Location: Club H Session Chair: Alicja Rafalska-Lasocha Session Chair: Petr Bezdicka Invited: Koen Janssens (Belgium), Sebastian Bette (Germany) Introduction
	2:45pm - 2:50pm ID: 1815 / MS-85: 1 Introduction Oral/poster Introduction to session Alicja Rafalska-Lasocha, Petr Bezdička 2:50pm - 3:20pm ID: 1423 / MS-85: 2 General interest Invited lecture to session MS: Science meets art: Crystallography and cultural heritage Keywords: X-ray powder diffraction, natural ultramarine, accessory minerals, paintings, pigments Fingerprinting Natural Ultramarine in 15^th-17^th century Netherlandish paintings Koen Henri JANSSENS^1,4, Steven De Meyer¹, Stijn Legrand¹, Frederik Vanmeert^1,2, Veronique Buecken³, Annelies van Loon⁴, Katrien Keune⁴ ¹University of Antwerp, Antwerp, Belgium; ²Royal Institute for Cultural Heritage, Brussels, Belgium; ³Fine Arts Museum, Brussels, Belgium; ⁴Rijksmuseum, Amsterdam, The Netherlands External Resource: 3:20pm - 3:50pm ID: 579 / MS-85: 3 All topics Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Calcium, Carboxalate ligands, Structure elucidation, X-ray diffraction, Helical structures The variety of calcium bearing efflorescence phases - An explanation by crystal chemistry Sebastian Bette^1,2, Gerhard Eggert², Robert E. Dinnebier¹ ¹Max-Planck-Institute for Solid State Research, Stuttgart, Germany; ²State Academy of Art and Design, Stuttgart, Germany External Resource: 3:50pm - 4:10pm ID: 1183 / MS-85: 4 General interest Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: heptagonal symmetry, art, architecture, design Why is heptagonal symmetry so rare in art and architecture? Arie van der Lee Institut Européen des Membranes, Université de Montpellier, ENSCM, CNRS, Montpellier, France External Resource: 4:10pm - 4:30pm ID: 386 / MS-85: 5 All topics Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Keywords: three-shell cluster; single crystal; intermetallic compound; lithium; magnesium Crystallography vs. human masterpiece: Li₂₀Mg₆Cu₁₃Al₄₂, Mg₉Ni₆Ga₁₄ and Mg₃Ni₂Ga structures vs. ivory puzzle balls Grygoriy Dmytriv¹, Nazar Pavlyuk¹, Volodymyr Pavlyuk^1,2, Helmut Ehrenberg³ ¹Ivan Franko National University of Lviv, Lviv, Ukraine; ²Częstochowa Jan Długosz University, Częstochowa, Poland; ³Karlsruhe Institute of Technology, Karlsruhe, Germany External Resource: 4:30pm - 4:50pm ID: 116 / MS-85: 6 General interest Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Crystallographic Image Processing, Information Theory Information theory based symmetry classifications of more or less 2D periodic patterns in Islamic building ornaments and Hans Hinterreiter’s graphic art Peter Moeck Portland State University, PORTLAND, Oregon, USA External Resource: 4:50pm - 5:10pm ID: 1053 / MS-85: 7 All topics Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: X-ray diffraction, X-ray microdiffraction, non-invasive analysis, miniature painting, metal soaps Laboratory X-ray powder diffraction as a useful tool for identification of pigments and degradation products in portrait miniatures painted on ivory Eva Kočí¹, Petr Bezdička¹, Silvia Garrappa¹, David Hradil¹, Janka Hradilová², Michal Pech² ¹Institute of Inorganic chemistry of the Czech Academy of Sciences, ALMA Laboratory, Husinec-Řež 1001, 250 68 Husinec-Řež, Czech Republic; ²Academy of Fine Arts in Prague, ALMA Laboratory, Veletržní 65, 170 00 Praha 7, Czech Republic External Resource:
2:45pm - 5:10pm	MS-86: Modular structure of inorganic and mineral compounds Location: Club D Session Chair: Isabella Pignatelli Session Chair: Berthold Stöger Invited: Olivier Perez (France), Marie Colmont (France) Introduction
	2:45pm - 2:50pm ID: 1816 / MS-86: 1 Introduction Oral/poster Introduction to session Isabella Pignatelli, Berthold Stöger 2:50pm - 3:20pm ID: 1626 / MS-86: 2 Materials and minerals Invited lecture to session MS: Modular structure of inorganic and mineral compounds Keywords: Composite, aperiodicity, non stoichiometry Designing Composite Spin Chain Structures Built up of Dimeric and Trimeric Polyhedral Units: The oxides A_1+y[(Mn_1-xCo_x)_1-z◊_z]O₃ (A=Ca, Sr; x = 3/8). Olivier Perez¹, Vincent Caignaert¹, Bernard Raveau¹, Vincent Hardy Hardy¹, Nahed Sakly¹, MD Motin Seikh² ¹CRISMAT, CNRS-ENSICAEN,6 Bd du Maréchal Juin, 14050 Caen Cedex, France; ²Department of Chemistry, Visva-Bharati University, Santiniketan 731235, West Bengal, India External Resource: 3:20pm - 3:50pm ID: 863 / MS-86: 3 All topics Oral/poster MS: Modular structure of inorganic and mineral compounds Keywords: Diffraction enhancement of symmetry; modular structures; silicon carbide Diffraction enhancement of symmetry and modular structures Akihiro UMAYAHARA^1,2, Bernd Souvignier¹, Massimo Nespolo² ¹Radboud University, Faculty of Science, Mathematics and Computing Science, Institute for Mathematics, Astrophysics and Particle Physics. Postbus 9010, 6500 GL Nijmegen, The Netherlands.; ²Université de Lorraine, Vandoeuvre lès Nancy, France External Resource: 3:50pm - 4:15pm ID: 653 / MS-86: 4 Materials and minerals Oral/poster MS: Modular structure of inorganic and mineral compounds Keywords: Keywords: cronstedtite; polytypism; layer stacking; X-ray diffraction; electron diffraction tomography Polytypism in cronstedtite; how various stacking sequences of layers affect diffraction pattern Jiří Hybler Institute of Physics of the Czech Academy of Sciences, Prague 8, Czech Republic External Resource: 4:15pm - 4:40pm ID: 773 / MS-86: 5 Materials and minerals Oral/poster MS: Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Keywords: beryllium pnictides; disordered structures; synchrotron radiation Binary beryllium pnictides: ordered and disordered coloring variants of the diamond structure Alexander Feige, Marvin Michak, Maxim Grauer, Daniel Günther, Lennart Staab, Christopher Benndorf, Oliver Oeckler Leipzig University, Faculty of Chemistry and Mineralogy, Leipzig, Germany External Resource:
2:45pm - 5:10pm	MS-87: Topological materials Location: Terrace 2B Session Chair: Yugui Yao Session Chair: Wenhui Duan Session Chair: Avadh B. Saxena Invited: Tomasz Dietl (Poland), Xiang Li (China)
	2:45pm - 2:50pm ID: 1817 / MS-87: 1 Introduction Oral/poster Introduction to session Catherine Pappas, Yugui Yao, Wenhui Duan, Avadh B Saxena 2:50pm - 3:20pm ID: 641 / MS-87: 2 Physics and fundamental crystallography Invited lecture to session MS: Topological materials Keywords: crystallographic phase separation, chemical phase separation, spinodal decomposition, nematicity, dilute magnetic semiconductors Phase separations and nematicity of transition metal impurities Tomasz Dietl^1,2 ¹International Research Centre MagTop, Insitute of Physics, Polisha Academy of Sciences, Warsaw, Poland; ²WPI-Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan External Resource: 3:20pm - 3:50pm ID: 604 / MS-87: 3 Physics and fundamental crystallography Invited lecture to session MS: Topological materials Keywords: high pressure, black phosphorus, phase transition, topological property Pressure-induced phase transitions and superconductivity in a black phosphorus single crystal Xiang Li Beijing Institute of Technology, Beijing, China, People's Republic of External Resource: 3:50pm - 4:10pm ID: 1122 / MS-87: 4 Physics and fundamental crystallography Oral/poster MS: Topological materials Keywords: Skyrmion, topological defects, non-collinear magnetism Unconventional states and topological defects in Fe-langasite Maxim V. Mostovoy, Evgenii O. Barts Zernike Institute for Advanced Materials, University of Groningen, The Netherlands External Resource: 4:10pm - 4:30pm ID: 693 / MS-87: 5 Bursary application Oral/poster MS: Topological materials Keywords: topological semimetals, quasiparticles, magnetic structures, YbMnSb2 Magnetic excitations and structure of the topological semimetal YbMnSb₂ Siobhan Maeve Tobin¹, Jian-Rui Soh², Hao Su³, Bachir Ouladdiaf⁴, Andrea Piovano⁴, Yang-Feng Guo³, Dharmalingam Prabhakaran¹, Andrew Timothy Boothroyd¹ ¹University of Oxford, Oxford, United Kingdom; ²Institute of Physics, École Polytechnique Fédéral de Lausanne, Switzerland; ³School of Physical Science and Technology, ShanghaiTech University, China; ⁴Institut Laue Langevin (ILL), France Bibliography [1] Wang, Y.-Y., Xu, S., Sun, L.-L., and Xia, T.-L. Physical Review Materials 2(2), 021201 February (2018). [2] Liu, J., Hu, J., Cao, H., Zhu, Y., Chuang, A., Graf, D., Adams, D. J., Radmanesh, S. M. A., Spinu, L., Chiorescu, I., and Mao, Z. Scientific Reports 6(1), 2016 [3] He, J. B., Fu, Y., Zhao, L. X., Liang, H., Chen, D., Leng, Y. M., Wang, X. M., Li, J., Zhang, S., Xue, M. Q., Li, C. H., Zhang, P., Ren, Z. A., and Chen, G. F. Physical Review B 95(4), 045128 January (2017). [4] Kealhofer, R., Jang, S., Griffin, S. M., John, C., Benavides, K. A., Doyle, S., Helm, T., Moll, P. J. W., Neaton, J. B., Chan, J. Y., Denlinger, J. D., and Analytis, J. G. Physical Review B 97(4), 045109 January (2018). [5] Qiu, Z., Le, C., Liao, Z., Xu, B., Yang, R., Hu, J., Dai, Y., and Qiu, X. Physical Review B 100(12), 125136 September (2019). [6] Soh, J.-R., Jacobsen, H., Ouladdiaf, B., Ivanov, A., Piovano, A., Tejsner, T., Feng, Z., Wang, H., Su, H., Guo, Y., Shi, Y., and Boothroyd, A. T. Physical Review B 100(14), 144431 October (2019). External Resource: 4:30pm - 4:50pm ID: 1849 / MS-87: 6 All topics Oral/poster MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality, Topological materials Keywords: Single crystals, Occupancy, Magnetism, Magnetic Topological Insulator Occupancy disorder and magnetism in tetradymite based topological insulators Laura Christina Folkers^1,2,3, Anna Isaeva^3,4 ¹Technical University Dresden, Dresden, Germany; ²Institute for Solid State and Materials Physics, TU Dresden, Germany; ³Leibniz Institute for Solid State and Materials Research, Dresden, Germany; ⁴University of Amsterdam, Amsterdam, The Netherlands External Resource: 4:50pm - 5:10pm ID: 1847 / MS-87: 7 All topics Oral/poster MS: Topological materials Keywords: eudialyte group; mixed frameworks, ion migration; topology; isomorphism; zirconosilicates Topological analysis of local heteropolyhedral substitutions in the eudialyte-related structures Sergey Aksenov^1,2, Natalia Kabanova^1,3, Nikita Chukanov^4,5, Vladislav Blatov³, Sergey Krivovichev^6,7 ¹Laboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; ²Geological Institute, Kola Science Centre, Russian Academy of Sciences, Apatity, Russian Federation; ³Samara Center for Theoretical Materials Science, Samara State Technical University, Samara, Russian Federation; ⁴Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Russian Federation; ⁵Faculty of Geology, Moscow State University, Vorobievy Gory, Moscow, Russian Federation; ⁶Nanomaterials Research Centre, Kola Science Center, Russian Academy of Sciences, Apatity, Russian Federation; ⁷Department of Crystallography, Institute of Earth Sciences, St Petersburg State University, St Petersburg, Russian Federation External Resource:
2:45pm - 5:10pm	MS-88: Quantum crystallography research Location: Club B Session Chair: Yu-Sheng Chen Session Chair: Katarzyna N. Jarzembska Invited: Sophie E. Canton (Hungary), Simon Grabowsky (Switzerland) Introduction
	2:45pm - 2:50pm ID: 1818 / MS-88: 1 Introduction Oral/poster Introduction to session Yu-Sheng Chen, Katarzyna N. Jarzembska 2:50pm - 3:20pm ID: 790 / MS-88: 2 Physics and fundamental crystallography Invited lecture to session MS: Quantum crystallography research Keywords: synchrotron X-ray diffraction, experimental charge density, quantum crystallography, environmental effects, drug molecules Synchrotron experiments revealing the similarities and differences between crystal and enzyme environmental effects on the electron densities of protease inhibitors and ibuprofen derivatives Simon Grabowsky University of Bern, Bern, Switzerland External Resource: 3:20pm - 3:50pm ID: 1565 / MS-88: 3 Physics and fundamental crystallography Invited lecture to session MS: Quantum crystallography in materials science, Quantum crystallography research Keywords: time-resolved XAS and WAXS, large scale facilities Visualizing the multiscale structural dynamics of photoexcited molecular complexes with ultrafast hard X-rays Sophie Canton European XFEL, Schenefeld, Germany External Resource: 3:50pm - 4:10pm ID: 549 / MS-88: 4 Bursary application Poster MS: Quantum crystallography research, Solid state reactions and dynamics Posters only: Solid state photochemistry - reactions, luminescence, optical property, etc Keywords: photocrystallography, spectroscopy, coinage-metal complexes, time-resolved studies Ultrafast photocrystallographic and spectroscopic studies of selected coinage-metal coordination compounds Piotr Łaski¹, Jakub Drapała², Radosław Kamiński¹, Krzysztof Durka², Katarzyna Natalia Jarzembska¹ ¹University of Warsaw, Warsaw, Poland; ²Warsaw Institute of Technology, Poland Bibliography Szarejko, D., Kaminski, R., Laski, P. & Jarzembska, K. N. Seed-skewness algorithm for X-ray diffraction signal detection in time-resolved synchrotron Laue photocrystallography (2020). J. Synchrotron Rad. 27, 405-413 External Resource: 4:10pm - 4:30pm ID: 1248 / MS-88: 5 All topics Oral/poster MS: Quantum crystallography research, Quantum crystallographic studies on intra/inter-molecular interactions Keywords: non-innocent ligand; coordination compound, nickel, quantum crystallography Electronic structure of (MePh₃P)₂[Ni^II(bdtCl₂)₂] . (CH₃)₂SO and (MePh₃P)[Ni^III(bdtCl₂)₂], (bdtCl₂ - 3,6-dichlorobenzene-1,2-dithiolate) Jozef Kozisek STU Bratislava, Bratislava, Slovak Republic External Resource: 4:30pm - 4:50pm ID: 935 / MS-88: 6 Physics and fundamental crystallography Oral/poster MS: Quantum crystallography in materials science, Quantum crystallography research Keywords: carbonyl interaction, quantum crystallography, NCI index, interaction energy, natural orbitals Unusual carbonyl interactions in co-crystals of urea and dicarboxylic acids Anna Malgorzata Krawczuk¹, Mariusz Mitoraj² ¹University of Göttingen, Göttingen, Germany; ²Jagiellonian University in Krakow, Krakow, Poland External Resource: 4:50pm - 5:10pm ID: 960 / MS-88: 7 All topics Oral/poster MS: Quantum crystallography research Keywords: HAR, GAR Testing various variants of Hirshfeld atom like refinement. Michał Chodkiewicz, Magdalena Woińska, Sylwia Pawlędzio, Leonid Patrikeev, Krzysztof Woźniak University of Warsaw, Warszawa, Poland External Resource:
2:55pm - 5:55pm	SF-6: Software Fayre 6 Location: 221-2 Session Chair: Martin Lutz Session Chair: Claudia Millán http://www.cryst.chem.uu.nl/lutz/
	2:55pm - 3:40pm ID: 1911 / SF-6: 1 Software Fayre Oral/poster AUSPEX: Finding pathologies in macromolecular X-ray data Yunyun Gao University Hamburg, Hamburg, Germany External Resource: 3:40pm - 4:25pm ID: 1912 / SF-6: 2 Software Fayre Oral/poster winPSSP: solving organic materials from powder diffraction SILVINA PAGOLA Old Dominion University, Williamsburg, United States of America External Resource: 4:25pm - 5:10pm ID: 1913 / SF-6: 3 Software Fayre Oral/poster Eval15: Intensity integration of area detector images Martin Lutz Utrecht University, Utrecht, Netherlands, The External Resource: 5:10pm - 5:55pm ID: 1914 / SF-6: 4 Software Fayre Oral/poster Yell: Diffuse scattering analysis in single crystals Arkadiy Simonov ETH Zurich, Zurich, Switzerland External Resource:
3:55pm - 5:25pm	SMS-5: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving Location: Club C Session Chair: Javier Perez Session Chair: Thomas Weiss Invited: Dina Schneidman (Israel), Thomas Grant (USA) Introduction
	3:55pm - 4:00pm ID: 1840 / SMS-5: 1 Introduction Oral/poster Introduction to session Javier Perez 4:00pm - 4:30pm ID: 1136 / SMS-5: 2 Special Sessions Invited lecture to session Special sessions: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving Keywords: small angle scattering; electron density; data analysis; algorithms; data validation and archival Representing low-resolution electron density maps from solution scattering data Thomas Grant University at Buffalo, Buffalo, United States of America External Resource: 4:30pm - 5:00pm ID: 1049 / SMS-5: 3 Special Sessions Invited lecture to session Special sessions: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving Keywords: protein dynamics, multi-state modeling Integrative modeling of structure and dynamics of macromolecules based on SAXS profiles and cross-linking mass spectrometry Dina Schneidman The Hebrew University of Jerusalem, Jerusalem, Israel
5:10pm - 6:10pm	Afternoon break 6: Poster session C2, coffee/tea Location: Exhibition and poster area
5:10pm - 6:10pm	Poster - 41 Receptors: Structural biology of receptors, membrane proteins Session Chair: SUSAN KAY BUCHANAN Session Chair: Michael Parker
	ID: 1968 / Poster - 41 Receptors: 1 Poster session abstracts Poster Poster session abstracts Radomír Kužel ID: 709 / Poster - 41 Receptors: 2 Bursary application Oral/poster MS: Structural biology of receptors, signaling and membrane proteins Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: RTKs; crystal structure; secondary structural changes; mutations; cancer; change in intramolecular interactions Structural anomalies in the Eph receptor due to clinically relevant mutations and the subsequent effect on kinase domain Shubhashish Chakraborty^1,2, Ashok Kumar Varma^1,2 ¹Advanced centre for Treatment, Research and Education in cancer, Kharghar, Navi Mumbai, Maharashtra – 410210,INDIA; ²Homi Bhabha National Institute, Training School Complex, Anushaktinagar, Mumbai, Maharashtra – 400094 ,INDIA. Bibliography Comparative structural analysis of clinically relevant cancer mutations reported in EphA7 receptor tyrosine kinase. Manuscript in process. External Resource: ID: 998 / Poster - 41 Receptors: 3 Biological and macromolecular crystallography Poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: NK cell; NKp30; B7-H6; glycosylation; oligomerization Influence of glycosylation on the structure of human natural killer cell receptor NKp30 in complex with its tumor ligand B7-H6 Tereza Skalova¹, Ondřej Skořepa², Barbora Kalousková², Jan Bláha², Celeste Abreu², Jan Dohnálek¹, Ondrej Vaněk² ¹Institute of Biotechnology CAS, v.v.i., Vestec, Czech Republic; ²Department of Biochemistry, Faculty of Science, Charles University Prague, Hlavova 8, 128 40 Praha, Czech Republic External Resource: ID: 1467 / Poster - 41 Receptors: 4 Biological and macromolecular crystallography Poster MS: Structural bioinformatics, Structural biology of eukaryotic immune systems, Structural biology of receptors, signaling and membrane proteins Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: TCR repertoire, cholesterol-dependent cytolysins, T cell epitopes, pneumolysin CD4⁺ T cell recognition of pneumolysin, a pore-forming cytolysin derived from Streptococcus pneumoniae presented by a common HLA allotype Lisa Ciacchi¹, Martijn D. B. van de Garde², Jan Petersen¹, Carine Farenc¹, Martien C. M. Poelen², Hugh H. Reid¹, Kristin Ladell³, David A. Price³, Cecile A. C. M. van Els², Jamie Rossjohn¹ ¹Monash Biomedicine Discovery Institute, Monash University, Clayton, Australia; ²Centre for Infectious Disease Control, National Institute for Public Health and the Environment, Bilthoven, The Netherlands; ³Cardiff University School of Medicine, Cardiff, United Kingdom External Resource: ID: 1627 / Poster - 41 Receptors: 5 Biological and macromolecular crystallography Poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: CD160/BY55; HVEM/TNFRSF14; immune receptor; immunological synapse; receptor-ligand interaction Molecular characterization of the native (non-linked) CD160-HVEM protein complex revealed by initial crystallographic analysis Simona Lenhartová¹, Marek Nemčovič², Radka Šebová¹, Mário Benko¹, Dirk Zajonc^3,4, Ivana Nemčovičová¹ ¹Biomedical Research Center, Slovak Academy of Sciences, Bratislava, Slovak Republic; ²Institute of Chemistry, Slovak Academy of Sciences, Bratislava, Slovakia; ³Division of Immune Regulation, La Jolla Institute for Immunology, La Jolla, CA, USA; ⁴Cancer Immunology Discovery, Pfizer Inc., San Diego, CA, USA External Resource: ID: 1534 / Poster - 41 Receptors: 6 Biological and macromolecular crystallography Oral/poster MS: Structural biology of receptors, signaling and membrane proteins, Structure guided drug design and antibiotic resistance targets Keywords: X-ray, Cryo-EM, drug design, membrane proteins Structure-based drug discovery enabled for membrane protein targets Michael Hennig leadXpro AG, Villigen, Switzerland External Resource: ID: 1453 / Poster - 41 Receptors: 7 Biological and macromolecular crystallography Poster MS: Structural biology of receptors, signaling and membrane proteins, Protein design and engineering Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: antibody labeling, epitope insertion, antibody-assisted structural analysis, electron microscopy, protein crystallography Optimization of the NZ-1 labeling technique for the application to 3D structure analysis Rie Aruga¹, Risako Tamura-Sakaguchi¹, Mika Hirose², Toru Ekimoto¹, Rika Oi¹, Mika K. Kaneko³, Yukinari Kato^3,4, Mitsunori Ikeguchi^1,5, Kenji Iwasaki⁶, Terukazu Nogi¹ ¹Graduated School of Medical Life Science, Yokohama-city University, Japan; ²Institute for Protein Research, Osaka University, Japan; ³Department of Antibody Drug Development, Tohoku University Graduate School of Medicine, Japan; ⁴New Industry Creation Hatchery Center, Tohoku University, Japan; ⁵Center for Computational Science, RIKEN, Japan; ⁶Life Science Center for Survival Dynamics, Tsukuba Advanced Research Alliance (TARA), University of Tsukuba, Japan External Resource: ID: 1633 / Poster - 41 Receptors: 8 Biological and macromolecular crystallography Oral/poster MS: Structural bioinformatics, CryoEM for macromolecules - from single particles to microcrystals, Structural biology of receptors, signaling and membrane proteins, Macromolecular machines and hybrid methods to crystallography, Structural bioinformatics Posters only: Hot structures of biological importance Keywords: cryoEM, bacterial toxins, phylogenetics, membrane proteins, pore-forming proteins Structure, function and evolution of the orally active insecticidal toxin complex, YenTc Sarah Piper^1,2, Lou Brillault^1,2, Joseph Box¹, Yu Shang Low¹, Irene Chassagnon¹, Gabriel Foley¹, Nadezhda Aleksandrova¹, Lauren Hartley-Tassell⁴, Cassandra Pegg¹, Ben Schulz¹, Thomas Ve⁴, Shaun Lott³, Mark Hurst⁵, Michael Landsberg^1,2 ¹School of Chemistry and Molecular Bioscience, The University of Queensland, St Lucia, Australia; ²Institute for Molecular Bioscience, The University of Queensland; ³School of Biological Sciences, The University of Auckland; ⁴Institute for Glycomics; ⁵AgResearch NZ ID: 1729 / Poster - 41 Receptors: 9 All topics Poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: TLR signalling pathway Understanding the structural basis of TIR-domain assembly formation in TRAM- and TRIF- dependent TLR signalling Mengqi Pan, Andrew Hedger, Jeff Nanson, Bostjan Kobe the University of Queensland, St Lucia, Australia External Resource: ID: 1920 / Poster - 41 Receptors: 10 Poster sessions Poster Posters only: Structural biology of receptors, membrane proteins Keywords: Toll-like receptors, Negative-stain EM, TLR signaling Structural basis of higher-order assembly formation in Toll-like receptors 1,2 and 6 signaling pathway YAN LI The University of Queensland, St Lucia, Australia
5:10pm - 6:10pm	Poster - 42 Enzymes: Structural biology of enzymes Session Chair: Mirjam Czjzek
	ID: 1969 / Poster - 42 Enzymes: 1 Poster session abstracts Poster Poster session abstracts Radomír Kužel ID: 250 / Poster - 42 Enzymes: 2 Bursary application Oral/poster MS: Structural biology of eukaryotic immune systems, Structural biology of enzymes, mechanism and regulation Keywords: Mitochondria, Complex IV assembly, assembly factors, Structure, X-ray crystallography Structural characterisation of mitochondrial complex IV assembly factors Shadi Magool¹, Luke Formosa², Dinesha Cooray³, David Stroud⁴, David Aragão⁵, Michael Ryan², Megan Maher¹ ¹School of Chemistry and The Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Parkville, Australia; ²Department of Biochemistry and Molecular Biology, Biomedicine Discovery Institute, Monash University, Clayton 3800, Australia; ³Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne 3086, Australia; ⁴Department of Biochemistry and Molecular Biology and The Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Parkville, Victoria 3010, Australia; ⁵Diamond Light Source, Harwell Science and Innovation Campus, Didcot, UK Bibliography 1. Maghool, S.#, La Fontaine, S., & Maher, M. J. (2019). High-resolution crystal structure of the reduced Grx1 from Saccharomyces cerevisiae. Acta crystallographica. Section F, Structural biology communications, 75(Pt 5), 392–396. doi:10.1107/S2053230X19003327. #corresponding author 2. Maghool, S., Cooray, N., Stroud, D. A., Aragão, D., Ryan, M. T., & Maher, M. J. (2019). Structural and functional characterization of the mitochondrial complex IV assembly factor Coa6. Life science alliance, 2(5), e201900458. doi:10.26508/lsa.2019004583. 3. Maghool, S., La Fontaine, S., Roberts, B. R., Kwan, A. H., & Maher, M. J. (2020). Human glutaredoxin-1 can transfer copper to isolated metal binding domains of the P1B-type ATPase, ATP7B. Scientific Reports. Accepted. 4. Formosa, L., Maghool S., Sharpe, A. J., Reljic, B,. Muellner-Wong, L., Stroud, D. A., Maher, M. J., & Ryan, M. T. Structural and functional characterization of the mitochondrial complex IV assembly factor Coa7. * equal 1st author (manuscript in preparation). External Resource: ID: 283 / Poster - 42 Enzymes: 3 Bursary application Poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: Allostery, Regulation, Kinases, Metabolites, Small Compounds Chemical biology and structural studies on the mechanism of regulation of phosphoinositide-dependent protein kinase 1 (PDK1) Lissy Z. F. Gross¹, Mariana Sacerdoti¹, Alejandro E. Leroux¹, Abhijeet Ghode⁴, Ganesh S. Anand⁴, Jörg O. Schulze², Melissa A. Graewert⁵, Dmitri I. Svergun⁵, Sebastian Klinke³, Ricardo M. Biondi^1,2 ¹IBioBA - CONICET - Partner Institute of the Max Planck Society, Buenos Aires, Argentine Republic; ²Department of Internal Medicine I, Universitätsklinikum Frankfurt, Germany; ³Leloir Institute - CONICET, Buenos Aires, Argentine Republic; ⁴Department of Biological Sciences, National University of Singapore, Singapore; ⁵European Molecular Biology Laboratory (EMBL), DESY Hamburg, Germany Bibliography Leroux AE, Gross LZF, Sacerdoti M & Biondi RM (2019); "Allosteric Regulation of Protein Kinases Downstream of PI3-Kinase Signalling", Book Chapter 12 from Adv Exp Med Biol, Vol. 1163, Jian Zhang and Ruth Nussinov (Editors), Protein Allostery in Drug Discovery, ISBN 978-981-13-8718-0; Gross LZF, Sacerdoti M, Piiper A, Zeuzem S, Leroux AE and Biondi RM. (2020), "ACE2, the Receptor that Enables the Infection by SARS‐CoV‐2: Biochemistry, Structure, Allostery and Evaluation of the Potential Development of ACE2 Modulators." ChemMedChem. Accepted Author Manuscript. doi:10.1002/cmdc.202000368; Ghode A, Gross LZF, Tee WV, Guarnera E, Berezovsky IN, Biondi RM and Anand GS. (2020). "Quantitating synergistic allostery in protein-ligand interactions." Biophys J. Accepted Author Manuscript. https://doi.org/10.1016/j.bpj.2020.09.019 External Resource: ID: 890 / Poster - 42 Enzymes: 4 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation, Macromolecular machines and hybrid methods to crystallography Posters only: Hot structures of biological importance, Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: Bacterial oxidoreductases, disulfide bond, copper resistance Structure of the Caulobacter Crescentus suppressor of copper sensitivity protein C Guillaume A. Petit¹, Karrera Y. Djoko², Jennifer L. Martin^1,3, Maria A. Halili¹ ¹Griffith Institute for Drug Discovery, Griffith University, Nathan, QLD, Australia; ²Department of Biosciences, Durham University, UK; ³Vice-Chancellor’s Unit, University of Wollongong, NSW, Australia External Resource: ID: 121 / Poster - 42 Enzymes: 5 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Keywords: amidohydrolases, leukemia, Rhizobium etli, posttranslational modification The structural panorama of L-asparaginases includes an alien from nitrogen-fixing bacteria Mariusz Jaskolski¹, Joanna Loch², Mirek Gilski¹, Barbara Imiolczyk³ ¹Faculty of Chemistry, A.Mickiewicz University, Poznan, Poland, Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; ²Faculty of Chemistry, Jagiellonian University, Cracow, Poland; ³Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland External Resource: ID: 905 / Poster - 42 Enzymes: 6 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Keywords: Cytidine Deaminase Mechanism, Metalloprotein Regulation. Plant RNA Editing Structures of a DYW domain shed first light on a unique plant RNA editing regulation principle Mizuki Takenaka¹, Sachi Takenaka¹, Tatjana Barthel², Brody Frink¹, Sascha Haag³, Daniil Verbitskiy³, Bastian Oldenkott⁴, Mareike Schallenberg-Rüdinger⁴, Christian Feiler², Manfred S. Weiss², Gottfried J. Palm⁵, Gert Weber² ¹Department of Botany, Graduate School of Science, Kyoto University, Kyoto, Japan; ²Helmholtz-Zentrum-Berlin (HZB), Berlin, Germany; ³Molekulare Botanik, Universität Ulm, Germany; ⁴IZMB – Institut für Zelluläre und Molekulare Botanik, Abt. Molekulare Evolution, University of Bonn, Bonn, Germany; ⁵University of Greifswald, Molecular Structural Biology, Greifswald, Germany External Resource: ID: 987 / Poster - 42 Enzymes: 7 Biological and macromolecular crystallography Oral/poster MS: Structural bioinformatics, Automation in bio-crystallography: tools, perspectives and applications, Integrative structural biology: The next 50 years of the Protein Data Bank, Structural biology of enzymes, mechanism and regulation Keywords: myeloperoxidase; glycosylation; crystal structure, N-glycans Seeing is believing: glycosylation in the crystal structure of human myeloperoxidase Lucas Krawczyk¹, Shubham Semwal¹, Goedele Roos¹, Pierre Van Antwerpen², Julie Maria Jozefa Bouckaert¹ ¹Centre National de REcherche Scientifique, Villeneuve d'Ascq, France; ²Laboratory of Pharmaceutical Chemistry and Analytical Platform, Faculty of Pharmacy, Université libre de Bruxelles, CP205/05, Boulevard du Triomphe, 1050 Brussels, Belgium External Resource: ID: 982 / Poster - 42 Enzymes: 8 Biological and macromolecular crystallography Poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: SAXS, chemical crosslinking, crystallography, 14-3-3, Nedd4-2 14-3-3 protein dependent modulation of ubiquitin ligase Nedd4-2 Pavel Pohl^1,2, Tomáš Obšil^1,3, Veronika Obšilová¹ ¹Intitute of physiology, CAS, Vestec, Czech Republic; ²Second Faculty of Medicine, Charles University in Prague, Czech Republic; ³Dept. of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, Czech Republic External Resource: ID: 798 / Poster - 42 Enzymes: 9 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Keywords: oxidoreductase, bacillithiol, flavoprotein, structure, enzymology Bacillithiol disulfide reductase Bdr - insight into a new type of FAD-containing NADPH-dependent oxidoreductases Marta Hammerstad¹, Ingvild Gudim¹, Hans-Petter Hersleth^1,2 ¹University of Oslo, Department of Biosciences, Oslo, Norway; ²University of Oslo, Department of Chemistry, Oslo, Norway External Resource: ID: 661 / Poster - 42 Enzymes: 10 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: beta-elimination, pseudo-toroid, Molecular dynamic simulation, substrate aquisition Exploring Polysaccharide lyases of PL-5 family through the lens of structure, function, and dynamics Prerana Dash^1,2, Rudresh Acharya^1,2 ¹National Institution of science education and research, Bhubaneswar, India; ²Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094, Maharashtra, India External Resource: ID: 1267 / Poster - 42 Enzymes: 11 Biological and macromolecular crystallography Oral/poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of receptors, signaling and membrane proteins, Structural biology of enzymes, mechanism and regulation, Macromolecular machines and hybrid methods to crystallography Keywords: DNA protein interactions, secretion system, bacterial conjugation, NMR structure, horizontal gene transfer Structural and functional characterization of a DNA binding protein of pIP501– a broad-host-range plasmid Tamara Margot Isamel Berger¹, Nina Gubensäk¹, Walter Keller¹, Verena Kohler² ¹University of Graz, Graz, Austria; ²University of Stockholm, Stockholm, Sweden External Resource: ID: 1433 / Poster - 42 Enzymes: 12 Biological and macromolecular crystallography Poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: Cynaobacteria, Enzyme, Glutatione transferase, Glutathione, Methylglyoxal First crystallographic study of a glutathione transferase from cyanobacteria Eva Mocchetti¹, Arnaud Hecker², Benoît Guillot¹, Sandrine Mathiot¹, Franck Chauvat³, Corinne Cassier-Chauvat³, Claude Didierjean¹ ¹CRM2, UL, CNRS, Nancy, France; ²IAM, UL, INRAE, Nancy, France; ³I2BC, UPS, CNRS, CEA, Paris-Saclay, France External Resource: ID: 1344 / Poster - 42 Enzymes: 13 Biological and macromolecular crystallography Poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: : Iron homeostasis; ferritin; Caenorhabditis elegans; X-ray crystallography, Cryo electron microscopy Structural insights into the ferroxidase and iron sequestration mechanisms of ferritin from Caenorhabditis elegans Tess R. Malcolm¹, Sanjeedha Mohamed Mubarak¹, Eric Hanssen², Hamish G. Brown², Gawain McColl³, Megan J. Maher^1,4, Guy N.L. Jameson¹ ¹Bio21 Molecular Science and Biotechnology Institute, Parkville, Australia; ²Ian Holmes Imaging Centre, Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Parkville, Victoria, Australia; ³The Florey Institute of Neuroscience and Mental Health, The University of Melbourne, Parkville, Victoria, Australia; ⁴Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, Australia External Resource: ID: 1446 / Poster - 42 Enzymes: 14 Biological and macromolecular crystallography Poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: electron transfer protein, iron-sulfur cluster, redox potential Precise Redox-dependent Structural Change of the plant-type Ferredoxin revealed by X-ray structures at 0.77 Å resolution, originated and propagating from the [2Fe-2S] cluster Yusuke Ohnishi^1,2, Hideki Tanaka¹, Genji Kurisu¹ ¹Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita city, Osaka 565-0871, Japan; ²School of Pharmaceutical Sciences, Wakayama Medical University, 25-1 Shichibancho, Wakayama city, Wakayama 640-8156, Japan External Resource: ID: 1561 / Poster - 42 Enzymes: 15 Poster sessions Poster Posters only: Structural biology of enzymes Keywords: Sinorhizobium meliloti, carbohydrate esterase, crystal, docking Crystal structure of carbohydrate esterase SmAcE1 from Sinorhizobium meliloti Changsuk Oh¹, Truc Kim¹, T. Doohun Kim², Kyeong Kyu Kim¹ ¹Department of Precision Medicine, Sungkyunkwan University, Suwon, Korea, Republic of Korea; ²Department of Chemistry, College of Natural Science, Sookmyung Women's University, Seoul, 04310, Republic of Korea External Resource: ID: 1609 / Poster - 42 Enzymes: 16 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Keywords: hypusination, deoxyhypusine synthase, rare diseases, translation factor, PTM Half way to hypusine. Structural characterization of human deoxyhypusine synthase. Elżbieta Wątor, Piotr Wilk, Przemysław Grudnik Małopolska Centre of Biotechnology, Jagiellonian University, Krakow, Poland External Resource: ID: 1541 / Poster - 42 Enzymes: 17 Biological and macromolecular crystallography Poster MS: Structural biology of enzymes, mechanism and regulation Keywords: hyoscyamine 6β-hydroxylase, scopolamine biosynthesis, metalloenzymes On substrate binding cavity of hyoscyamine 6β-hydroxylase from devil’s trumpet Anna Kluza¹, Beata Mrugala¹, Katarzyna Kurpiewska^1,2, Przemyslaw J Porebski^1,3, Ewa Niedzialkowska^1,3, Wladek Minor³, Manfred S Weiss⁴, Maksymilian Chruszcz⁵, Tomasz Borowski¹ ¹Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Krakow, Poland; ²Department of Crystal Chemistry and Crystal Physics, Faculty of Chemistry, Jagiellonian University, Krakow, Poland; ³Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA, USA; ⁴Macromolecular Crystallography, Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany; ⁵Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC, USA External Resource: ID: 1524 / Poster - 42 Enzymes: 18 All topics Poster MS: Structural biology of enzymes, mechanism and regulation, Protein design and engineering Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: metalloenzymes, reaction mechanisms, reaction regioselectivity, computation Control of hydroxylation regioselectivity by hyoscyamine 6β-hydroxylase as revealed by crystallographic and QM/MM studies Zuzanna Wojdyla, Anna Kluza, Tomasz Borowski Jerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences, Krakow, Poland External Resource: ID: 1487 / Poster - 42 Enzymes: 19 Biological and macromolecular crystallography Poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: Heme metabolism; Electron transfer; Domain motion; Cofactor binding Domain movements of NADPH–cytochrome P450 oxidoreductase (CPR) are required for the smooth electron transfer from CPR to heme–heme oxygenase-1 (HO-1) complex Masakazu Sugishima¹, Junichi Taira², Mikuru Iijima³, Hideaki Sato¹, Kei Wada⁴, Masato Noguchi¹, Keiichi Fukuyama⁵, Mitsunori Takano³, Hiroshi Sakamoto², Ken Yamamoto¹ ¹Kurume University School of Medicine, Kurume, Japan; ²Kyushu Institute of Technology, Iizuka, Japan; ³Waseda University, Tokyo, Japan; ⁴University of Miyazaki, Miyazaki, Japan; ⁵Osaka University, Toyonaka, Japan External Resource: ID: 1622 / Poster - 42 Enzymes: 20 Biological and macromolecular crystallography Poster MS: Structural biology of enzymes, mechanism and regulation Keywords: ATP-grasp fold, phosphohistidine, magnesium ions, nucleotide Conservation of a glutamate residue in ATP-citrate lyase and succinyl-CoA synthetase Marie Elizabeth Fraser, Ji Huang University of Calgary, Calgary, Canada ID: 1472 / Poster - 42 Enzymes: 21 Biological and macromolecular crystallography Poster MS: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction, Structural biology of enzymes, mechanism and regulation Keywords: enzyme, crystallization, nucleation, microcrystals, X-ray diffraction Monitoring the crystallization of two enzymes in real time by dynamic light-scattering Kévin Rollet^1,2, Raphaël de Wijn¹, Sylvain Engilberge³, Alastair G. McEwen⁴, Oliver Hennig², Heike Betet², Mario Mörl², François Riobé⁵, Olivier Maury⁵, Philippe Bénas¹, Bernard Lorber¹, Claude Sauter¹ ¹Université de Strasbourg, ARN, CNRS UPR9002, IBMC, Strasbourg, France; ²Institute for Biochemistry, Leipzig University, Leipzig, Germany; ³Université Grenoble Alpes, CEA, CNRS, IBS, Grenoble, France; ⁴Université de Strasbourg, IGBMC, CNRS UMR 7104, INSERM U 1258, Illkirch, France; ⁵Université Lyon 1, ENS Lyon, CNRS-UMR 5182, Lyon, France External Resource: ID: 1719 / Poster - 42 Enzymes: 22 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: XFEL, Photosystem II, Water Oxidation Investigating The Structural Dynamics of the Water and Proton Channels Using snap-shots of Photosystem II Mohamed Ibrahim HU-Berlin, Berlin, Germany External Resource:
5:10pm - 6:10pm	Poster - 43 Nucleic acid: Nucleic acids and binding proteins structure and function Session Chair: Charles Bond Session Chair: Stephen Neidle Introduction
	ID: 1970 / Poster - 43 Nucleic acid: 1 Poster session abstracts Poster Poster session abstracts Radomír Kužel ID: 1505 / Poster - 43 Nucleic acid: 2 Biological and macromolecular crystallography Poster MS: Nucleic acids and protein - nuclear acid interactions Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: Protein-protein interaction, Forkhead Box O (FOXO) and p53 transcription factors, Analytical ultracentrifugation, NMR, Chemical cross-linking Biophysical characterization of the interaction between Forkhead Box O4 (FOXO4) and p53 transcription factors Raju Mandal¹, Klara Kohoutova^1,2, Olivia Petrvalska^1,2, Matej Horvath¹, Václav Veverka^3,4, Veronika Obsilova², Tomas Obsil^1,2 ¹Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University, Prague, Czech Republic; ²Department of Structural Biology of Signaling Proteins, Division BIOCEV, Institute of Physiology of the Czech Academy of Sciences, 252 50 Vestec, Czech Republic; ³Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic; ⁴Department of Cell Biology, Faculty of Science, Charles University, Prague, Czech Republic External Resource: ID: 1515 / Poster - 43 Nucleic acid: 3 Biological and macromolecular crystallography Poster MS: Nucleic acids and protein - nuclear acid interactions Posters only: General (if it does not fit to any specific topics nor areas) Keywords: mismatched base pairs, metal ion, nucleic acid Structural basis for the specific binding between metal ion and chemically modified mismatched base pairs Kei Hirabayashi¹, Saki Adachi¹, Akira Ono², Jiro Kondo³, Hidetaka Torigoe¹ ¹Department of Applied Chemistry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, Japan; ²Department of Material & Life Chemistry, Faculty of Engineering, Kanagawa University, Yokohama 221-8686, Japan; ³Department of Materials and Life Sciences, Faculty of Science and Technology, Sophia University, Tokyo 102-8554, Japan External Resource: ID: 1613 / Poster - 43 Nucleic acid: 4 Biological and macromolecular crystallography Poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of enzymes, mechanism and regulation Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: RNA-dependent RNA polymerase, non-structural protein 5, tick-borne encephalitis virus Structural and Functional Studies of TBEV Non-Structural Protein 5 Petra Havlíčková¹, Joel A. Crossley¹, Zdeno Gardian^1,2, Ivana Kutá Smatanová¹, Zdeněk Franta¹ ¹Faculty of Science, University of South Bohemia in České Budějovice, České Budějovice, Czech Republic; ²Institute of Parasitology, Biology Center of the Czech Academy of Sciences, České Budějovice, Czech Republic External Resource: ID: 1502 / Poster - 43 Nucleic acid: 5 Biological and macromolecular crystallography Poster Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: sp-d, lipopolysaccharide, protein, binding Lipopolysaccharide Recognition by human Surfactant Protein D. William Anthony Neale¹, Jens Madsen², Howard Clark², Annette Shrive¹, Trevor Greenhough¹ ¹Keele University, Staffordshire, United Kingdom; ²EGA Institute for Women's Health, University College London, United Kingdom External Resource:
5:10pm - 6:10pm	Poster - 44 Art: Crystallography in art and archaeology Session Chair: Petr Bezdicka Session Chair: David Hradil
	ID: 1971 / Poster - 44 Art: 1 Poster session abstracts Poster Poster session abstracts Radomír Kužel ID: 858 / Poster - 44 Art: 2 Bursary application Poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, Science meets art: Crystallography and cultural heritage Keywords: mercury carboxylates; lead carboxylates; metal soaps; saponification; XRPD; ssNMR; FTIR Characterization of metal carboxylates relevant for degradation of oil paintings by complementary XRPD and ssNMR Ruslan Barannikov^1,2, Silvie Švarcová¹, Eva Kočí¹, Petr Bezdička¹, Libor Kobera³, Jan Rohlíček⁴, Jiří Plocek¹ ¹Institute of Inorganic Chemistry of the Czech Academy of Sciences, ALMA Laboratory, Husinec-Řež 1001, 250 68 Husinec-Řež, Prague, Czech Republic; ²Department of Inorganic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 128 43 Prague 2, Czech Republic; ³Institute of Macromolecular Chemistry of the Czech Academy of Sciences, Heyrovského nám. 2, 162 06 Praha 6, Czech Republic; ⁴Institute of Physics of the Czech Academy of Sciences, Na Slovance 1999/2, 182 21 Praha 8, Czech Republic Bibliography 1. Barannikov, R., Abuliasova L. Quantum-chemical electron-energy characteristics of cyanobiphenyls / Physical and Mathematical Sciences: proceedings of the 83rd Scientific and Technical Conference of Professors and Professors, Research Officers and Postgraduate Students (with international participation), Minsk, 4-15 February 2019/ Belarusian State University of Technology; – Minsk. – BTU, 2019; 57 – 58 https://elib.belstu.by/handle/123456789/28392 2. Abuliasova L., Barannikov, R. Anisotropy of electronic charge density in mesogenic compounds / ХХI Mendeleev Congress on General and Applied Chemistry. – Saint Petersburg 1, 330 / 2019 3. Abuliasova L., Barannikov, R., M.T. Alimbayeva M. Calculation of vibrational frequencies and intensities of IR absorption bands of mesogenic biphenyls. Molecular Engineering and Computational Modelling for Nano- and Biotechnology: From Nanoelectronics to Biopolymers: Intern. MECM Conference dedicated to the 75th anniversary of Prof. Boris F. Minaev. Cherkasy 2018/9 19-21 External Resource: ID: 607 / Poster - 44 Art: 3 General interest Oral/poster MS: Science meets art: Crystallography and cultural heritage Keywords: Wenzel Jamnitzer, perspective and geometry, Luca Pacioli, Leonardo, Johannes Kepler Meaning of Wenzel Jamnitzer’s treatise Perspectiva corporum regularium (Nürnberg, 1568) and its relationship to history of modern science Jan Fábry Institute of Physics of the Czech Academy of Sciences, Praha 8, Czech Republic External Resource:
5:10pm - 6:10pm	Poster - 45 Minerals: Complex structures of minerals and inorganic materials Session Chair: Marie Colmont Session Chair: Sergey V. Krivovichev Session Chair: Milan Rieder
	ID: 1972 / Poster - 45 Minerals: 1 Poster session abstracts Poster Poster session abstracts Radomír Kužel ID: 928 / Poster - 45 Minerals: 2 Materials and minerals Poster MS: Complex structures of minerals and inorganic materials Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: new mineral; devilliersite; synchrotron radiation; The crystal structure of the new mineral devilliersite, Ca₄Ca₂Fe³⁺₁₀O₄[(Fe³⁺₁₀Si₂)O₃₆] Biljana Krüger¹, Hannes Krüger¹, Irina O. Galuskina², Evgeny Galuskin², Yevgeny Vapnik³ ¹University of Innsbruck, Innsbruck, Austria; ²University of Silesia, Sosnowiec, Poland; ³Ben-Gurion University of the Negev, Beer-Sheva, Israel External Resource: ID: 717 / Poster - 45 Minerals: 3 Bursary application Oral/poster MS: Complex structures of minerals and inorganic materials Keywords: clay, chamotte, mullite, refractoriness Formulation of clay refractory bricks: influence of the nature of chamotte and the alumina content in the clay Moustapha SAWADOGO Université Joseph KI ZERBO, Ouagadougou, Burkina Faso Bibliography [1] Jacques Poirier : Les céramiques réfractaires de l’élaboration aux propriétés d’emploi. Verres Céramiques et Composites. Volume 1, 28-42, (2011). https:// reue-vcc.univ-setif.dz [2] Abla Mecif, Julien Soro, Abdelhamid Harabi, Jean Pierre Bonnet : Preparation of Mullite‐ and Zircon‐Based Ceramics Using Kaolinite and Zirconium Oxide: A Sintering Study. Journal of the American Ceramic Society 93 (5), 1306-1312, 2010. https://doi.org/10.1111/j.1551-2916.2009.03595.x [3] Bahia Rabehi : Evaluation des propriétés réfractaires et cimentaires du kaolin de Djebel Debbagh. Thèse de l’université de M’Hamed Bougara-Boumerdes ; (2013). http://dlibrary.univ-boumerdes.dz:8080/handle/123456789/1259 [4] Edwige Yeugo-Fogaing, Marc Huger, Thierry Chotard, Christian Gault : Caractérisation de l'endommagement d'origine thermique de réfractaires de type électrofondu par techniques acoustiques à haute température. Matériaux 2006, Dijon, France. 7 p. https://hal.archives-ouvertes.fr/hal-00144564 [5] G. Aliprandi : Matériaux réfractaires et céramiques techniques. Editions Septima, Paris (1979). External Resource: ID: 484 / Poster - 45 Minerals: 4 Bursary application Poster MS: Complex structures of minerals and inorganic materials, Combination of X-ray and electrons for structure characterization Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Ilmenite; High energy ball milling; Acid; Microstructure; Photocatalytic Structural analysis of ilmenite concentrates treated by acid-assisted high energy ball milling Tania Isabel Garcia-Manzano, José Antonio Henao-Martínez, Diana Marcela Cañas-Martínez, Julio Andres Pedraza-Avella Universidad Industrial de Santander, Bucaramanga, Colombia Bibliography [1] Y.H. Cheb, J. Non-Cryst. Solids 357 (2011) 136. [2] D. Cañas, G. Gauthier, J. Pedraza Photochem. Photobiol. Sci 18 (2019) 912. [3] Q. Wang, J. Lian, Y. Bai, J. Hui, J. Zhong, J. Li, N. An, J. Yu, F. Wang, Mater. Sci. Semicond. Process 40 (2015) 418. [4] K. Hashimoto, H. Irie, A. Fujishima Jpn. J. Appl. Phys. 44 (2005) 8269. [5] P. Parapari, M. Irannajad, A. Mehdilo, Miner. Eng 92 (2016) 160. External Resource: ID: 431 / Poster - 45 Minerals: 5 Bursary application Oral/poster MS: Complex structures of minerals and inorganic materials, Combining X-ray diffraction and spectroscopy to characterise materials Posters only: Structure and phase transitions in advanced materials, Materials and minerals (if it does not fit to any specific topics) Keywords: Keywords: Minerals; Superionic; Phase transitions; Raman analysis; PXRD Investigation of structural phase transitions and superionic property of a Vanthoffite mineral, Na₆Co(SO₄)₄ Ajana Dutta, Diptikanta Swain, T. N. Guru Row Indian Institute of Science, Bangalore, India, Bangalore, India Bibliography Dutta, A., Swain, D., Sunil, J., Narayana, C. and Guru Row, T.N., 2020. Minerals to Functional Materials: Characterization of Structural Phase Transitions and Raman Analysis of a Superionic Phase in Na6Co (SO4) 4. Inorganic Chemistry, 59(12), pp.8424-8431. (https://doi.org/10.1021/acs.inorgchem.0c00849) External Resource: ID: 652 / Poster - 45 Minerals: 6 Bursary application Oral/poster MS: Combining X-ray diffraction and spectroscopy to characterise materials Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Raman spectra, crystal structure, single-crystal XRD, roméite-group, bond-valence Raman, crystallographic and chemical characterization of roméite-group minerals. Gerson Anderson de Carvalho Lopes¹, Daniel Atencio², Marcelo Barbosa de Andrade¹ ¹São Carlos Institute of Physics, Av. Trabalhador São-carlense, 400, Pq. Arnold Schimidt – CEP 13566-590, São Carlos-SP - Brazil; ²Institute of Geosciensces, Rua do Lago, 562, Butantã – CEP 05508-080, São Paulo–SP - Brazil Bibliography LOPES, Gérson Anderson de Carvalho. Descrição e caracterização cristaloquímica de minerais do grupo da romeíta. 2019. Dissertação (Mestrado em Física Aplicada) - Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, 2019. doi:10.11606/D.76.2019.tde-16102019-135855. Acesso em: 2021-03-20. SILVA, M. P. ; MOURA, H. P. ; LOPES, G. A. C. ; COSTA, J. A. ; FONSECA FILHO, H. D. da . MINERALOGIA DE MATERIAL CONSTRUTIVO DO SÉCULO XVIII: A IGREJA DE PEDRA DE MAZAGÃO VELHO (AMAPÁ-BRASIL). PERIÓDICO TCHÊ QUÍMICA (MEIO ELETRÔNICO), v. 16, p. 806-810, 2019. RAMOS, G. Q. ; ALMEIDA, S. S. M. S. ; BEZERRA, R. M. ; LOPES, G. A. C. ; FONSECA FILHO, H. D. da . Mineral composition of leaves, ethanolic leaf extract and infusions of A. occidentale L. from Amazon in Northern Brazil. Mintage Journal of Pharmaceutical & Medical Sciences, v. 6, p. 8-11, 2017. External Resource: ID: 1424 / Poster - 45 Minerals: 7 Chemical crystallography, crystal structures Poster MS: Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: crystal structure, oxidotellurates, modular structure Cd₄Te₅O₁₄, consisting of [Te₅O₁₄]-chains, a novel structure element for oxidotellurates(IV) Felix Eder, Matthias Weil TU Vienna, Vienna, Austria External Resource: ID: 695 / Poster - 45 Minerals: 8 Materials and minerals Oral/poster MS: Modular structure of inorganic and mineral compounds Keywords: intercalation compounds, arsenic(III) oxide, alkali halides Water induced variety of arsenic(III) oxide intercalates with alkali chlorides Piotr A. Gunka Warsaw University of Technology, Warszawa, Poland External Resource: ID: 681 / Poster - 45 Minerals: 9 Bursary application Poster MS: Complex structures of minerals and inorganic materials Posters only: Structure and phase transitions in advanced materials Keywords: immobilization of high-level waste, crystal structures, X-ray phase analysis Study of the NdO1.5-TiO2-ZrO2 ternary system of potential matrices for the immobilization of actinide wastes Amina Sergeevna Ulanova, M S Nikolsky IGEM, Moscow, Russian Federation Bibliography •Ulanova A.S., Marchenko E.I., Eremin N.N. «A new self-consistent interatomic potential set for structure modeling of monazites and xenotimes with variable composition», Minerals: Structure, Properties, Methods of Investigation, серия Springer Proceedings in Earth and Environmental Sciences. (2019) •Muromtsev N.A., Eremin N.N., Ulanova A.S., Marchenko E.I. «Crystallochemical analysis of actinoids diffusion path in the structures of light rare earth monazites», Minerals: Structure, Properties, Methods of Investigation, серия Springer Proceedings in Earth and Environmental Sciences. (2019) •Eremin N.N., Marchenko E.I., Mikhailova P.S., Ulanova A.S. "Theoretical evaluation of the energetics of the incorporation of plutonium impurities into phosphates with the structure of monazite, xenotime and rhabdophane", Problems of crystalology, series Issue 7, p. 16-29. (2019) External Resource: ID: 812 / Poster - 45 Minerals: 10 Materials and minerals Oral/poster MS: Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Keywords: shape memory, force induced reorientation, Ni2MnGa, twinning Ni₂MnGa shape memory alloy studied by x-ray diffraction measured in-situ in tension Petr Cejpek¹, Kristián Mathis¹, Daria Drozdenko¹, Oleg Heczko², Ladislav Straka², Ross Colman¹ ¹Charles University, Praha, Czech Republic; ²Institute of Physics of Czech Academy of Sciences, Praha, Czech Republic External Resource: ID: 1144 / Poster - 45 Minerals: 11 Materials and minerals Poster MS: Complex structures of minerals and inorganic materials Keywords: Tourmaline, Mӧssbauer spectroscopy, structural formula, Fe disorder ⁵⁷Fe Mössbauer spectroscopy study of the Fe-bearing, Ge,Ga-rich synthetic tourmalines Oxana Anosova¹, Kirill V. Frolov¹, Tatiana V. Setkova², Vladimir S. Balitsky², Elena Yu. Borovikova³ ¹Shubnikov Institute of Crystallography of FSRC “Crystallography and Photonics” RAS, Moscow, Russian Federation; ²D.S. Korzhinskii Institute of Experimental Mineralogy RAS, Chernogolovka, Russian Federation; ³Faculty of Geology, Moscow State University, Moscow, Russian Federation External Resource: ID: 351 / Poster - 45 Minerals: 12 Bursary application Poster MS: Complex structures of minerals and inorganic materials, Non-covalent interactions in crystal engineering, Application of electron crystallography to functional materials Posters only: General (if it does not fit to any specific topics nor areas) Keywords: Complex, Antiprism, Co-crystal, Schiff base, Heteronuclear Co-crystal structure of a dinuclear (Zn-Y) and a trinuclear (Zn-Y-Zn) complexes derived from a Schiff base ligand Ibrahima Elhadji Thiam¹, Mohamed Lamine Gaye¹, Javier Alcides Ellena², Mamour Sarr¹, Mayoro Diop¹, Natalia Alvarez³, Aliou Hamady Barry⁴ ¹Université Cheikh Anta DIOP de Dakar, Dakar, Senegal; ²Instituto de Física de São Carlos, Universidade de São Paulo, CP 369, 13.560-970, São Carlos, SP, Brazil; ³Facultad de Química, General Flores 2124, UdelaR, Montevideo, 11800, Uruguay; ⁴Department of Chemistry, University of Nouakchott, Nouakchott, 130301, Mauritania Bibliography 1. Co-crystal structure of a dinuclear (Zn-Y) and a trinuclear (Zn-Y-Zn) complexes derived from a Schiff base ligand M. Sarr, M. Diop, I. E. Thiam, M. Gaye, A. H. Barry, N. Alvarez, J. Ellena, Eur. J. of Chem., 2018, 9 (2), 67-73. 2. Costes, J. P.; Dahan, F.; Dupuis, A.; Laurent, J. P. Inorg. Chem. 1997, 36, 4284-4286. 3. Han, S. D.; Zhao, J. P.; Chen, Y. Q.; Liu, S. J.; Miao, X. H.; Hu, T. L.; Bu, X. H. Cryst. Growth Des. 2014, 14, 2-5 External Resource: ID: 325 / Poster - 45 Minerals: 13 Bursary application Poster MS: Complex structures of minerals and inorganic materials Keywords: Schiff base, Complexes, Crystal structure Copper(II) and zinc(II) complexes based on azo Schiff base ligand: Synthesis, crystal structure and photoisomerization study Siham SLASSI¹, Abdelkrim EL-Ghayoury², Mohammed Aarjane¹, Amina Amine¹ ¹Moulay Ismail University faculty of Science Meknes, Meknes, Morocco; ²Université d’Angers, France Bibliography 1- Slassi S, El-Ghayoury A, Aarjane M, Yamni K, Amine A. New copper(II) and zinc(II) complexes based on azo Schiff base ligand: Synthesis, crystal structure, photoisomerization study and antibacterial activity. Applied Organometallic Chemistry, e5503, 2020. DOI.: 10.1002/aoc.5503 2- Siham Slassi, Mohammed Aarjane, Khalid Yamni, Amina Amine, Synthesis, Crystal structure, DFT calculations, Hirshfeld surfaces, and Antibacterial activities of Schiff base based on imidazole, Journal of molecular structure. 2019, 1197, 547-554. DOI: 10.1016/j.molstruc.2019.07.071. External Resource: ID: 703 / Poster - 45 Minerals: 14 Bursary application Oral/poster MS: Modular structure of inorganic and mineral compounds, Texture, strain and structure in metals and ceramics, Complex structures of minerals and inorganic materials Posters only: Porous materials, Crystallography in industry and applied sciences, Materials and minerals (if it does not fit to any specific topics) Keywords: Clay; development ; geopolymer ; characterization ; building Geopolymers based on some clay from Burkina Faso : preparation and characterization Soungalo OUATTARA¹, Brahima SORGHO¹, Lamine ZERBO¹, Youssouf SAWADOGO¹, Moustapha SAWADOGO¹, Mohamed SEYNOU¹, Philippe BLANCHART² ¹University Joseph Ki-Zerbo, Ouagadougou, Burkina Faso; ²Institut of Research in Ceramique (IRCER) Bibliography 1- Yeri Dah-Traoré, Lamine Zerbo, Mohamed Seynou, Raguilnaba Ouedraogo, Mechanical, Microstructural and Mineralogical Analyses of Porous Clay Pots Elaborated with Rice Husks, Journal of Minerals and Materials Characterization and Engineering, 2018, 6, 257-270 2- Brahima SORGHO, Boubié GUEL, Lamine ZERBO, Moussa GOMINA et Philippe BLANCHART ; A study of adsorption of cadmium, copper and lead by two clays from Burkina Faso ; Int. J. Biol. Chem. Sci. 12(6): 2933-2950, 2018 3- Issiaka Sanou, Mohamed Seynou, Lamine Zerbo, Raguilnaba Ouedraogo ; Mineralogy, Physical and Mechanical Properties of Adobes Stabilized with Cement and Rice Husk Ash ; Science Journal of Chemistry 2019; 7(1): 1-10 4- Moussa Ouedraogo, Kalifala Dao, Younoussa Millogo, Jean-Emmanuel Aubert, Adamah Messan, Mohamed Seynou, Lamine Zerbo, Moussa Gomina ; Physical, thermal and mechanical properties of adobes stabilized with fonio (Digitaria exilis) straw ; Journal of Building Engineering 23 (2019) 250–258 5- L. Zerbo, M. Seynou, B. Sorgho, G. Lecomte-Nana, M. Gomina, P. Blanchart ; Microstructure and Weibull distribution of rupture strength of clay-talc ceramics ; Cerâmica 65 (2019) 240-245 6- Brahima sorgho, Lamine Zerbo, Boubié Guel, Philippe Blanchart and Moussa Gomina ; Formulation of Ceramic Crucibles for Fire Assays ; Elixir Appl. Chem. 127 (2019) 52601-52607 7- Sanou, I., Sawadogo, M., Seynou, M., Zerbo, L. and Ouedraogo, R. (2019) Study of the Mechanical Behaviour of Mortars Modified with Rice Husk Ash. Journal of Minerals and Materials Characterization and Engineering, 7, 373-384. 8- Youssouf Sawadogo, Lamine Zerbo, Moustapha Sawadogo, Mohamed Seynou, Moussa Gomina, Philippe Blanchart, Characterization and use of raw materials from Burkina Faso in porcelain formulations ; Results in Materials, Volume 6, June 2020, 100085. https://doi.org/10.1016/j.rinma.2020.100085 9- Ouanmini Bobet, Sory Nassio, Mohamed Seynou, Bakiono Remy, Lamine Zerbo, Issiaka Sanou, Moustapha Sawadogo, Younoussa Millogo, Escadeillas Gilles ; Characterization of Peanut Shells for Their Valorization in Earth Brick. Journal of Minerals and Materials Characterization and Engineering, 2020, 8, 301-315 External Resource: ID: 1419 / Poster - 45 Minerals: 15 Chemical crystallography, crystal structures Poster MS: Complex structures of minerals and inorganic materials Keywords: crystal growth; doping; transition metals; frame structure; local structure Impact of dopant type (Tm, Co, and Mn) and doping method on the local and statistical structure of framework whitlockite-type Ca₃(VO₄)₂ crystals. New crystal-chemical effects. Galina Kuz'micheva¹, Irina Kaurova¹, Liudmila Ivleva² ¹MIREA - Russian Technological University, 78 Vernadsky ave., Moscow 119454, Russia; ²Prokhorov General Physics Institute, Russian Academy of Sciences, 38 Vavilova str., Moscow 119991, Russia External Resource: ID: 1462 / Poster - 45 Minerals: 16 Chemical crystallography, crystal structures Poster MS: Complex structures of minerals and inorganic materials Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Lead-free piezoelectrics, morphotropic phase boundary, structural analysis Understanding the structure-property relationships of lead-free piezoelectric systems Alicia Maria Manjon Sanz^1,2, Charles McLouth Culbertson², Caitlin Berger², Michelle Dolgos^2,3 ¹Oak Ridge National Laboratory; ²Oregon State University; ³University of Calgary External Resource: ID: 1516 / Poster - 45 Minerals: 17 Chemical crystallography, crystal structures Poster MS: Complex structures of minerals and inorganic materials Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Rietveld analysis, lead-free, Thermoelectric, HRTEM, Selenides New lead- and tellurium-free thermoelectric materials: AgSn_m(Sb_xBi_1-x)Se_m+2 Daniela Delgado¹, Paulina Valencia-Gálvez¹, María Luisa López², Inmaculada Álvarez-Serrano², Silvana Moris³, Antonio Galdámez¹ ¹Departamento de Química, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, Chile; ²Departamento de Química Inorgánica, Facultad de Ciencias Químicas, Universidad Complutense, 28040 Madrid; ³Centro de investigación de estudios avanzados del Maule (CIEAM), Vicerrectoría de Investigación y Postgrado, Universidad Católica del Maule, Avenida San Miguel 3605, Talca 3480112, Chile External Resource: ID: 1612 / Poster - 45 Minerals: 18 Materials and minerals Poster MS: Complex structures of minerals and inorganic materials Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Alexandrite, Emerald, orthorhombic symmetry, hexagonal symmetry, crystallographic relationship What are the crystallographic and genetic implications of a naturally occurring polycrystal composed of two mineral phases of distinct symmetries and anionic groups? The case study of “joint-occurrence” of emerald+alexandrite polycrystals from Brazil Teodoro Gauzzi¹, Leonardo Martins da Graça², Marco Antonio Leandro da Silva², Erico Tadeu Fraga Freitas¹, Breno Barbosa Moreira¹, Karla Balzuweit^3,1 ¹Centro de Microscopia, Universidade Federal de Minas Gerais, Belo Horizonte , Brazil; ²Departamento de Geologia, Universidade Federal de Ouro Preto, Brazil; ³Departamento de Física, Universidade Federal de Minas Gerais, Brazil External Resource: ID: 1342 / Poster - 45 Minerals: 19 Chemical crystallography, crystal structures Oral/poster MS: Graphs, tilings and crystal structures, Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Keywords: x-ray structure determination; high absorption coefficients; thallides; alkali metal; Zintl phases. Effects upon Substitution in Alkali Metal Thallides: How far can X-Ray Structure Determination of Strongly Absorbing Compounds go? Stefanie Gärtner University of Regensburg, Institute of Inorganic Chemistry, Regensburg, Germany External Resource: ID: 634 / Poster - 45 Minerals: 20 Bursary application Oral/poster MS: Complex structures of minerals and inorganic materials, Polymorphism and structural transformation of organic crystals from synthesis to characterization Special sessions: Exemplary practice in chemical, biological and materials database archiving Posters only: Structure and phase transitions in advanced materials, Crystallographic analysis of films and surfaces, Crystallography in industry and applied sciences, Physical and fundamental crystallography (if it does not fit to any specific topics), Materials and minerals (if it does not fit to any specific topics), Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Cement, Polymorph, Crystal structure, alite Investigation of The Relationship between Groups and Subgroups in C3S’s Structure Transition dounia Tlamsamani, mbark ait mouha, khalid yamni Materials, Molecular Engineering Environment Laboratory, Moulay Ismail University, Zitoune 11201, Morocco Bibliography Dounia TLAMSAMANI, Oral communication « The effect of M1 and M3 polymorph on the rate on the rate of hydration of cement, using Rietveld analysis», ICAMME19, Meknes- MOROCCO, 02-05 Avril 2019.  Dounia TLAMSAMANI, Poster communication « Quantitative analysis and microstructural study of commercial clinkers using Rietveld analysis », ICAMME19, Meknes, Morocco, 02-05 Avril 2019. External Resource: ID: 1610 / Poster - 45 Minerals: 21 Poster sessions Poster Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Transition metals, Oxychalcogenides, Layered structures Synthesis and topotactic manipulation of layered oxysulfide CaSrMnO₂Cu_4-δS₃ Viktoria Falkowski, Simon J. Clarke University of Oxford, Inorganic Chemistry Laboratory, South Parks Rd, Oxford, OX1 3QR, UK External Resource: ID: 1614 / Poster - 45 Minerals: 22 Materials and minerals Poster Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Pd17Se15, palladseite, Rietlved refinement, minerals, substitutions Ag, Cu, Hg, Pt, and Te substitutions in the synthetic analogue of palladseite, Pd₁₇Se₁₅: an experimental mineralogical study František Laufek, Anna Vymazalová Czech Geological Survey, Prague, Czech Republic External Resource: ID: 1513 / Poster - 45 Minerals: 23 Poster sessions Poster Posters only: Minerals and inorganic structures Keywords: fluorapatite; charge density; multipole model formalism; single-crystal Charge density in fluorapatite, Ca₅(PO₄)₃F, from X-ray diffraction measurements on mineral and synthetic crystals Agnieszka Huć¹, Marcin Stachowicz¹, D. E. Harlov², Jan Parafiunk¹, Krzysztof Woźniak³ ¹Institute of Geochemistry, Mineralogy and Petrology, Faculty of Geology, University of Warsaw, Żwirki i Wigury 93, Warsaw 02-089, Poland, Section 3.6; ²GeoForschungsZentrum, Telegrafenberg, 14473 Potsdam, Germany; ³3Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, Warszawa 02-093, Poland External Resource: ID: 1507 / Poster - 45 Minerals: 24 Materials and minerals Poster Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Ca-M-Co-O, crystal chemistry, crystallography, phase diagrams, thermoelectric materials Crystal Chemistry, Phase Diagrams, and Thermoelectric Properties of the Ca-M-Co-O (M=Sr, La, Sm, Eu, Gd, and Ho) Systems Winnie Wong-Ng¹, William Laws¹, Saul H Lapidus², Qing Huang¹, James A Kaduk^3,4 ¹NIST, Gaithersburg, MD United States of America; ²APS, ANL, Argonne, IL United States of America; ³IIT, Chicago, IL United States of America; ⁴North Central College, Naperville, IL United States of America External Resource: ID: 1687 / Poster - 45 Minerals: 26 Materials and minerals Oral/poster Posters only: General (if it does not fit to any specific topics nor areas) Keywords: Borate, anharmonicity Crystal chemistry of halide containing silver borates. Sergey Volkov¹, Dmitri Charkin², Manelis Lev², Rimma Bubnova¹ ¹Grebenshchikov Institute of Silicate Chemistry, Saint-Petesrsburg, Russian Federation; ²Department of Chemistry, Lomonosov Moscow State University, Moscow, Russian Federation External Resource: ID: 1692 / Poster - 45 Minerals: 27 Poster sessions Oral/poster Posters only: General (if it does not fit to any specific topics nor areas), Minerals and inorganic structures Keywords: Imidazole, ambiphilic; anion sensing; fluoride; luminescence Imidazole Based Ambiphilic Ligands for Anion Sensing, Metalation and Photophysical Properties SABEEHA PARVEEN, AVINASH IRUTHAYARAJ, ANANTHARAMAN GANAPATHI Indian Institute of Technology Kanpur, KANPUR, India External Resource: ID: 1874 / Poster - 45 Minerals: 28 Poster sessions Poster Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: deep-sea nodules, metal reduction, aluminothermy, EBSD, manganese Phase structure of metallothermally reduced deep-sea concretion Jaromír Kopeček¹, František Laufek², Alena Michalcová³, Lucie Šulcová³, Alisa Tsepeleva³, Eliška Chmelíková³, David Nováček³, Nguyen Hong Vu³, Petr Dvořák³, Pavel Novák³ ¹FZU - Institute of Physics of the CAS, Praha, Czech Republic; ²Czech Geological survey, Praha, Czech Republic; ³University of Chemistry and Technology in Prague, Praha, Czech Republic External Resource: ID: 1689 / Poster - 45 Minerals: 29 Chemical crystallography, crystal structures Oral/poster MS: Modular structure of inorganic and mineral compounds, Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering, Complex structures of minerals and inorganic materials Keywords: Polyoxometalates, Lanthanides, Structural Landscape, Synthesis-Structure-Property Correlation Structural Landscape of Lanthanide coordinated Polyoxometalates Shailabh Tewari, Arunachalam Ramanan Indian Institute of Technology Delhi, Ghaziabad, India External Resource:
5:10pm - 6:10pm	Poster - 46 SAXS: SAXS, SANS Session Chair: Semra IDE Session Chair: Jan Ilavsky
	ID: 1973 / Poster - 46 SAXS: 1 Poster session abstracts Poster Poster session abstracts Radomír Kužel ID: 1320 / Poster - 46 SAXS: 2 All topics Poster MS: Small- and Wide-Angle Scattering for industrial materials far from equilibrium Keywords: liposome, structure, SAXS Structural characterization of liposomes using integrated methods of HPLC/AF4, UV-Vis absoprtion, Refractive Index, MALLS, DLS, and SAXS TingWei Hsu¹, Kuei-Fen Liao¹, Yi-Qi Yeh¹, Orion Shih¹, U-Ser Jeng^1,2 ¹National Synchrotron Radiation Research Center, Hsinchu Science Park, Hsinchu 30076, Taiwan;; ²Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, External Resource: ID: 1288 / Poster - 46 SAXS: 3 Biological and macromolecular crystallography Poster MS: Structural bioinformatics, Automation in bio-crystallography: tools, perspectives and applications, Integrative structural biology: The next 50 years of the Protein Data Bank, Solution scattering and combined techniques for biological systems, including component dynamics system, Protein design and engineering Posters only: General (if it does not fit to any specific topics nor areas) Keywords: Dipeptide repeats, Proline-Arginine, solution X-Ray Scattering, Molecular structural simulation Solution Structures of Intrinsically Disordered Dipeptide-Repeats Studied by SAXS and Molecular Structure Simulation Tien-Chang Lin¹, U-Ser Jeng^1,2, Yun-Ru Chen³, Bing-Jun Lian¹, Kai-Tai Lin¹, Yu-Jen Chang³, Orion Shih², Yi-Qi Yeh², Kuei-Fen Liao² ¹Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan; ²National Synchrotron Radiation Research Center, Hsinchu,Taiwan; ³Genomics Research Center, Academia Sinica, 115, Taiwan External Resource: ID: 1205 / Poster - 46 SAXS: 4 All topics Oral/poster MS: Nanocrystalline materials, Small- and Wide-Angle Scattering for industrial materials far from equilibrium Posters only: General (if it does not fit to any specific topics nor areas) Keywords: commodity plastics; plastic packaging; wide angle X-ray scattering; small angle X-ray scattering Nanostructural changes in commodity polyethylene during environmental exposure Christoper Garvey^1,2,3, Ron Demjaha², Michael Weir⁴, Peter Halley⁵, Bronwyn Laycock⁵, Yu-Chieh Hsu⁵, Marianne Impéror-Clerc¹, Stéphan Rouzière¹ ¹Technical University Munich, Garching, Germany; ²Lund Institute for Advanced Neutron and X-ray Science, 223 70 Lund, Sweden; ³Heinz Maier-Leibnitz Zentrum (MLZ), Lichtenbergstrasse 1 85747, Garching, Germany; ⁴School of Physics and Astronomy, University of Nottingham, University Park, Nottingham, NG7 2RD, United Kingdom; ⁵School of Chemical Engineering, The University of Queensland, St Lucia, Qld. 4067, Australia External Resource: ID: 1241 / Poster - 46 SAXS: 5 Materials and minerals Oral/poster MS: Nanocrystalline materials, Small- and Wide-Angle Scattering for industrial materials far from equilibrium Posters only: Materials and minerals (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: SANS, titanium alloys, hard metals, tungsten carbide, anatase nanocrystallites Investigations of the precipitation microstructure in the alloys, hard metal composites, and powders using SANS Vasyl Ryukhtin¹, Pavel Strunz¹, Ahmet Bahadir Yildiz², Pavel Zháňal^3,4, Kazuki Ohishi⁵, Yukihiko Kawamura⁵, Premysl Beran⁶, Snejana Bakardjieva⁷ ¹Nuclear Physics Institute Řež, Řež, Czech Republic; ²Department of Materials Science and Engineering, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden; ³Material and Mechanical Properties, Research Centre Řež Ltd., Řež, Czech Republic; ⁴Charles University in Prague, Faculty of Mathematics and Physics, Ke Karlovu 3, 12116, Prague, Czech Republic; ⁵Neutron Science and Technology Center, CROSS, Tokai, Ibaraki 319-1106, Japan; ⁶ESS AB, Lund, Sweeden; ⁷Institute of Inorganic Chemistry CAS, 250 68 Husinec-Rez, Czech Republic External Resource: ID: 302 / Poster - 46 SAXS: 6 Bursary application Oral/poster MS: Nanocrystalline materials, Porous framework materials for gas adsorption/separation, Small- and Wide-Angle Scattering for industrial materials far from equilibrium Keywords: metal oxides; small and wide angle x ray scattering; surface area; porous materials; physicochemical properties R&D Studies on metal oxide-based nanoparticles: Structure dependent physical and chemical properties Gözde Bayazit Sekitmen¹, Rukiye Babaca Tosun¹, Süleyman Ali Tuncel², Semra İde³ ¹Department of Nanotechnology and Nanomedicine,Hacettepe University, ANKARA, Turkey; ²Department of Chemical Engineering,Hacettepe University, ANKARA, Turkey; ³Department of Physics Engineering,Hacettepe University, ANKARA, Turkey Bibliography [1] R.B. Tosun, Ç. Kip, A.Tuncel, New J. Chem. ,2019, DOI:10.1039/c9nj03527c [2] Y.Xie et.al. J. Power Sources, 2019, 425,1-9. [3]K.Ö. Hamaloglu, E. sağ, A. Tuncel, J. Photochem. Photobiol.A: Chem., 2017,332, 60-65. External Resource: ID: 1292 / Poster - 46 SAXS: 7 Materials and minerals Poster MS: Nanocrystalline materials, Small- and Wide-Angle Scattering for industrial materials far from equilibrium, Energy Materials Posters only: Crystallographic analysis of films and surfaces Keywords: Small-Angle X-Ray Scattering, Self-healing, Polyurethane Revealing the Metal-Ligand Coordination effects on the Structure modifications for Balanced Tensile Modulus and Self-Healing of Polyurethane Films Yu Sheng Lin¹, Chun-Hsiu Lin¹, Wei-Ru Wu², Chun-Jen Su², Ho-Hsiu Chou¹, An-Chung Su², U-Ser Jeng^1,2 ¹National Tsing Hua University, Hsinchu , Taiwan; ²National Synchrotron Radiation Research Center, Hsinchu,Taiwan External Resource: ID: 1318 / Poster - 46 SAXS: 8 All topics Oral/poster MS: Integrative methodologies for novel thin film structures Keywords: small angle scattering, standards, calibration Development of reference standard for small angle scattering measurement q calibration R. Joseph Kline NIST, Gaithersburg, United States of America External Resource: ID: 1550 / Poster - 46 SAXS: 9 Poster sessions Poster Posters only: Porous materials, Materials for energy conversions and storage, Nanomaterials, SAXS, SANS, Spectroscopy and X-ray diffraction Keywords: PEMFC, SAXS, XRF, PXCT Towards a better understanding of structure-performance relation in PEMFC fuel cells based on ptychography X-ray nanotomography and scanning small angle X-ray scattering Christian Appel¹, Katharina Jeschonek², Kai Brunnengräber², Bastian Etzold², Marianne Liebi^3,4, Manuel Guizar-Sicairos¹ ¹Paul Scherrer Institut, Villigen, Switzerland; ²Technische Universität Darmstadt, Darmstadt, Germany; ³EMPA, St. Gallen, Switzerland; ⁴Chalmers University of Technology, Gothenburg, Sweden External Resource: ID: 1529 / Poster - 46 SAXS: 10 Biological and macromolecular crystallography Poster MS: Solution scattering and combined techniques for biological systems, including component dynamics system Posters only: General (if it does not fit to any specific topics nor areas) Keywords: small-angle neutron scattering, contrast matching, size exclusion chromatography, antibody Structural analysis of antibody complexes by inverse contrast-matching small-angle neutron scattering combined with size exclusion chromatography (SEC-iCM-SANS) Nobuhiro Sato¹, Rina Yogo^2,3,4, Saeko Yanaka^2,3,4, Anne Martel⁵, Lionel Porcar⁵, Ken Morishima¹, Rintaro Inoue¹, Taiki Tominaga⁶, Takao Arimori⁷, Junichi Takagi⁷, Masaaki Sugiyama¹, Koichi Kato^2,3,4 ¹Institute for Integrated Radiation and Nuclear Science, Kyoto University, Osaka, Japan; ²Institute for Molecular Science (IMS), National Institutes of Natural Sciences, Okazaki, Aichi, Japan; ³Exploratory Research Center on Life and Living Systems (ExCELLS), National Institutes of Natural Sciences, Okazaki, Aichi, Japan; ⁴Graduate School of Pharmaceutical Sciences, Nagoya City University, Nagoya, Aichi, Japan; ⁵Institut Laue–Langevin, Grenoble, France; ⁶Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society (CROSS), Tokai, Ibaraki, Japan; ⁷Institute for Protein Research, Osaka University, Suita, Osaka, Japan External Resource: ID: 1498 / Poster - 46 SAXS: 11 Poster sessions Poster Posters only: Methods, instrumentation (if it does not fit to any specific topics) Keywords: SAXS, beamline, synchrotron facility Small-angle X-ray scattering beamlines at the photon factory Nobutaka Shimizu, Hideaki Takagi, Yasuko Nagatani, Kento Yonezawa, Takeharu Mori, Keiko Yatabe, Masatsuyo Takahashi, Keishi Oyama, Noriyuki Igarashi Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki, Japan External Resource: ID: 1771 / Poster - 46 SAXS: 12 Poster sessions Poster Posters only: SAXS, SANS, Structural bioinformatics Keywords: ATSAS, SAXS, amyloid fibrils, automation, structural kinetics A pipeline for time-resolved small-angle X-ray scattering data analysis on amyloid fibrils formation in solution Taja Cheremnykh¹, Mohsin Shafiq², Stefano Da Vela¹, Markus Glatzel², Dmitri Svergun¹ ¹EMBL Hamburg, Hamburg, Germany; ²UKE, Hamburg, Germany External Resource:
5:10pm - 6:10pm	Poster - 47 Synchrotron and XFEL: Synchrotron and XFEL facilities Session Chair: Sofia Diaz-Moreno Session Chair: Makina Yabashi
	ID: 1974 / Poster - 47 Synchrotron and XFEL: 1 Poster session abstracts Poster Poster session abstracts Radomír Kužel ID: 1275 / Poster - 47 Synchrotron and XFEL: 2 Methods and instruments Oral/poster MS: 4th generation SR and XFEL Facilities Keywords: Beam heating; radiation damage Beam heating from a fourth-generation synchrotron source Eleanor Lawrence Bright, Carlotta Giacobbe, Jonathan Wright European Synchrotron Radiation Facility, Grenoble, France External Resource: ID: 1151 / Poster - 47 Synchrotron and XFEL: 3 All topics Oral/poster MS: 4th generation SR and XFEL Facilities, Handling of big data in crystallography Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: computing, diffraction, azimuthal integration, big data, light sources Azimuthal integration and crystallographic algorithms on field-programmable gate arrays Zdeněk Matěj¹, Kenneth Skovhede^1,2, Carl Johnsen², Artur Barczyk¹, Clemens Weninger¹, Andrii Salnikov¹, Brian Vinter² ¹MAX IV Laboratory, Lund University, Sweden; ²Niels Bohr Institute, University of Copenhagen, Denmark External Resource: ID: 352 / Poster - 47 Synchrotron and XFEL: 4 Bursary application Oral/poster MS: 4th generation SR and XFEL Facilities Keywords: Synchrotron, powder diffraction, 2D detector, structural analysis High-resolution synchrotron powder diffraction with the use of scanning 2D detector Roman Svetogorov, Pavel Dorovatovskii, Vladimir Lazarenko NRC Kurchatov Institute, Moscow, Russian Federation Bibliography Svetogorov R.D., Dorovatovskii P.V., Lazarenko V.A. Belok/XSA diffraction beamline for studying crystalline samples at Kurchatov synchrotron radiation source // Crystal Research and Technologies (2020) in press R.D. Svetogorov, Y.V. Zubavichus, S.V. Shavkin, A.I. Ryazanov, R. Flukiger, E.V. Semenov, L. Bottura, C. Scheuerlein. Resonant diffraction study of structural disorder in Nb3Sn // Acta Crystallographica Section A: Foundation and Advances, 73 (2017), C557. R. Svetogorov, Y. Zubavichus, A. Ryazanov, E. Semenov, R. Flukiger, L. Bottura Synchrotron powder diffraction methods // 3rd European Crystallography School (ECS3), 25 september – 2 october 2016, Croatia, book of abstracts, p. 23. R. Svetogorov, Y. Zubavichus, A. Ryazanov, E. Semenov, R. Flukiger, L. Bottura. Investigation of a degree of structural disorder in Nb3Sn after irradiation using resonant X-ray diffraction // REXS 2016 – The Hamburg Conference on Resonant Elastic X-ray Scattering, 12 – 18 of June 2016, Hamburg, Germany, Book of abstracts, p. 15. Roman Svetogorov, Yan Zubavichus, Sergey Shavkin, Alexander Ryazanov, Rene Flukiger. The use of anomalous scattering to probe antisite disorder in superconducting Nb3Sn-based materials after proton irradiation // 12th Biennial Conference on High-Resolution X-Ray Diffraction and Imaging XTOP 2014, 14-19 of September, 2014, France, Book of abstracts, p. 188. External Resource: ID: 1654 / Poster - 47 Synchrotron and XFEL: 5 Methods and instruments Poster MS: In-situ and operando studies of battery materials, Total scattering, Combining X-ray diffraction and spectroscopy to characterise materials, 4th generation SR and XFEL Facilities, Small- and Wide-Angle Scattering for industrial materials far from equilibrium Posters only: Methods, instrumentation (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: synchrotron radiation; powder diffraction; total scattering; nanomaterials; materials science The APS upgrade: New Opportunities for Materials and Applied Science Uta Ruett Argonne National Laboratory, Lemont, United States of America External Resource: ID: 1460 / Poster - 47 Synchrotron and XFEL: 6 Methods and instruments Poster MS: 4th generation SR and XFEL Facilities Posters only: Methods, instrumentation (if it does not fit to any specific topics) Keywords: xrt; ray tracing Conceptual design of a scattering/diffraction beamline for the Russian synchrotron Ultimate Source for Synchrotron Radiation Melanie Nentwich¹, Dmitri Novikov¹, Oliver Seeck¹, Timur V. Kulevoy², M. M. Borisov², Ilya A. Subbotin², Roman A. Senin² ¹DESY Photon Science, Hamburg, Germany; ²NRC “Kurchatov Institute” – Institute for Theoretical and Experimental Physics, Moscow, Russia External Resource: ID: 1577 / Poster - 47 Synchrotron and XFEL: 7 Methods and instruments Oral/poster MS: 4th generation SR and XFEL Facilities Keywords: Macromolecular crystallography, Beamline The BioMAX beamline for macromolecular crystallography at MAX IV Ana Gonzalez, Oskar Aurelius, Monika Bjelčić, Mikel Eguiraun, Ishkhan Gorgisyan, Elmir Jagudin, Sandesh Kanchugal, Tobias Krojer, Mirko Milas, Jie Nan, Thomas Ursby MAX IV Laboratory, Lund, Sweden External Resource: ID: 1702 / Poster - 47 Synchrotron and XFEL: 8 Chemical crystallography, crystal structures Poster Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Instrumentation, High-Throughput, Synchrotron The Chemical Crystallography Beamline P24 - Status and Future Developments Christian W. Lehmann¹, Christian Schäfer¹, Carsten Paulmann² ¹MPI für Kohlenforschung, Mülheim an der Ruhr, Germany; ²Universität Hamburg, Hamburg, Germany External Resource: ID: 1682 / Poster - 47 Synchrotron and XFEL: 9 Methods and instruments Poster Posters only: Methods, instrumentation (if it does not fit to any specific topics) Keywords: spectroscopy, polarization, coherence, diffraction Possibilities at the Polar beamline at APS Joerg Strempfer, Steven Kearney, Altaf Khan, Daniela Capatina, Deming Shu, Ruben Reininger, Luca Rebuffi, Yongseong Choi, Gilberto Fabbris, Daniel Haskel Argonne National Laboratory, Lemont, United States of America External Resource:
6:10pm - 7:00pm	KN-31: The contribution of crystallography to new vaccine formulations Location: Terrace 2A Session Chair: Graciela Carlota Díaz de Delgado Marcia Fantini
	ID: 1572 / KN-31: 1 Plenary and keynote Invited lecture to session Keywords: Oral vaccine, Porous silica, SAXS, XAS, XPCT Using crystallography tools to improve vaccine formulations Márcia Carvalho de Abreu Fantini¹, Cristiano Luis Pinto Oliveira¹, José Luiz de Souza Lopes¹, Tereza da Silva Martins², Milena Apetito Akamatsu³, Aryene Góes Trezena⁴, Milene Tino de Franco⁴, Viviane Fongaro Botosso⁵, Osvaldo Augusto Brazil Esteves Sant´Anna⁶, Nikolay Kardjilov⁷, Martin Kjaerulf Rasmussen⁸, Heloísa Nunes Bordallo⁸ ¹University of São Paulo, Physics Institute, São Paulo - SP, Brazil; ²Chemistry Department, Federal University of São Paulo, Diadema - SP, Brazil; ³Innovation Division, Butantan Institute, São Paulo - SP, Brazil; ⁴Imunogenetic Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁵Virology Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁶Imunochemistry Laboratory, Butantan Institute, São Paulo - SP, Brazil; ⁷HZB für Materialien und Energie, Helmholtz-Zentrum Berlin, Berlin, Germany; ⁸Niels Bohr Institute, University of Copenhagen, External Resource:
6:10pm - 7:00pm	KN-32: Crystallography and cultural heritage - On beauty, science and passion Location: Terrace 2B Session Chair: Jose Miguel Delgado Gilberto Artioli
	ID: 1576 / KN-32: 1 Plenary and keynote Oral/poster Keywords: cultural heritage, archaeometry, conservation Crystallography and cultural heritage - On beauty, science and passion Gilberto Artioli Università di Padova, Padova, Italy External Resource:
6:10pm - 7:00pm	KN-33: Overview of Global Neutron Sources, Instruments and Initiatives Location: Club A Session Chair: Jiri Kulda Ken Andersen
	ID: 1642 / KN-33: 1 Plenary and keynote Invited lecture to session Keywords: Neutron scattering, user facilities Overview of Global Neutron Sources, Instruments and Initiatives Ken Andersen Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States of America External Resource:
8:00pm - 11:55pm	Dinner: Conference dinner Location: National House extra fee

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Privacy Statement · Conference: IUCr 2021 | August 14 - 22, 2021 | Prague, Czech Republic

XXV General Assembly and Congress of the International Union of Crystallography - IUCr 2021

August 14 - 22, 2021 | Prague, Czech Republic

Conference Agenda

XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021