Name: DGK conference 2022
Start: 2022-03-14T09:00:00+01:00
End: 2022-03-17T16:00:00+01:00
Location: No location set

DGK conference 2022

from Monday, March 14, 2022 (9:00 AM) to Thursday, March 17, 2022 (4:00 PM)

Monday, March 14, 2022

9:00 AM

9:00 AM - 12:30 PM

1:00 PM Conference Opening
Conference Opening
1:00 PM - 1:30 PM
1:30 PM H. Ehrenberg
H. Ehrenberg
1:30 PM - 2:30 PM
Contributions

1:30 PM Electrochemical Energy Storage - Insights from in operando Measurements - Helmut Ehrenberg (KIT)
2:30 PM
2:30 PM - 4:10 PM
Contributions

2:30 PM The structural basis of orotidine-5’-phosphate decarboxylase catalysis: Ground-state destabilisation by electrostatic repulsion is not a driving force - Kai Tittmann

2:50 PM The crystal structure of phospholipase PlaB from Legionella pneumophila reveals the basis of tetramerization-dependent inactivation by a central metabolite - Wulf Blankenfeldt (DGK)

3:10 PM Structures of a DYW domain shed first light on a unique plant RNA editing regulation principle - Gert Weber (Helmholtz-Zentrum Berlin) Gottfried Palm (Universität Greifswald)

3:30 PM The crystal structures of post-reactive states of 2’-5’-oligoadenylate synthetase provide new insights into the mechanism of the innate immune signaling - Pavel Kats (Hannover Medical School)

3:50 PM Structural characterization of reaction intermediates of the copper-dependent formylglycine-generating enzyme - Florian Seebeck
2:30 PM - 4:10 PM
Contributions

2:30 PM Assessing the severity of ice contamination in processed data sets with a combination of statistical tools and machine learning in AUSPEX - Yunyun Gao (University Hamburg)

2:50 PM Teaching Edition of International Tables for Crystallography: Crystallographic Symmetry - Mois Ilia Aroyo (University of the Basque Country)

3:10 PM Multipole refinement and topological analysis of chemical bonding in β-boron - Claudio Eisele

3:30 PM DISEMM, a tool for the diffractive investigation of elasto-plastic behavior of polycrystalline alloys - Alexander Heldmann

3:50 PM Insights into the nature of host-guest interactions in emergent framework materials - Michelle Ernst
2:30 PM - 4:10 PM
Contributions

2:30 PM On the effects of mineral surfaces on nucleation and transformation of ikaite (CaCO3 x 6H2O) - Samuel B. Strohm

2:50 PM On the crystal arrangement in small mammal dental enamel - Jana Storsberg

3:10 PM Crystallographic architecture of sea urchin biocalcite - Wolfgang Schmahl (LMU Munich)

3:30 PM EPS of living bacteria influence the crystallization of EPS-hydrogel-calcite composite aggregates - Xiaofei Yin (Ludwig-Maximilians-Universität München)

3:50 PM Crystal organization and calcite/aragonite twin formation in biocarbonate structural materials - Erika Griesshaber (Department für Geo- und Umweltwissenschaften)
2:30 PM - 4:10 PM
Contributions

2:30 PM …to grind or not to grind? Cu/Zn disorder in Cu$_{2}$ZnSn(S$_{x}$Se$_{1-x}$)$_{4}$ monograins - Galina Gurieva (Helmholtz-Zentrum Berlin)

2:50 PM The same and not the same: The photovoltaic model system Zn$_ {1+x}$Ge$_{1-x}$(O$_x$N$_{1-x}$)$_2$ and its two independent modes of cation disorder revealed by Neutron diffraction. - Joachim Breternitz (Helmholtz-Zentrum Berlin für Materialien und Energie)

3:10 PM Beyond humidity: the underlying phase transitions in cesium-formamidinium lead halide perovskites - Juanita Hidalgo (Helmholtz-Zentrum Berlin für Materialien und Energie)

3:30 PM Structural flexibility of photovoltaic materials: the key to high efficient solar cells - Susan Schorr (Helmholtz-Zentrum Berlin für Materialien und Energie)
4:30 PM
4:30 PM - 5:30 PM
Contributions

4:30 PM Polder maps: Improving OMIT maps for ligand building and validation - Dorothee Liebschner
5:30 PM

5:30 PM - 7:00 PM

7:00 PM Welcome Reception
Welcome Reception
7:00 PM - 8:00 PM
Tuesday, March 15, 2022
9:00 AM
9:00 AM - 10:40 AM
Contributions

9:00 AM Local-structure Analysis of Li Oxy-sulfide Glass-Ceramic Solid Electrolytes - Ramon Zimmermanns

9:20 AM Computational search for novel Zn-ion conductors—a crystallochemical, bond valence, and density functional study - Tilmann Leisegang (TU Bergakademie Freiberg/Samara State Technical University)

9:40 AM Diffraction-based studies of lithium distribution in 18650-type Li-ion cells at multiple length scales - Anatoliy Senyshyn

10:00 AM The impact of γ´ nanoparticles on the tensile deformation of superelastic Co49Ni21Ga30 - Alexander Reul

10:20 AM Single-crystal elastic constants and load partitioning in titanium alloys - Markus Hoelzel
9:00 AM - 10:40 AM
Contributions

9:00 AM How well do we understand macromolecular crystals? - Andrea Thorn (Julius-Maximilians-Universität Würzburg)

9:20 AM Benefits of High Energy Data Collection in Macromolecular Crystallography - Selina Storm (EMBL Hamburg) Danny Axford (Diamond Light Source)

9:40 AM Identifying metal redox states through low dose measurements for spatially resolved anomalous dispersion refinement - Frank Lennartz (Macromolecular Crystallography, Helmholtz-Zentrum Berlin für Materialien und Energie (HZB-MX))

10:00 AM CFEL TapeDrive 2.0: Conveyor belt-based sample delivery system for multi-dimensional serial crystallography - Alessandra Henkel

10:20 AM An environmental control box for serial crystallography enables multi-dimensional experiments - Eike Schulz (Uni Hamburg)
9:00 AM - 10:40 AM
Contributions

9:00 AM Incommensurate modulated crystal structure of a lillianite homologue 4L-(Pb)4(Cu,Sb)8(Pb,Sb)8Se24 - Maxim Grauer (Universität Leipzig)

9:20 AM Analysis of the disordered crystal structure of LiBH4 by 3D-Δ-PDF - Reinhard Neder (DGK)

9:40 AM “Diffraction Spectroscopy” - Refinement of Anomalous Dispersion - Michael Bodensteiner (Universität Regensburg)

10:00 AM High brightness MetalJet x-ray source for MOFs/COFs structure determinations - Shichao Hu (Excillum) Emil Espes (Excillum)

10:20 AM NoSpherA2 – New possibilities, developments, and challenges - Florian Kleemiss
9:00 AM - 10:40 AM
Contributions

9:00 AM Ultra-fast multi-wavelength pyrometer for high temperature measurements - Roman Belikov (Goethe-Universität Frankfurt am Main)

9:20 AM Elucidating the local structure of carbon nitride materials using electron energy-filtered radial distribution function analysis - Diana Piankova (Max Planck Institute of Colloids and Interfaces)

9:40 AM Neural network-based analysis of high-resolution transmission electron microscopy images of ultrasmall metallic nanoparticles - Nina Gumbiowski

10:00 AM On the Cutting Edge of Electron Diffraction Quality - Eric Hovestreydt (ELDICO Scientific AG)
11:00 AM M. Reischl
M. Reischl
11:00 AM - 12:00 PM
Contributions

11:00 AM Methods and Prospects of Machine Learning applied to Challenges in Crystallography - Markus Reischl
12:00 PM Handling twinned samples never was easier - Learn how to handle twins using APEX4
Handling twinned samples never was easier - Learn how to handle twins using APEX4
12:00 PM - 1:00 PM
1:00 PM N. Shustova
N. Shustova
1:00 PM - 2:00 PM
Contributions

1:00 PM Metal-Organic and Covalent-Organic Frameworks (MOFs and COFs): from Single Crystals to Novel Functional Materials - Natalia Shustova
2:20 PM
2:20 PM - 4:00 PM
Contributions

2:20 PM Sensitivity of thermal diffuse scattering to correlated disorder - Ella Mara Schmidt

2:40 PM Recognition of ferroelastic domains in high-resolution X-ray diffraction patterns - Semën Gorfman (Department of Materials Science and Engineering, Tel Aviv University, Israel)

3:00 PM Molecular signatures in the 3D-Δ-PDF - Reinhard Neder (DGK)

3:20 PM Diffraction Methods for MOF investigations - Jakub Wojciechowski (Rigaku)
2:20 PM - 4:00 PM
Contributions

2:20 PM Fragment screening by crystallography – efficient workflow for MX users at BESSY II - Jan Wollenhaupt (Helmholtz-Zentrum Berlin)

2:40 PM Every crystal matters - Holger von Moeller (MOLOX GmbH)

3:00 PM The crystal structure of AMP deaminase as starting point for the design of new herbicides - Jörg Freigang

3:20 PM Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162 - Roman Hillig

3:40 PM ALLOSTERIC REGULATION OF GTP CYCLOHYDROLASE I - Herbert Nar
2:20 PM - 4:00 PM
Contributions

2:20 PM LTP I: Ordered and disordered binary beryllium pnictides: between Zintl polyanions and Grimm-Sommerfeld compounds - Alexander Feige (Institute for Mineralogy, Crystallography and Materials Science, Leipzig University, Germany)

2:33 PM LTP II: POWTEX: Data Reduction, Event Correlation and Machine Learning - Noah Nachtigall (Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, Germany)

2:46 PM LTP III: Detection of ice-crystal artifacts in macromolecular diffraction data through machine learning - Kristopher Nolte (Institut für Nanostruktur und Festkörperphysik, Universität Hamburg, Germany)

2:59 PM Hydrogen shift in electrostatic potential maps from 3D ED experiments - Paul Benjamin Klar

3:04 PM Influence of the Co to Mo molar ratio on active phase formation of ammonia synthesis catalysts: in-situ XRPD analysis - Paweł Adamski (West Pomeranian University of Technology in Szczecin)

3:09 PM Topochemical conversion of layered tungstates: an in-situ Raman spectroscopy and total scattering study - Niels Lefeld (University of Bremen, Institute of Inorganic Chemistry and Crystallography, Bremen, Germany)

3:14 PM XRPD and TEM as tools to determine crystallite size of nanocrystalline iron - Aleksander Albrecht (West Pomeranian University of Technology in Szczecin)

3:19 PM Anion size dependence of band gaps of iodido antimonates - Jakob Möbs

3:24 PM Crystal structures of host-guest complexes of carboxylated pillar[5]arene with drugs - Helena Butkiewicz (Institute of Physical Chemistry Polish Academy of Sciences)

3:29 PM Elucidation of Barocaloric Effect in Spin Crossover Compounds - Hend Shahed (FZj)

3:34 PM Probing Possible Non-Covalent Interactions on a Hexacationic Ag(I)-Pillarplex-Dodecyldiammonium Pseudo-Rotaxane as Terephthalate Salt - Alexandra Heidecker

3:39 PM Finite and Infinite Chains of Heavy-Atom Clusters - Maria Annette Herz (Technische Universität Dresden)

3:44 PM A Periodic Density Source for a Periodic System: Using PAW-DFT for Hirshfeld Atom Refinement - Paul Niklas Ruth (Institute of Inorganic Chemistry, University of Göttingen )

3:49 PM Synthesis of Polycrystalline Mixed System Rb3-xKxCu3AlO2(SO4)4 - Clemens Scheiblich (LMU)

3:54 PM Mechanically plastic molecular crystals for shapeable optic waveguide - Torvid Feiler (Bundesanstalt für Materialforschung und -prüfung (BAM))
2:20 PM - 4:00 PM
Contributions

2:20 PM Mullite-type materials: Introducing a new structure-type for the design of high-entropy oxides - Andrea Kirsch (University of Copenhagen, Department of Chemistry, Nanostructure group, Copenhagen, Denmark)

2:40 PM SFCA-I-type solid solutions in the system CaO-Fe2O3-FeO-Al2O3 – structural investigations on an iron-ore sintering phase - Volker Kahlenberg (DGK)

3:00 PM Influence of water on the high-pressure behavior of silica glass - Markus Herrmann (University of Cologne, Institute of Geology and Mineralogy)

3:20 PM Determination of the crystal structure of magnesium stearate hydrate using micrometre size single crystals - Toms Rekis (University of Copenhagen)

3:40 PM Structure of UO2 at low temperatures - Nikolas Kraft
4:15 PM I
I
4:15 PM - 6:15 PM
Contributions

4:15 PM Cation order determination in kesterite‐type quaternary semiconductors by Multiple Edge Anomalous Diffraction (MEAD) - Daniel Többens (Helmholtz-Zentrum Berlin für Materialien und Energie (HZB))

4:16 PM Elastic properties of dolomite-ankerite solid solutions - Lea Pennacchioni (Goethe University)

4:17 PM Negative thermal expansion, thermodynamic properties and temperature dependent Raman scattering of a new metal-organic perovskite framework [C(NH$_2$)$_3$][Ca(HCOO)$_3$] - Eiken Haussühl

4:18 PM High-pressure crystal structures of Wadsley-type vanadium oxides V2O5 and V6O13 - Viliam Hakala (Forschungszentrum Jülich GmbH)

4:19 PM Crystal structure for new coordination polymer obtained via solvothermal synthesis in Berghof autoclave - Andrzej Kochel (University of Wrocław, Faculty of Chemistry)

4:20 PM Polymorphism in Cu20Te11Cl3 - Anna Vogel

4:21 PM Cu3SeyTe1-y: A new representative of transition metal dichalcogenides - Alfred Rabenbauer

4:22 PM The Powder Diffraction and Total Scattering Beamline P02.1 at PETRA III, DESY - Alba San Jose Mendez (DESY)

4:23 PM Developments in High Pressure Clamp Cells for Neutron Scattering at the MLZ - Andrzej Grzechnik (RWTH Aachen)

4:24 PM Squeezing the Most Data out of Your High-Pressure Experiment - Jürgen Graf (Incoatec GmbH)

4:25 PM Isolated [SiO4]4– Tetrahedra in the Chloride-Poor Oxosilicate Ce3Cl[SiO4]2 - Ralf Jules Christian Locke (IAC Universität Stuttgart)

4:26 PM Science communication as an important aspect of promoting research to the public - Melanie Kaliwoda (MSM - LMU)

4:27 PM Fine-tuning solid state luminescence properties of molecular crystals via solid solution formation - Kristaps Saršūns (University of Latvia, Faculty of Chemistry)

4:28 PM The benefits of Cu k-beta radiation for the single crystal X-ray structure determination of crystalline sponges - Florian Meurer (DGK)

4:29 PM Crystal structures of host-guest complexes of carboxylated pillar[5]arene with drugs - Helena Butkiewicz (Institute of Physical Chemistry Polish Academy of Sciences)

4:49 PM Elucidation of Barocaloric Effect in Spin Crossover Compounds - Hend Shahed (FZj)

5:09 PM Anion size dependence of band gaps of iodido antimonates - Jakob Möbs

5:29 PM Finite and Infinite Chains of Heavy-Atom Clusters - Maria Annette Herz (Technische Universität Dresden)

5:49 PM Influence of the Co to Mo molar ratio on active phase formation of ammonia synthesis catalysts: in-situ XRPD analysis - Paweł Adamski (West Pomeranian University of Technology in Szczecin)

5:55 PM Topochemical conversion of layered tungstates: an in-situ Raman spectroscopy and total scattering study - Niels Lefeld (University of Bremen, Institute of Inorganic Chemistry and Crystallography, Bremen, Germany)

5:55 PM Real-time investigation of Lysozyme crystallization kinetics: a neutron diffraction study - Tobias Schrader

6:09 PM Perylene-based metal-organic frameworks for photochemical applications - Simon Deger (TU München)

6:14 PM Engineered crystals as a Racemate-to-Homochiral approach: chirality manipulation towards chiral resolution and the design of novel solid forms. - Paulo De Sousa Carvalho Júnior (Max Planck für Kohlenforschung)

6:14 PM Halogenide-sodalites: Thermal expansion, decomposition and the Lindemann criterion - Marius Wolpmann (Chemische Kristallographie fester Stoffe, Universität Bremen, Germany)

6:14 PM Review of symmetry and structure relationships of the stage-I graphite intercalation compounds (GICs) structure family - Stefan Seidlmayer

6:14 PM Influence of Si on Hydrogen adsorption in SMoSe Janus host layer - Muthu Vallinayagam (TU Bergakademie Freiberg)

6:14 PM Quantum crystallographic evaluation of the YLID crystal structure; reconsidering data quality - Yaser Balmohammadi

6:14 PM Structure prediction and behavior of (un)known materials in extreme conditions - Dejan Zagorac

6:14 PM Structure prediction using global optimization and data mining in new Ce-O-N compounds - Jelena Zagorac (INN Vinca, Belgrade, Serbia)

6:14 PM Evaluation of surrogate-models for the incorporation of tetravalent actinides in monazite phases - Theresa Lender

6:14 PM A49Tl108 (A = K, Rb), Beispiele für ternäre Trielide des K49Tl108-Strukturtyps - Bernard Lehmann

6:14 PM High-Pressure Synthesis of Intermetallic Framework Compounds RESi3 - Teuta Neziraj

6:14 PM A rare phenomenon inversion in mullite-type RAlGeO5 for R = Y, Sm – Lu - Kowsik Ghosh (Uni Bremen)

6:14 PM Synthesis and characterization of indium-containing sillenite - Md. Imran Hossain (Uni Bremen)

6:14 PM Neue intermetallische Phasen der Systeme Ba--Mg--Zn und Ba--Mg--Cd - Caroline Röhr (Universität Freiburg)

6:14 PM Spectroscopic and structural characterization of molecular organic frameworks for heterogeneous catalysis - Isabella Kappel

6:14 PM Rb4CuSb2Br12: A new vacancy-ordered quadruple perovskite - Michael Daub

6:14 PM Expansion of the hydride chemistry – new materials based on mixed anionic hydrides - Alexander Mutschke

6:14 PM From binary to ternary amalgams: expanding the structural variety of the Gd<sub>14</sub>Ag<sub>51</sub> structure family - Timotheus Hohl (LMU München)

6:14 PM Pseudosymmetry in Cesium Orthotantalate(V) - Irina Zaytseva (LMU München)

6:14 PM Hundreds of starting points to develop protein-protein interaction modulators - Tatjana Barthel (Helmholtz-Zentrum Berlin)

6:14 PM Ultrasmall covalently functionalized gold nanoparticles for protein targeting - Kai Klein

6:14 PM Uncovering novel drug targets of polyprotein precursors of SARS-CoV2 - Gian Luca Freiherr von Scholley
6:15 PM A. Kovalevsky
A. Kovalevsky
6:15 PM - 7:15 PM
Contributions

6:15 PM Neutron crystallography to inform drug design targeting SARS-CoV-2 main protease - Andrey Kovalevsky (Oak Ridge National Laboratory)
Wednesday, March 16, 2022
9:00 AM
9:00 AM - 10:40 AM
Contributions

9:00 AM Structural characterization and mechanism for crystal desolvation induced by polymer-assisted grinding - Maxwell Terban

9:20 AM Evolution of Dislocations in GaAs Wafers Investigated by Means of X-ray Diffraction Imaging - Merve Kabukcuoglu (Ms)

9:40 AM Lab-based correlative X-ray imaging to study core formation and its impact on lattice uniformity in (Mg,Zr):SrGa12O19 single crystals - Carsten Richter (Leibniz Institut für Kristallzüchtung)

10:00 AM Solid form screening of pharmaceutical compounds enhanced by Electron Diffraction experiments - Danny Stam (ELDICO Scientific AG)

10:20 AM Crystal structure variations and opto-electronic properties in alkali doped kesterite-type semiconductors - Henrik Prell (Tu berlin, HZB)
9:00 AM - 10:40 AM
Contributions

9:00 AM Elasticity of dense metal-organic framework compounds - Julia Büscher (J.W. Goethe University Frankfurt)

9:20 AM Experimental study of mixed system Cs3Cu3Cl8-xBrxOH with weakly connected Cu-triangles - Natalija van Well (Ludwig-Maximilians-Universität München, Department for Earth- and Environmental Sciences, Section for Crystallography)

9:40 AM The Evolution of Perovskite Complexity - Gregor Kieslich (Technical University of Munich)

10:00 AM Impact of Swift Heavy Ion Irradiation on Bismuth Nanowires and its Phase Transitions - Christopher Schröck (Goethe Universität Frankfurt, GSI Helmholtzzentrum für Schwerionenforschung GmbH)
9:00 AM - 10:40 AM
Contributions

9:00 AM The order-disorder (OD) structures of Rb2Zn(TeO3)(CO3)∙H2O and Na2Zn2Te4O11 - Felix Eder

9:20 AM Structural diversity of carbonates containing CO4 groups - Lkhamsuren Bayarjargal (Goethe University Frankfurt am Main)

9:40 AM Novel Sr-carbonates synthesized at moderate pressures and temperatures - Dominik Spahr

10:00 AM (Mixed) Alkali Metal Thallides A:Tl 1:2 (A=K-Cs) - Stefanie Gärtner

10:20 AM Pendant-phosphino Amides: A novel ligand class displaying diverse bonding capabilities - Terrance Hadlington (TU München)
9:00 AM - 10:40 AM
Contributions

9:00 AM Insight into TSC protein complex function in the regulation of cell growth from structural biology - Daniel Kümmel

9:20 AM Direct interaction of a chaperone-bound type three secretion substrate with the export gate - Dominic Gilzer

9:40 AM Structural biology of type VII secretion machines - Sebastian Geibel

10:00 AM Crystal structure and function of the CRISPR-Lon protease - Gregor Hagelueken (University of Bonn)

10:20 AM The bacterial transcriptional regulator RutR is controlled by lysine acetylation. - Michael Lammers (new member)
11:00 AM T. Kimura
T. Kimura
11:00 AM - 12:00 PM
Contributions

11:00 AM Symmetry breakings and resulting magnetic, electric, and optical properties in ferroic materials - Tsuyoshi Kimura (University of Tokyo)
12:00 PM
12:00 PM - 1:30 PM
Contributions

12:00 PM CrysAlisPro version 42: Synergy, AutoChem5.0, Robotics, MicroED/3DED, user inspired improvements - Mathias Meyer (Rigaku Oxford Diffraction)

12:45 PM Synergy-ED: A new electron diffractometer for 3DED - Fraser White (Rigaku Corporation)
12:45 PM

12:45 PM - 1:30 PM
1:30 PM L. Granasy
L. Granasy
1:30 PM - 2:30 PM
Contributions

1:30 PM Phase-field modeling of complex polycrystalline structures - László Gránásy (Wigner Research Centre for Physics, Budapest, Hungary)
2:50 PM
2:50 PM - 4:30 PM
Contributions

2:50 PM EIGER2 CdTe - Hybrid Photon Counting for a wide range of X-ray energies - Marcus Müller (DECTRIS Ltd.)

3:10 PM Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED - Christian Schürmann (Rigaku Europe SE / Rigaku Corporation)

3:30 PM The latest X-ray analysis solutions from Anton Paar - Andrew Jones (Anton Paar GmbH, Graz, Austria )

3:50 PM Capabilities and advanced applications of STOE x-ray diffractometers - Tom Faske (STOE & Cie GmbH, Darmstadt, Germany)

4:10 PM General Practices by Using Small Scale Parallel Crystallizers for Growing Quality Single Crystals - Dan George Dumitrescu
2:50 PM - 4:30 PM
Contributions

2:50 PM The High-Throughput Macromolecular Crystallography Beamline P11 - Johanna Hakanpää (Deutsches Elektronen-Synchrotron DESY)

3:10 PM MicroMAX – A flexible macromolecular crystallography beamline at MAX IV with applications in serial and time-resolved crystallography - Thomas Ursby (MAX IV Laboratory, Lund University)

3:30 PM The upgrade of ID29 in a Serial Macromolecular Crystallography Beamlines for Time-resolved experiments - Daniele de Sanctis (ESRF - The European Synchrotron)

3:50 PM Facilities for Macromolecular Crystallography at the HZB - Manfred Weiss (Helmholtz-Zentrum Berlin)

4:10 PM HiPhaX – A fully automated High-Throughput Pharmaceutical X-ray screening endstation at the PETRA-III synchrotron in Hamburg - Alke Meents (DGK)
2:50 PM - 4:30 PM
Contributions

2:50 PM Rim-functionalized Pillarplexes: Shape-Adaptive Metallocavitands via Modification of Macrocyclic NHC Ligands - Alexander Pöthig

3:10 PM Lattice modification and morphological control of halide substituted yqt-type zeolitic imidazolate frameworks Zn3mim5X, with X = Br, Cl, F or OH - Sebastian Bette (Max Planck Institute for Solid State Research)

3:30 PM Microstructure of LaMO3 perovskites (M=Ni,Co,Fe) - Simone Gallus

3:50 PM Influence of radiation damage on the crystal structure of monazite - Julien Marquardt (Goethe Universität Frankfurt)

4:10 PM In-situ recrystallization of elastically bendable cocrystals of caffeine post partial desolvation - Somnath Dey (Institute of Crystallography, RWTH Aachen University, Germany)
2:50 PM - 4:30 PM
Contributions

2:50 PM Noble X-rays: choosing the correct X-ray wavelength for the best single-crystal structures - Martin Adam (Bruker)

3:10 PM A new home for three versatile powder diffractometers - the optimized thermal beamport SR8 at the research neutron source Heinz Maier-Leibnitz (FRM II) - Christoph Hauf (1Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRM II))

3:30 PM Linking Diffraction Techniques with XRF and XAS Spectroscopy at the German CRG Beamline ROBL / ESRF - Christoph Hennig (Helmholtz-Zentrum Dresden-Rossendorf, Rossendorf Beamline at ESRF)

3:50 PM Operando diffraction studies of mechanocatalytic reactions: challenges, technical developments and scientific insights - Claudia Weidenthaler (Max-Planck-Institut für Kohlenforschung)

4:10 PM Quantum cascade laser-based infrared spectrometer combined with small angle neutron scattering for life science applications. - Seyed Mohammad Mahdi Dadfar
4:45 PM II
II
4:45 PM - 6:45 PM
Contributions

4:45 PM The In-Situ GIXS Heuristic Tool for Efficient Reduction of 2D Grazing-Incidence Data - Lennart Reb (TUM E13)

4:46 PM The latest X-ray analysis solutions from Anton Paar - Andrew Jones (Anton Paar GmbH)

4:47 PM Advances in the Parameter Space Concept for Crystal Structure Determination – a maximum resolution study - Matthias Zschornak (TU Bergakademie Freiberg, IEP)

4:48 PM The Macromolecular Neutron Single Crystal Diffractometer BIODIFF for Proteins at the Heinz Maier-Leibnitz Zentrum - Andreas Ostermann (Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München)

4:49 PM Solid solution of lamellar metal-metal hydroxi salts with varying interlayer anions borate, chloride and sulfate containing different water contents - Herbert Pöllmann (Universität Halle)

4:50 PM Synthesis and phase analysis of the polycrystalline K3Cu3AlO2(SO4)4 - Niclas Reitberger

4:51 PM Element replacement in Mo2Ga2C via molten salt synthesis - Catherine Fabienne Schweinle

4:52 PM Synthesis of Polycrystalline Mixed System Rb3-xKxCu3AlO2(SO4)4 - Clemens Scheiblich (LMU)

5:12 PM In situ GIWAXS analysis of MAPbI3 formation using the software tool INSIGHT - Manuel Reus (TUM E13)

5:13 PM Lithium and electrolyte distribution in fresh and aged 18650-type lithium-ion batteries - Dominik Petz

5:14 PM Effects of soft mechanochemical synthesis in MAPbCl3 powders - Götz Schuck (Helmholtz-Zentrum Berlin für Materialien und Energie GmbH)

5:15 PM Probing Possible Non-Covalent Interactions on a Hexacationic Ag(I)-Pillarplex-Dodecyldiammonium Pseudo-Rotaxane as Terephthalate Salt - Alexandra Heidecker

5:36 PM A Periodic Density Source for a Periodic System: Using PAW-DFT for Hirshfeld Atom Refinement - Paul Niklas Ruth (Institute of Inorganic Chemistry, University of Göttingen )

5:56 PM Mechanically plastic molecular crystals for shapeable optic waveguide - Torvid Feiler (Bundesanstalt für Materialforschung und -prüfung (BAM))

6:16 PM Hydrogen shift in electrostatic potential maps from 3D ED experiments - Paul Benjamin Klar

6:25 PM XRPD and TEM as tools to determine crystallite size of nanocrystalline iron - Aleksander Albrecht (West Pomeranian University of Technology in Szczecin)

6:44 PM Crystal structure for new coordination polymer obtained via solvothermal synthesis in Berghof autoclave - Andrzej Kochel (University of Wrocław, Faculty of Chemistry)

6:44 PM Anisotropic magnetoresistance and Magnetic properties of epilayers-perovskite LBMTO - Marwène OUMEZZINE (University of Monastir)

6:44 PM Structural behavior of delithiated LixNi0,8Co0,15Al0,05O2 (0<x<1) battery cathodes - Tobias Hölderle

6:44 PM Stimulated Raman scattering in potassium nitrate, alpha-KNO3 - Petra Becker-Bohatý

6:44 PM Magnetic phase diagram in rare-earth orthoferrite HoFeO3 from single crystal neutron diffraction in external magnetic field. - Aleksandr Ovsianikov

6:44 PM Structure relations in the family of the solid solution Hf_xZr_{1-x}O_2 - Melanie Nentwich (DGK)

6:44 PM Towards a mechanistic understanding of the 2PI-2PI photo-addition of cinnamic acid compounds - Felix Justus Stammler Tobias Schrader

6:44 PM Electronic structure of the homologous series of Ruddlesden-Popper phases SrO(SrTiO3)𝑛, (𝑛= 0 - 3, ∞) - Christian Ludt

6:44 PM Role of lithium diffusion on thermal expansion of Li0.4WO3 bronze studied by neutron elastic and quasi-elastic scatterings - M. Mangir Murshed (Uni bremen)

6:44 PM On the architecture of multicore iron oxide nanoparticles - Stefan Neumann

6:44 PM Tuning the structural and magnetic properties of iron oxide nanoparticles - Xiao Sun

6:44 PM Structural characterization of the solid solution Cu$_{2}$Mn(Ge$_{x}$Sn$_{1-x}$)S$_{4}$ - David Matzdorff (Helmholtz-Zentrum Berlin (HZB))

6:44 PM Charge-Density Analysis of a disordered Aluminium Dihydrite Complex - Christian Köhler (Georg-August-Universität Göttingen)

6:44 PM Characterization of the Delafossite solid solution series NaYb1–xLuxS2 - Ellen Häußler (Technische Universität Dresden)

6:44 PM Characterization of the formation of single-phase precious metal high entropy alloys by in situ diffraction - Lena Marie Wedek

6:44 PM Copper(I)-Based Pillarplexes: Platforms for Supramolecular Assemblies with Intrinsic Reactivity - Thomas Pickl

6:44 PM Na7RbTl4: New Ternary Alkali Metal Thallide including Tl4(8-) tetrahedra - Vanessa Schwinghammer

6:44 PM Electron density studies on a Cobalt Single-Molecule Magnet - Katharina Rachuy (University of Göttingen)

6:44 PM Zur Systematik der Strukturchemie von Dimetallaten A6[M 2Q6] mit Tetraederdimeren; Eine Vervollständigung der Dialuminate A6[Al2 Q6 ] (A=K, Rb, Cs; Q=S, Se, Te) - Michael Schwarz

6:44 PM Sm7F12Cl2: Synthesis and Crystal Structure of a New Fluoride-Rich Samarium(II) Fluoride Chloride - Constantin Buyer (University of Stuttgart, Institute for Inorganic Chemistry)

6:44 PM Synthesis and characterization of mullite-type NdMnTiO5: Structural, spectroscopic, thermal and magnetic properties analyses - Kowsik Ghosh (Uni Bremen)

6:44 PM Electrostatic self-assembly of p-sulfonatocalix[4]arene and pillar[n]pyridiniums into organic crystals - Kateryna Kravets (Institute of Physical Chemistry PAS)

6:44 PM Closing Some Gaps of Knowledge: Single Crystals of Pr2O[SiO4] und Sm2O[SiO4] with the A-Type Structure - Patrik Djendjur

6:44 PM SmBi2O4Cl: The First Single-Crystal Study in the Systems LnBi2O4X - Melanie Kurz (IAC Stuttgart)

6:44 PM Effect of iron substitution by nickel on crystal structures, optical, and magnetic properties in double perovskite series Sr2Fe1-xNixTeO6 with x = 0, 0.25, 050, 0.75, and 1 - Asmaa Zaraq (University of Bremen)

6:44 PM Structural and spectroscopic properties of SnMBO4 (M = Al, Ga) - Sarah Wittmann (Uni Bremen)

6:44 PM Crystallized Pb(II)- and Sn(II)-ammine complexes as intermediates from the interaction of CH3NH2 with BX2 and CH3NH3BX3 (B = Pb, Sn; X = I, Br, Cl) - Michael Krummer

6:44 PM New Hybrid Halogenobismuthates as Candidates for Non-linear Optical Properties - Kevin Eble (Albert-Ludwigs-Universität Freiburg)

6:44 PM Controlling the bonding situation of tetryliumylidenes with Ni(0) centers by denticity of the ligand scaffold - Philip Keil

6:44 PM The crystal structure of single crystalline PrCa4O[BO3]3 - Tina Weigel

6:44 PM A newly crystallized structure of human formylglycine-generating enzyme - Julia L. Kowal
6:45 PM Social Evening
Social Evening
6:45 PM - 7:45 PM
Thursday, March 17, 2022
9:00 AM
9:00 AM - 10:40 AM
Contributions

9:00 AM Magnetic spin dynamics in Mn-hureaulite - SoHyun Park (LMU)

9:20 AM Potential new vortex phase in antiferromagnetic incommensurate magnet Ba₂CuGe₂O₇ - Michał Dembski-Villalta (Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München, D-85748 Garching, Germany)

9:40 AM Characterization and magnetic study of new oleic acid-coated Gd-Sm-Er-doped Co-Nanoferrite CoFe1,6Er0,6Gd0,6Sm0,1O4 - Oussama Oulhakem (Thin Film Photovoltaic laboratory, electric and photovoltaic department, institute for solar green energy park (UM6P/IRESEN))

10:00 AM Current-induced self-organisation of mixed superconducting states - Xaver Simon Brems (Heinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München)

10:20 AM Incommensurately modulated structure and phase transitions in K4CaSi6O15 - Hang Liu (University of Innsbruck)
9:00 AM - 10:40 AM
Contributions

9:00 AM Influence of polytype formation and Al and Si ordering on the crystal structure in β-Al4.5FeSi - Hanka Becker

9:20 AM Role of intermediate amorphous phases in CeO2 mesocrystal formation - Nadezda Tarakina (Max Planck Institute of Colloids and Interfaces)

9:40 AM Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO4 - Gwilherm NÉNERT (Malvern Panalytical)

10:00 AM Assigning the absolute configuration of liquid chiral molecules by capillary crystallization - Nils Nöthling

10:20 AM Pyrochlore: Radiation-damage and thermally induced structural reorganization - Tobias Beirau
9:00 AM - 10:40 AM
Contributions

9:00 AM Synthesis and characterization of faceted bimetallic nanoparticles - Aikaterini Karatzia (University of Duisburg-Essen)

9:20 AM Double-differential pair distribution function analysis to study hydration shells around iron oxide nanoparticles - Sabrina Thomä

9:40 AM Synthesis, Structure, and Properties of Bimetallic Nanoparticles of Noble Metals - Kateryna Loza

10:00 AM Self-organization of nanoparticles into highly ordered lattices with protein nanocages as an atomically precise ligand shell - Tobias Beck

10:20 AM Enhanced electrochemical dissolution of Ag nanoparticles in the presence of Pt nanoparticles - Oleg Prymak (University of Duisburg-Essen)
9:00 AM - 10:40 AM
Contributions

9:00 AM Using AlphaFold to understand multi-domain proteins from SARS-CoV-2 - Maximilian Edich (Institut für Nanostruktur und Festkörperphysik)

9:20 AM Inhibitor screening and structural characterization of virulence factors from SARS-CoV-2 - Spyros Chatziefthymiou (Photon Science, DESY)

9:40 AM The SARS-CoV-2 main protease as a target for antivirals: Crystal structures, new inhibitors, and mutants - Rolf Hilgenfeld

10:20 AM Characterization of protein family wide chemical probe and chemogenomics sets by structure based hit finding and development - Stefan Knapp (University of Frankfurt)
11:00 AM Bruno Canard
Bruno Canard
11:00 AM - 12:00 PM
Contributions

11:00 AM Kill or corrupt: the mode of action of nucleotide analogues against SARS-CoV2 - Bruno Canard (Laboratoire AFMB, CNRS et Aix-Mareille Université, France)
12:00 PM

12:00 PM - 12:45 PM

1:45 PM

1:45 PM - 3:15 PM