Programme

FOCUS AREA 1 – BIOLOGICAL AND MACROMOLECULAR CRYSTALLOGRAPHY

• MS01- Micro & nano crystals in MX [+]

  Chairs:
  + Dr. Helen Ginn (Diamond Light Source Ltd., United Kingdom)
  + Dr. Thomas White (Deutsches Elektronen-Synchrotron DESY, Germany)
  

  Micro- and nanocrystals are increasingly important in (not only) macromolecular crystallography. This MS covers preparation, manipulation, special technologies for dealing with nanocrystals, data collection techniques, time resolved studies, serial nanocrystallography as well as use of nanocrystals for electron diffraction.
• MS02- From data collection to structure finalization: getting the most from your crystal [+]

  Chairs:
  + Dr. William Shepard (Synchrotron SOLEIL, France)
  + Dr. Katherine McAuley (Diamond Light Source, United Kingdom)
  

  New aspects as well as overview contributions with focus on “getting the most from your crystal” and data quality are expected, covering data collection to structure determination/refinement and validation. An educational impact is expected.
• MS03- Combining methods in macromolecular structure determination, including special conditions MX [+]

  Chairs:
  + Dr. Martin Walsh (Diamond Light Source, United Kingdom)
  + Dr. Victor Lamzin (European Molecular Biology Laboratory, Germany)
  

  Recently, more methods together with MX are used to address a biological problem, e.g. SAXS, EM, working with in-situ spectroscopy, special long wavelength data collection and other. Contributions in this MS are expected to cover combinations of such methods or applications of newly established approaches that can be combined with crystallographic approaches.
• MS04- Biophysical characterization and crystallization [+]

  Chairs:
  + Prof. Andrzej M. Brzozowski (The University of York, United Kingdom)
  + Dr. Pavlina Rezacova (Institute of Organic Chemistry and Biochemistry, Czech Academy od Sciences, Czech Republic)
  

  Crystallisation of biological molecules remains a bottleneck in the structure determination process using crystallography. Sample characterisation through biophysical methods can help to streamline the crystallisation process. Also new developments in bio-crystallisation methods and combinations of biophysical sample characterisation with crystallisation protocols are covered.
• MS05- Structural information in drug design [+]

  Chairs:
  + Dr. Rob van Montford (The Institute of Cancer Research, United Kingdom)
  + Prof. Andreas Heine (Philipps University Marburg, Germany)
  

  Development of new lead-compounds for future medicines is an important field in which structural information on the target proteins is used. New developments in this field will be presented.
• MS06- Molecular machines and big complexes [+]

  Chairs:
  + Prof. Guillermo Montoya (Novo Nordisk Foundation Center for Protein Research. Faculty of Health and Medical Sciences, University of Copenhagen, Denmark)
  + Prof. Kristina Djinovic Carugo (University of Vienna, Austria)
  

  Results from MX on molecular machines and big complexes. Often these are very important for cell functions in division, cellular structure, membrane transport and more.
• MS07- Nucleic acids and interactions with proteins [+]

  Chairs:
  + Prof. Ralf Ficner (University Goettingen, Germany)
  + Prof. Markus Wahl (Freie Universität Berlin, Germany)
  

  Interactions of proteins with RNA and/or DNA are important for cell maintenance, division, cell-cycle, differentiation etc. Any contributions covering the topic of structural analysis of nucleic acids and their interactions with proteins are expected.
• MS08- Membranes and membrane interacting proteins [+]

  Chairs:
  + Prof. Susanna Törnroth-Horsefield (Lund University, Sweden)
  + Prof. Adrian Goldman (University of Helsinki/University of Leeds , United Kingdom)
  

  Structure determination of membrane proteins still lags behind that of soluble proteins. This is an important group of proteins and recent results will be presented.
• MS09- Enzymology [+]

  Chairs:
  + Prof. Leila Lo Leggio (University of Copenhagen, Denmark)
  + Dr. Dusan Turk (Jozef Stefan Institute, Slovenia)
  

  Enzymes remain a classical group of proteins. Knowledge on catalysis can lead to greener chemistry, new drug targets, new biomarkers or new technologies related to health and food.
• MS10- Hydrogen-bonding & weak interactions studied by neutrons and X-rays [+]

  Chairs:
  + Prof. Marta E. G. Mosquera (University of Alcala, Spain)
  + Dr. Matthew Blakeley (Large-Scale Structures Group, Institut Laue-Langevin, France)
  

  Hydrogen bonding remains the most reported weak interaction, but important questions about the nature of the hydrogen bond remain unanswered. The increasing number of structures reported using neutron diffraction provide new insights which complement well those reported using X-ray diffraction. Protons and hydrogen bonding are essential for both catalysis and recognition. High precision knowledge on hydrogen position is still difficult to obtain. Latest results within this field will be presented.
• MS11- Hot structures in biology [+]

  Chairs:
  + Prof. Maria Joao Romao (FCT- NOVA University of Lisbon, Portugal)
  + Prof. Fred Antson (University of York, United Kingdom)
  

  Biocrystallography brings large amounts of important new structural data relevant not only for biology but also for general knowledge on living systems. The latest most relevant results will be presented.
• MS12- Structural bioinformatics [+]

  Chairs:
  + Claudia Lucía Millán Nebot (Institut de Biologia Molecular de Barcelona (IBMB-CSIC), Spain)
  + Dr. Daniel Rigden (Institute of Integrative Biology, University of Liverpool , United Kingdom)
  

  Bioinformatics tools deserve better exploitation by crystallographers in all structural biology projects. Bioinformatics data can be of use from crystallisation and construct design right through to structure solution and deposition. The final result of macromolecular structure solution is deposition of the atomic coordinates in a database. This is a resource rather than a graveyard, and the tools used to mine the information contained are increasingly powerful and important; these tools are available to the wider community to develop new science from old.

FOCUS AREA 2 – MATERIALS AND MINERALS

• MS13- New insights on diffraction studies of minerals and related materials [+]

  Chairs:
  + Dr. Catherine Dejoie (ESRF, France)
  + Prof. Giuseppe Cruciani (University of Ferrara, Italy)
  

  Many present and future advances of minerals and materials characterization are linked to evolution of characterization methods. This MS will be dedicated to recent advances in diffraction methods using conventional and synchrotron X-ray radiation as well as neutrons and XFEL experiments.
• MS14- Combined approaches for structure characterization of modulated and complex structures [+]

  Chairs:
  + Prof. Joke Hadermann (University of Antwerp, Belgium)
  + Dr. Phillipe Boullay (CRISMAT (Caen) - CNRS , France)
  

  The MS is dedicated to contributions about structure characterization of modulated and complex structures including minerals and related compounds, and about related analytical methodologies. Particular focus will be given to works combining different scientific approaches, such as diffraction, microscopy or spectroscopies.
• MS15- Crystallography in Earth and space [+]

  Chairs:
  + Dr. Anna Pakhomova (Deutsches Elektronen Syncrotron, Germany)
  + Prof. JuanMa García-Ruiz (LEC, CSIC, Spain)
  

  This MS is dedicated to the structural characterization of minerals and their evolution in space and also in Earth’s mantle with the ulterior motive of identifying their growth conditions, a key point to understand the story of planets and space.
• MS16- Understanding of functional materials [+]

  Chairs:
  + Dr. Oleg Siidra (Saint-Petersburg State University, Russia)
  + Dr. Claire Colin (Institut Néel, CNRS & UGA, France)
  

  Particularly, this MS focus on newly characterized functional materials, minerals and related compounds, identification of their synthesis, growth conditions and development of characterization methods to solve their complex structures. Also with the prediction, synthesis and characterization of novel complex functional materials directly inspired from minerals architectures and from their growth conditions.
• MS17- Biominerals and bioinspired materials [+]

  Chairs:
  + Prof. Wolfgang Schmahl (LMU Munich, Germany)
  + Dr. Anna Schenk (University of Bayreuth, Germany)
  

  Bioinspired materials are synthetic materials whose structure, properties or function mimic those of biominerals. The possible fields of applications are various, ranging from physics to medicine. The aim of this MS is to show how bioinspired materials may be obtained from understanding of the synthesis and self-assembly of building blocks of natural materials.
• MS18- Crystallography at high pressure and dynamically compressed matter [+]

  Chairs:
  + Dr. Damian Paliwoda (Lehigh University, United States of America)
  + Dr. Ines Collings (European Synchrotron Radiation Facility, France)
  

  More and more materials like proteins, organic compounds, functional materials, minerals, heavy fermion systems etc. are being studied with crystallographic methods specially single crystal diffraction in diamond anvil cells at low, ambient and high temperatures. Results provide an important contribution for the understanding of the physical properties of these materials. Facilities for studies of dynamically compressed matter are or will be coming available soon at synchrotron radiation facilities and XFELs. First results have been published.
• MS19- Materials on energy saving and climate sustainability [+]

  Chairs:
  + Dr. Klaudia Hradil (TU Wien, X-ray center, Austria)
  + Dr. Claudia Weidenthaler (Max-Planck-Institut für Kohlenforschung, Germany)
  

  The aim of this micro-symposium is to convene all researchers that are interested in a wide range of materials with potential applications in energy saving or climate sustainability. Among others, these materials might be used in alternative cooling technologies, energy efficient lighting devices, hydrogen (energy) storage, or in solar energy conversion. In addition, materials which allow for a reduction of emissions of greenhouse gases or are relevant for the CO2 capture are also in the focus of this micro-symposium.

FOCUS AREA 3 – PHYSICAL (INCLUDING FUNDAMENTAL) CRYSTALLOGRAPHY

• MS20- Rating and improving data quality: instrumentation, analysis and postprocessing [+]

  Chairs:
  + Dr. Karine Röwer (Crelux GmbH, Germany)
  + Dr. Loes Kroon-Batenburg (Utrecht University, Netherlands)
  

  This is symposium important for whole experimental crystallography. Any crystallographic method of analysis is dependent on the quality of collected data. Contributions starting from those focused on low and normal resolution data and finishing with that focused on the state of the art high resolution data are welcome.
• MS21- Intermolecular interactions from structural, energetic and charge density perspective(s) [+]

  Chairs:
  + Prof. Enrique Espinosa (University of Lorraine, France)
  + Prof. Ulli Englert (RWTH Aachen University, Germany)
  

  There is much discussion concerning the nature of short contacts; the aim with this microsymposium is to address this active debate, with a special focus on using charge density methods as a basis.
• MS22- Molecular structure and chemical properties: chemistry meets charge density [+]

  Chairs:
  + Dr. Vladimir Stilinovic (University of Zagreb, Croatia)
  + Dr. Jacob Overgaard (Aarhus University, Denmark)
  

  Charge density analysis, traditionally associated with understanding chemical bonding and electrostatic properties of matter can now also be used to predict properties or responses of materials.
• MS23- Advances in electron crystallography methods [+]

  Chairs:
  + Dr. Mariana Klementova (Institute of Physics of the Czech Academy of Sciences, Czech Republic)
  + Dr. Enrico Mugaioli (Istituto Italiano di Tecnologia, Italy)
  

  In the last years electron crystallography experienced a fast growth and became an actual choice for researchers interested in the structure characterization of nano-crystalline materials. The main advantages of electron crystallography are the possibility to combine imaging and diffraction data, to work with nanometric and sub-nanometric probe sizes, to get single-crystal like data from volumes of few tens of nanometers, to be more sensible to light elements. Electron diffraction tomography, phase and orientation mapping and dynamical refinement are three examples of recent advances that in a short time conquered the interest of a broad scientific community.
• MS24- Defects and disorder quantification at the nanoscale [+]

  Chairs:
  + Dr. Partha Pratim Das (NanoMEGAS SPRL, Belgium)
  + Dr. Tatiana Gorelik (University of Ulm, Germany )
  

  This joint microsymposium addresses the crystal imperfections with particular focus on nanomaterials, which can be crucial both for fundamental understanding and for applications.
• MS25- Combined approaches for the structure determination of new materials at the nanoscale [+]

  Chairs:
  + Prof. Artem Abakumov (Skolkovo Institute of Science and Technology, Russia)
  + Prof. Radovan Cerny (University of Geneva, Switzerland)
  

  The microsymposium is dedicated to contributions about structure characterization of advanced functional materials including minerals and related materials to highlight their structure-relation properties. Particular focus is given to approaches able to disclose the structure of complex materials at a nanoscopic scale and that combine different scientific approaches, among which diffraction, microscopy and spectroscopies.
• MS26- Aperiodic and modulated structures [+]

  Chairs:
  + Prof. Sven Lidin (Lund University, Sweden)
  + Prof. Alla Arakcheeva (École Polytechnique Fédérale de Lausanne (EPFL), Switzerland)
  

  All kind of contributions on the structural properties of minerals, inorganic materials, organic molecular crystals and organometallics exhibiting aperiodic order or having long period structural modulations. Modular structures, having analogous properties, are also included. It will focus on contributions showing the importance of their knowledge for the understanding the structures, and the methods for their determination.
• MS27- Quasicrystals: theory and experiment [+]

  Chairs:
  + Prof. Marc de Boissieu (CNRS, Univ. Grenoble Alpes, SIMAP, France)
  + Prof. Janusz Wolny (AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, Poland)
  

  All kind of research contributions on quasicrystals and their approximants.
• MS28- Magnetic order: methods and properties [+]

  Chairs:
  + Dr. Francoise Damay (Laboratoire Leon Brillouin, France)
  + Prof. José L. García-Muñoz (Institut de Ciència de Materials de Barcelona - CSIC, Spain)
  

  Characterization of commensurate and incommensurate magnetic structures, and their correlation with their physical properties. Research works on magnetoelectrics, multiferroics or any kind of functional magnetic materials are welcome. Studies of materials under magnetic field are also included. Special focus will be given to the most recent methodological approaches, in particular the application of superspace formalism in the study of incommensurate spin arrangements.
• MS29- Mathematical crystallography: special aspects of symmetry and other topics [+]

  Chairs:
  + Prof. Berthold Stöger (X-Ray Centre, TU Wien, Austria)
  + Prof. Bernd Souvignier (Radboud University, Netherlands)
  

  All topics related to mathematical crystallography. In particular, contributions dealing with special or problematic aspects of symmetry, unusual symmetry and asymmetry and their treatment in structure solution and analysis are welcome. Symmetry features of objects under study may help in corresponding structure solution and explain their functional mechanisms.

FOCUS AREA 4 – CHEMICAL CRYSTALLOGRAPHY

• MS30- Halogen and chalcogen bonding in the solid state [+]

  Chairs:
  + Dr. Guillermo Minguez (Instituto de Ciencia Molecular, Spain)
  + Prof. Giuseppe Resnati (NFMLab, DCMIC, Politecnico di Milano, Italy)
  

  Halogen bonding is increasingly recognised as an important structure-directing interaction. New insights into similar behaviour of chalcogen atoms as interacting atoms are also invited for this microsymposium.
• MS31- The role of supramolecular interactions in polymorphs and co-crystals [+]

  Chairs:
  + Dr. Laszlo Fabian (University of East Anglia, United Kingdom)
  + Prof. Mino R. Caira (University of Cape Town, South Africa)
  

  This field is of importance in both academic, curiosity-driven and industrial research. A survey of relevant journals indicates that interest in both polymorphism and the application of co-crystallization remains highly topical and relevant.
• MS32- Molecular recognition and crystal engineering [+]

  Chairs:
  + Dr. Berta Gómez-Lor (Instituto de Ciencia de Materiales de Madrid, Spain)
  + Prof. Delia Haynes (Stellenbosch University, South Africa)
  

  Crystal engineering has reached a mature phase with debates emerging around the role of design vs application. This microsymposium will provide the opportunity to present recent relevant results and perhaps some of the topics of debate.
• MS33- Prediction of molecular crystal structures [+]

  Chairs:
  + Dr. Jacco van de Streek (Avant-garde Materials Simulation, Germany)
  + Dr. Aurora Cruz-Cabeza (University of Manchester, United Kingdom)
  

  As computational methods grow increasingly powerful, collaboration between computational scientists and experimental crystallographers become more important. Developments, such as that of the PIXEL method, allow crystallographers to approach structures from the angle of understanding of lattice energies. Submissions on crystal structure prediction as well as those using lattice energy calculations as a tool to understand structure will be welcome.
• MS34- Exploring structural dynamics in crystals [+]

  Chairs:
  + Dr. Pance Naumov (New York University Abu Dhabi, United Arab Emirates)
  + Prof. Leonard Barbour (University of Stellenbosch, South Africa)
  

  Crystals used to be considered "chemical graveyards", but it is becoming increasingly clear that there are many dynamic processes that occur within crystals, including numerous examples of single-crystal-to-single crystal transformations. Contributions are invited to this active area of research where NMR in conjunction with solid-state crystallography is also becoming increasingly important in explaining structural dynamics in solids.
• MS35- From 0- to 3-dimensional porous systems [+]

  Chairs:
  + Dr. Felipe Gandara (Instituto de Ciencia de Materiales de Madrid - CSIC, Spain)
  + Prof. Wendy Queen (EPFL, Switzerland)
  

  Porosity has been a driving force in the explosion of the popular field of metal-organic frameworks (MOFs). This microsymposium invites submissions on MOFs as well as the relatively less-explored porous, purely organic materials such as covalent organic frameworks (COFs), hydrogen-bonded organic frameworks (HOFs) and organic cages, especially where computational design has informed experimental realisation of these materials.
• MS36- Structure and function in inorganic and coordination complexes [+]

  Chairs:
  + Dr. Attila Benyei (University of Debrecen, Hungary)
  + Prof. Alessandra Crispini (Direttore del Dipartimento di Chimica e Tecnologie Chimiche, Università della Calabria, Italy)
  

  Inorganic and coordination compounds show a variety of applications due to their multiple and intriguing properties. Their ability to recognize, activate, catalyse, transport together with their optical and magnetic properties, make them play important roles in different areas ranging from analytical chemistry to medicine, as well as from materials science to industry.
• MS37- Mechanochemistry: structure and reaction [+]

  Chairs:
  + Dr. Hamish Yeung (University of Oxford, United Kingdom)
  + Dr. Tomislav Friščić (McGill University, Canada)
  

  Mechanochemistry has developed into an important alternative route to produce topical chemical systems such as polymorphs and potentially porous materials (e.g. metal-organic frameworks) which may not be available via other synthetic routes. Much development has taken place in the in situ tracking of reactions to help explain reaction mechanisms. Submissions are invited for this exciting, evolving field of research.

FOCUS AREA 5 – EXPERIMENTAL AND COMPUTATIONAL TECHNIQUES

• MS38- X-Ray diffraction on the micro-s and ps time scale [+]

  Chairs:
  + Dr. Gergely Katona (University of Gothenburg, Sweden)
  + Dr. Ullrich Pietsch (University of Siegen, Germany)
  

  Time resolved structure analysis is a current challenge in Crystallography. Strong upcoming field, especially in view of new synchrotron possibilities and FEL: serial crystallography approaches and new types of triggers. There are several processes in solids which are probed by time resolved crystallography. The MS will focus on modern techniques and results of this challenging topic.
• MS39- The use of x-rays and neutrons for experiments in nanoscience [+]

  Chairs:
  + Dr. Rainer Timm (Lund University, Sweden)
  + Prof. Jordi Arbiol (ICREA and Institut Català de Nanociència i Nanotecnologia (ICN2), CSIC and BIST, Spain)
  

  This microsymposium will comment new experimental techniques and results to explore the structure to property relations of materials on the nano-scale. Several physical properties scale with dimension of the nano-object allowing for new applications. However, due to unavoidable fluctuation in size and phase composition detailed understanding of structure to property relations required analysis of single objects. The MS will demonstrate the new capabilities of this modern field of research.
• MS40- Crystallization for small and large molecules [+]

  Chairs:
  + Prof. Bernhard Spingler (University of Zurich, Switzerland)
  + Prof. Terese Bergfors (Uppsala University, Sweden)
  

  Bringing together the researchers involved in the crystallisation of chemical and biological molecules allows the sharing of best and most up to date practice from both research fields. Crystal growth is a core method of crystallography and new approaches from otherwise diverse areas of the field will be presented.
• MS41- Training computational method developers [+]

  Chairs:
  + Dr. Marijana Dakovic (University of Zagreb, Croatia)
  + Dr. Martin Lutz (Utrecht University, Netherlands)
  

  Differently from regular discussions, schools and workshops devoted to use of tools for structural studies, there are too few events discussing development of these tools. Even when there is a lot of software already available, without new tools our field will stagnate. There are aspects of both practical software programming and of theoretical, methodological and algorithmic developments. There is no programming intended in this MS and no hands-on exercises. Instead, it is about how new developers should be attracted, taught and trained. How does crystallographic programming occur in the curriculum of your bachelor/master/PhD programs? How shall we organize courses and schools for young crystallographic developers in crystallography, and in structural biology more generally? Which are useful tips and hints? The expected audience are (university) teachers, group leaders, and young researchers.
• MS42- New approaches to structure solution by crystallography and CryoEM: computational features and new algorithms [+]

  Chairs:
  + Prof. Isabel Usón (ICREA at SBU, IBMB-CSIC, Spain)
  + Dr. Tom Burnley (STFC, United Kingdom)
  

  Developments due to the recent advances in cryo EM enormously increase synergy of both methods. Structure determination and refinement is still a challenge at low resolution. New methods and approaches addressing both of these topics will be presented.
• MS43- Topological analysis of structures: algorithms and software [+]

  Chairs:
  + Prof. Patrick McArdle (NUI, Galway, Ireland)
  + Prof. Vladislav Blatov (SCTMS at Samara University, Russia)
  

  Based on phenomenological and/or quantum chemical analysis of intermolecular interactions new insights are obtained, especially about crystal properties. Contributions will describe new and improved algorithms and computer programs required for these studies.
• MS44- Operando and in-situ crystallographic studies using powder diffraction [+]

  Chairs:
  + Prof. Simona Galli (University of Insubria, Italy)
  + Dr. Gavin Vaughan (ESRF, France)
  

  Technical advances in instrumentation (intense X-ray beams, electron beams, high efficiency detectors, combined ancillary probes) have made powder diffraction the prime tool for structural investigations under in-situ and operando conditions in systems of interest in materials chemistry and environmental science such as battery and fuel cells, solar cells, gas separation technologies, and in related fields. This is because powder diffraction can couple flexible and complex sample environments with complementary X-ray based techniques (i.e., fluorescence or absorption/phase contrast tomography) and simultaneous ancillary probes (mass spectrometry, raman or infrared spectroscopy). Temporal and spatial resolution previously not achievable is now within reach, opening the door to the study of a huge number of solid state structural phenomena on the relevant time scale to the underlying processes.

GENERAL INTEREST MS –

• GI-MS45- Women in crystallography [+]

  Chairs:
  + Dr. Julia Contreras (CNRS-SORBONNE UNIVERSITY, France)
  + Dr. Annalisa Guerri (University of Florence - Department of Chemistry, Italy)
  

  2018 would be a quite appropriate year to review some of the most relevant contributions of "Women in Crystallography". This year, 2018, is not only the 60th anniversary of the death of Rosalind Franklin (the most famous female crystallographer for the general public), and the 30th anniversary of the first woman being awarded with the Gregori Aminoff Award in Crystallography (Isabella Karle), but also marks 115 years since the birth of Kathleen Lonsdale, who has a really impressive curriculum in crystallography, being the first female president of the IUCr...
• GI-MS46- Contributions to and of crystallography [+]

  Chairs:
  + Prof. Carlo Mealli (CNR Florence (retired), Italy)
  + Prof. Sine Larsen (University of Copenhagen, Denmark)
  

  "Presentations on the contributions of European crystallographers and on the history of crystallography in Europe."
• GI-MS47- How to… take your next steps in crystallography [+]

  Chairs:
  + Dr. Andrew Maloney (The Cambridge Crystallographic Data Centre, United Kingdom)
  + Dr. Chiara Massera (University of Parma , Italy)
  

  This session is intended to provide insight from a wide range of perspectives on where a background in crystallography can take you in your career. A selection of speakers from industry, academia and beyond will explain their career paths and describe the steps they took along the way to where they are now.
• GI-MS48- Education in crystallography [+]

  Chairs:
  + Prof. Mike Glazer (Oxford University, United Kingdom)
  + Dr. Aleksandar Višnjevac (Institut Ruđer Bošković, Croatia)
  

  This microsymposium will be dedicated to teaching and education in Crystallography: new and old tools (books, apps, websites, programs), dissemination and outreach, open labs, activities and projects for the general public, special events, etc.