FOCUS AREA 1 – BIOLOGICAL AND MACROMOLECULAR CRYSTALLOGRAPHY
MS1- Micro & nano crystals in MX [+]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.
MS4- Biophysical characterization and crystallization [+]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.
MS5- Structural information in drug design [+]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.
MS7- Nucleic acids and interactions with proteins [+]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.
MS9- Enzymology [+]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 [+]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 [+]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 [+]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.
MS15- Crystallography in Earth and space [+]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 [+]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 [+]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 [+]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 [+]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
MS23- Advances in electron crystallography methods [+]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.
MS25- Combined approaches for the structure determination of new materials at the nanoscale [+]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 [+]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.
MS28- Magnetic order: methods and properties [+]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 [+]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.
MS32- Molecular recognition and crystal engineering [+]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 [+]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 [+]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 [+]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 [+]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 [+]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 [+]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 [+]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 [+]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 [+]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.
MS44- Operando and in-situ crystallographic studies using powder diffraction [+]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 [+]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-MS47- How to… take your next steps in crystallography [+]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 [+]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.