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What HTCC Is All About
More than a century passed since the first structural studies based on the diffraction of X-rays by crystals were accomplished. Since then, the level of complexity that we are capable of examining dramatically accrued. The workshop will therefore tackle fascinating achievements in experimental methods and theoretical approaches in crystallography, expanding over the last decade, that put forward this discipline to the front lines of the structure-activity relation studies, hence to the front lines of natural sciences in general.
The attendees will learn about these new and advanced experimental methods suitable for studies of tiny structures at nano- and micro-scales and dynamics of ultrafast processes at femto- and micro-second time scales. Practical aspects of diffraction experiments at non-ambient conditions will be presented and their impact on molecular properties will be discussed. It will be demonstrated that electron density distribution is the ultimate observable for determining and interpreting the properties of matter.
The lectures will highlight the importance of combining the sophisticated diffraction experiments with complementary methods in order to determine the structures of (macro)molecules and their complexes. The most striking news is the application of X-ray free-electron lasers recording chemical reactions in situ. Now it is possible to 'see' how molecules form and decompose, or how they carry out important functions in living cells. In vivo ‘life movies’- in situ enzyme catalysis can be watched, but in vitro – chemical reaction pathway of materials, synthetic compounds, and minerals can be monitored as well.
The principal HTCC target audience are, obviously, the utterly ambitious PhD students and postdocs, but also university teachers and lecturers at higher levels, young crystallographers in the early stages of their autonomous carriers or life scientists who want to profit of the interdisciplinary approach in their research.
The three (hot) topics
entirely new opportunities in crystallography
Dynamic crystallography at atomic resolution, based on X-ray free electron laser (XFEL) and synchrotron sources is widely applied to structural biology and studies of matter.
Non-ambient crystallography (XRD) exploits the influence of four external variable parameters (pressure, temperature, atmosphere, and external stimuli) to tune the structural characteristics of the matter. These experimental conditions influence intra- and intermolecular interactions in crystals responsible for structure/property relations.
Experimental charge density studies
The entanglement of experiment and theory provide the accurate electron density mapping in crystals and provide sensible interpretation of intra- and intermolecular interactions being of importance for chemical, biochemical and materials science applications.
The topics presented will provide invaluable insight for many scientific fields such as medicine, pharmacy, chemistry, physics, materials science, nanotechnology, energy technology, and electronics.