XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
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: 28th Apr 2024, 02:22:55pm CEST
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Session Overview |
| Session | ||
MS-27: New trends in pharmaceutical materials
Invited: Tonglei Li (USA), Doris Braun (Austria) | ||
| Session Abstract | ||
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For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below. | ||
| Introduction | ||
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2:45pm - 2:50pm
ID: 1756 / MS-27: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 846 / MS-27: 2 Materials and minerals Invited lecture to session MS: New trends in pharmaceutical materials Keywords: hydrate; sulphate salts; brucine; strychnine; moisture (de)sorption; stability Troublesome hydrates of alkaloids University of Innsbruck, Innsbruck, Austria External Resource:
 3:20pm - 3:50pm
ID: 1573 / MS-27: 3 All topics Invited lecture to session MS: New trends in pharmaceutical materials Keywords: concomitant polymorphism; solvent-mediated phase transition; population balance modeling Kinetic Retraction at the Onset of Concomitant Crystallization Purdue University, West Lafayette, United States of America External Resource:
3:50pm - 4:10pm
ID: 842 / MS-27: 4 Chemical crystallography, crystal structures Oral/poster MS: New trends in pharmaceutical materials Keywords: Pharmaceuticals, digital design, particle properties, structure property relationships “Particle Informatics”: Evolving methods for understanding particle properties Cambridge Crystallographic Data Centre, Cambridge, United Kingdom External Resource:
4:10pm - 4:30pm
ID: 930 / MS-27: 5 All topics Oral/poster MS: Crystal structure prediction, Polymorphism and structural transformation of organic crystals from synthesis to characterization, New trends in pharmaceutical materials Keywords: crystal structure prediction, property prediction, aqueous solubility, pharmaceuticals, free energy perturbation A Novel Physics-based Ensemble Modeling Approach that Utilizes Crystal Packing to Predict Aqueous Thermodynamic Solubility Solid-State Chemistry, Abbvie, North Chicago, United States of America External Resource:
4:30pm - 4:50pm
ID: 822 / MS-27: 6 All topics Oral/poster MS: Structure guided drug design and antibiotic resistance targets, Solid state reactions and dynamics, New trends in pharmaceutical materials, Data-driven discovery in crystallography Posters only: Physical and fundamental crystallography (if it does not fit to any specific topics), Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: : Interoperability; radiopharmaceutical drug development; catalysis; rhenium cluster formation The harvesting of small molecule structure and dynamic data for macromolecular and catalytic usage. University of the Free State, Bloemfontein, South Africa External Resource:
4:50pm - 5:10pm
ID: 1113 / MS-27: 7 Chemical crystallography, crystal structures Oral/poster MS: Stimuli-responsive crystalline compounds, New trends in pharmaceutical materials, Crystal structures of pharmaceutical and organic compounds from electron diffraction Keywords: absolute structure, absolute configuration, chirality, 3D electron diffraction, MicroED Absolute configuration directly determined from 3D electron diffraction data 1Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic; 2Institute of Inorganic Chemistry, Leibniz University Hannover, Hannover, Germany External Resource:
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