Plenary Lectures

Omar Farha, Northwestern University
Professor of Chemistry

Nano Solutions for Global Challenges: The Promise of Metal-Organic Frameworks
Time: 11:05 a.m.

One can envision MOFs as nano-scale Tinker Toy assemblies, with metal nodes and organic linkers forming highly ordered, periodic structures. This modular design gives MOFs remarkable versatility and tunability, enabling a wide array of applications. Researchers worldwide have already explored their relevance in drug delivery, water harvesting, gas storage, chemical separations, and the destruction of toxic agents.

Significantly, the commercialization of MOFs has begun, with start-up companies driving the transition from lab-scale research to practical, real-world applications. This talk will delve into the transformative potential of metal-organic frameworks, highlighting their role as enabling materials for environmental applications. From basic scientific discovery to implementation and commercialization, MOFs are paving the way for innovative solutions to some of society’s most pressing challenges.

Doris Braun, Senior Scientist
University of Innsbruck

Tuning Cocrystallization: The Impact of Coformer Substitution on Metronidazole and Griseofulvin Cocrystals
Time: 11:45 a.m.

Cocrystallization is a widely used strategy to enhance the physicochemical properties of active pharmaceutical ingredients (APIs). However, selecting suitable coformers remains challenging due to competing molecular interactions. While computational and experimental screening methods exist, their consistency varies. This presentation examines the cocrystallization of two model pharmaceuticals, metronidazole and griseofulvin, using structurally related coformers. Virtual screening tools, molecular complementarity, multi-component hydrogen-bond propensity, and molecular electrostatic potentials, identified potential coformers but yielded inconsistent results. Crystal structure prediction (CSP) complemented experimental screening methods, which included grinding, slurry, and contact preparation, leading to novel cocrystals for both systems. CSP emerged as the most reliable predictive approach. The findings highlight the impact of coformer substituent effects and stoichiometric variability on cocrystal formation and stability. This dataset serves as a valuable benchmark for enhancing future virtual prediction tools.

Christopher Bardeen, University of California at Riverside
Professor of Chemistry

Dynamic molecular crystals: from wiggling wires to reconfigurable optics

Time: 12:20 p.m.

Crystals composed of photoreactive molecules can undergo deformations like expansion and bending. In this talk, we describe two crystal systems that exhibit dynamic behavior that can be rapidly cycled. 4-fluoro-anthracene carboxylic acid undergoes a thermally reversible [4+4] photocycloaddition reaction in the crystal, proceeding via a propagating reaction front that provides a sharp boundary between reactant and product. This coexistence of both forms within the same crystal provides an opportunity to transiently write discrete structures within a single crystal, for example reconfigurable optical elements like diffraction gratings. A photoreversible cis-trans isomerization provides a different mechanism to control dynamics. We describe the preparation and characterization of crystal microwires composed of anthracene-thiazolidinedione photochromes that undergo continuous oscillatory motions when supplied with a continuous energy input, for example a lamp or sunlight. These results show that molecular crystals provide an approach to making responsive soft matter systems that exhibit novel behaviors.