Professor Aurora Cruz Cabeza's Outputs (9)

Investigating Additive Effects on α‑Glycine Growth through the Measurement of Facet Specific Growth Rates (2025)
Journal Article
Offiler, C., Davey, R. J., Cruz-Cabeza, A. J., & Vetter, T. (2025). Investigating Additive Effects on α‑Glycine Growth through the Measurement of Facet Specific Growth Rates. Crystal Growth and Design, 25(5), 1644-1652. https://doi.org/10.1021/acs.cgd.5c00028

The presence of trace amounts of additives during crystal growth can have a significant impact on the physical properties of the crystallizing substrate (e.g., crystal morphology, purity, polymorphic phase, or growth kinetics). In this work, we repor... Read More about Investigating Additive Effects on α‑Glycine Growth through the Measurement of Facet Specific Growth Rates.

The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals (2024)
Journal Article
Cruz-Cabeza, A., Spackman, P., & Hall, A. (2024). The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals. Communications Chemistry, 7(1), Article 284. https://doi.org/10.1038/s42004-024-01380-3

Supramolecular synthon and hydrogen bond pairing approaches have influenced the understanding of cocrystal formation for decades, but are hydrogen bonds really the dominant interaction in cocrystals? To investigate this, an extensive analysis of 1:1... Read More about The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals.

Rationalizing the Influence of Small-Molecule Dopants on Guanine Crystal Morphology (2024)
Journal Article
Wagner, A., Hill, A., Lemcoff, T., Livne, E., Avtalion, N., Casati, N., Kariuki, B. M., Graber, E. R., Harris, K. D. M., Cruz-Cabeza, A. J., & Palmer, B. A. (2024). Rationalizing the Influence of Small-Molecule Dopants on Guanine Crystal Morphology. Chemistry of Materials, 36(18), 8910–8919. https://doi.org/10.1021/acs.chemmater.4c01771

Many spectacular optical phenomena in animals are produced by reflective assemblies of guanine crystals. The crystals comprise planar H-bonded layers of π-stacked molecules with a high in-plane refractive index. By preferentially expressing the highl... Read More about Rationalizing the Influence of Small-Molecule Dopants on Guanine Crystal Morphology.

What Has Carbamazepine Taught Crystal Engineers? (2024)
Journal Article
Hall, A. V., Cruz-Cabeza, A. J., & Steed, J. W. (2024). What Has Carbamazepine Taught Crystal Engineers?. Crystal Growth and Design, 24(17), 7342-7360. https://doi.org/10.1021/acs.cgd.4c00555

The antiepilepsy drug carbamazepine is one of the most studied pharmaceuticals in the world. The rich story of its solid forms, cocrystals, and formulation is a microcosm of the topical world of pharmaceutical materials. Understanding carbamazepine h... Read More about What Has Carbamazepine Taught Crystal Engineers?.

Crystal size, shape, and conformational changes drive both the disappearance and reappearance of ritonavir polymorphs in the mill. (2024)
Journal Article
Sacchi, P., Wright, S. E., Neoptolemou, P., Lampronti, G. I., Rajagopalan, A. K., Kras, W., …Cruz-Cabeza, A. J. (2024). Crystal size, shape, and conformational changes drive both the disappearance and reappearance of ritonavir polymorphs in the mill. Proceedings of the National Academy of Sciences, 121(15), Article e2319127121. https://doi.org/10.1073/pnas.2319127121

Organic compounds can crystallize in different forms known as polymorphs. Discovery and control of polymorphism is crucial to the pharmaceutical industry since different polymorphs can have significantly different physical properties which impacts th... Read More about Crystal size, shape, and conformational changes drive both the disappearance and reappearance of ritonavir polymorphs in the mill..

Combined imaging and chromatic confocal microscopy technique to characterize size and shape of ensembles of cuboidal particles (2023)
Journal Article
Neoptolemou, P., Vetter, T., Cruz-Cabeza, A. J., & Rajagopalan, A. K. (2023). Combined imaging and chromatic confocal microscopy technique to characterize size and shape of ensembles of cuboidal particles. Powder Technology, 430, Article 119032. https://doi.org/10.1016/j.powtec.2023.119032

The presence of needle- and plate-like particles has detrimental consequences on their downstream processing in the fine chemicals sector. Therefore, the ability to accurately characterize the particle size and shape is essential t... Read More about Combined imaging and chromatic confocal microscopy technique to characterize size and shape of ensembles of cuboidal particles.

Do metastable polymorphs always grow faster? Measuring and comparing growth kinetics of three polymorphs of tolfenamic acid (2023)
Journal Article
Sacchi, P., Neoptolemou, P., Davey, R. J., Reutzel-Edens, S. M., & Cruz-Cabeza, A. J. (2023). Do metastable polymorphs always grow faster? Measuring and comparing growth kinetics of three polymorphs of tolfenamic acid. Chemical Science, 14, Article 11775. https://doi.org/10.1039/d3sc02040a

The phenomenon of molecular crystal polymorphism is of central importance for all those industries that rely on crystallisation for the manufacturing of their products. Computational methods for the evaluation of thermodynamic properties of polymorph... Read More about Do metastable polymorphs always grow faster? Measuring and comparing growth kinetics of three polymorphs of tolfenamic acid.

Polymorphic Solid Solutions in Molecular Crystals: Tips, Tricks, and Switches (2023)
Journal Article
Hill, A., Kras, W., Theodosiou, F., Wanat, M., Lee, D., & Cruz-Cabeza, A. J. (2023). Polymorphic Solid Solutions in Molecular Crystals: Tips, Tricks, and Switches. Journal of the American Chemical Society, 145(37), 20562–20577. https://doi.org/10.1021/jacs.3c07105

Crystal polymorphism has been a topic of much interest for the past 20 years or so, especially since its scientific (and legal) importance to the pharmaceutical industry was realized. By contrast, the formation of solid solutions in molecular crystal... Read More about Polymorphic Solid Solutions in Molecular Crystals: Tips, Tricks, and Switches.

A to Z of polymorphs related by proton transfer (2023)
Journal Article
Woods-Ryan, A., Doherty, C. L., & Cruz-Cabeza, A. J. (2023). A to Z of polymorphs related by proton transfer. CrystEngComm, 25(19), 2845-2858. https://doi.org/10.1039/d3ce00216k

The occurrence of tautomeric polymorphism in the Cambridge Structural Database (CSD) was established to be very rare in a previous study by A. J. Cruz-Cabeza and C. R. Groom (CrystEngComm, 2011, 13, 93). A decade has now elapsed and the CSD has seen... Read More about A to Z of polymorphs related by proton transfer.