Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation (2015)
Journal Article
Edkins, R. M., Hayden, E., Steed, J. W., & Fucke, K. (2015). Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation. Chemical Communications, 51(25), 5314-5317. https://doi.org/10.1039/c4cc10453f

Two tetrahydocarbazolone derivatives were found to show multiple unsolvated crystal forms. A persistent dimer motif was detected in solution by FTIR spectroscopy that is maintained in the kinetic crystal forms. Rationally introduced steric bulk induc... Read More about Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation.

Insights into the Crystallisation Process from Anhydrous, Hydrated and Solvated Crystal Forms of Diatrizoic Acid (2014)
Journal Article
Fucke, K., McIntyre, G. J., Lemee-Cailleay, M., Wilkinson, C., Edwards, A. J., Howard, J. A., & Steed, J. W. (2015). Insights into the Crystallisation Process from Anhydrous, Hydrated and Solvated Crystal Forms of Diatrizoic Acid. Chemistry - A European Journal, 21(3), 1036-1047. https://doi.org/10.1002/chem.201404693

Diatrizoic acid (DTA), a clinically used X-ray contrast agent, crystallises in two hydrated, three anhydrous and nine solvated solid forms, all of which have been characterised by X-ray crystallography. Single-crystal neutron structures of DTA dihydr... Read More about Insights into the Crystallisation Process from Anhydrous, Hydrated and Solvated Crystal Forms of Diatrizoic Acid.

N-alkyl pyrrolidone ether podands as versatile alkali metal ion chelants (2014)
Journal Article
Perrin, A., Myers, D., Fucke, K., Musa, O. M., & Steed, J. W. (2014). N-alkyl pyrrolidone ether podands as versatile alkali metal ion chelants. Dalton Transactions, 43(8), 3153-3161. https://doi.org/10.1039/c3dt53001a

This work explores the coordination chemistry of a bis(pyrrolidone) ether ligand. Pyrrolidones are commercially important functional groups because of the high polarity and hence high hydrophilicity and surface affinity. An array of alkali metal ion... Read More about N-alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.

Blending gelators to tune gel properties and probe anion-induced disassembly (2014)
Journal Article
Foster, J., Edkins, R., Cameron, G., Colgin, N., Fucke, K., Ridgeway, S., …Steed, J. (2014). Blending gelators to tune gel properties and probe anion-induced disassembly. Chemistry - A European Journal, 20(1), 279-291. https://doi.org/10.1002/chem.201303153

Blending different low molecular weight gelators (LMWGs) provides a convenient route to tune the properties of a gel and incorporate functionalities such as fluorescence. Blending a series of gelators having a common bis-urea motif, and functionalise... Read More about Blending gelators to tune gel properties and probe anion-induced disassembly.

Unexpected Low Temperature Behaviour of Piroxicam Monohydrate (2013)
Journal Article
Fucke, K., Edwards, A., Probert, M., Tallentire, S., Howard, J., & Steed, J. (2013). Unexpected Low Temperature Behaviour of Piroxicam Monohydrate. ChemPhysChem, 14(4), 675-679. https://doi.org/10.1002/cphc.201200316

Upon cooling the monohydrate of the anti-inflammatory drug piroxicam shows reversible splitting (see picture). The cell also shows an irregular contraction over temperature and has a memory effect of its thermal history. This is due to strongly hydro... Read More about Unexpected Low Temperature Behaviour of Piroxicam Monohydrate.

Halogen-Bonding-Triggered Supramolecular Gel Formation (2013)
Journal Article
Meazza, L., Foster, J., Fucke, K., Metrangolo, P., Resnati, G., & Steed, J. (2013). Halogen-Bonding-Triggered Supramolecular Gel Formation. Nature Chemistry, 5(1), 42-47. https://doi.org/10.1038/nchem.1496

Supramolecular gels are topical soft materials involving the reversible formation of fibrous aggregates using non-covalent interactions. There is significant interest in controlling the properties of such materials by the formation of multicomponent... Read More about Halogen-Bonding-Triggered Supramolecular Gel Formation.

Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide (2012)
Journal Article
Fucke, K., Howard, J., & Steed, J. (2012). Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide. Chemical Communications, 48(99), 12065-12067. https://doi.org/10.1039/c2cc35995b

We present three crystal structures of diatrizoic acid (DTA) DMSO solvates illustrating progressive desolvation of the DTA molecule and concomitant increasing degree of DTA self-association. Using these structures, plausible pathways for overcoming t... Read More about Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide.

New insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms (2012)
Journal Article
Fucke, K., McIntyre, G., Wilkinson, C., Henry, M., Howard, J., & Steed, J. (2012). New insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms. Crystal Growth and Design, 12(3), 1395-1401. https://doi.org/10.1021/cg201499s

The asthma therapeutic theophylline exists in at least three anhydrous polymorphs and a monohydrate. The single-crystal X-ray structure of the high-temperature polymorph form I is presented for the first time, and the energetic relationship between f... Read More about New insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms.