Search Results - "Davey, Roger J"

Nucleation of Organic Crystals-A Molecular Perspective by Davey, Roger J., Schroeder, Sven L. M., ter Horst, Joop H.

“…The outcome of synthetic procedures for crystalline organic materials strongly depends on the first steps along the molecular self‐assembly pathway, a process…”
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Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes by Stevens, Joanna S, Byard, Stephen J, Seaton, Colin C, Sadiq, Ghazala, Davey, Roger J, Schroeder, Sven L M

“…The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray…”
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The Kinetic Story of Tailor-made Additives in Polymorphic Systems: New Data and Molecular Insights for p-Aminobenzoic Acid by Black, James. F. B, Cruz-Cabeza, Aurora. J, Davey, Roger. J, Willacy, Robert. D, Yeoh, Alvin

“…We report on the nucleation and growth kinetics of the α and β polymorphs of p-aminobenzoic acid (pABA) in the presence of two additives:…”
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Structure, solubility, screening, and synthesis of molecular salts by Black, Simon N, Collier, Edwin A, Davey, Roger J, Roberts, Ron J

“…The preparation of molecular salts as potential delivery vehicles for pharmaceutically active compounds is more common than current appreciation of the…”
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Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures by Stevens, Joanna S., Byard, Stephen J., Seaton, Colin C., Sadiq, Ghazala, Davey, Roger J., Schroeder, Sven L. M.

“…Ionic bond or hydrogen bridge? Brønsted proton transfer to nitrogen acceptors in organic crystals causes strong N1s core‐level binding energy shifts. A study…”
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Concerning Elusive Crystal Forms: The Case of Paracetamol by Liu, Yumin, Gabriele, Benjamin, Davey, Roger J, Cruz-Cabeza, Aurora J

“…Increasing commercial application of state of the art crystal structure prediction to aid solid form discovery of new molecular entities allows the…”
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Quantifying the Inherent Uncertainty Associated with Nucleation Rates Estimated from Induction Time Data Measured in Small Volumes by Xiao, Yan, Tang, Sin Kim, Hao, Hongxun, Davey, Roger J, Vetter, Thomas

“…Unravelling the molecular complexities of crystal nucleation from solutions is predicated on our ability to measure and interpret high quality kinetic data…”
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Open questions in organic crystal polymorphism by Cruz-Cabeza, Aurora J., Feeder, Neil, Davey, Roger J.

“…Polymorphs, crystals with different structure and properties but the same molecular composition, arise from the subtle interplay between thermodynamics and…”
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Binary and Ternary Phase Diagrams as Routes to Salt Discovery: Ephedrine and Pimelic Acid by Cooke, Claire L, Davey, Roger J, Black, Simon, Muryn, Chris, Pritchard, Robin G

“…Despite the commercial importance of molecular salts in pharmaceutical applications, there are few previous studies of their phase behavior in binary and…”
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The Ostwald Ratio, Kinetic Phase Diagrams, and Polymorph Maps by Cardew, Peter T, Davey, Roger J

“…From a general formulation of batch crystallization in a polymorphic system, it is shown that the concept of an Ostwald ratio provides a fundamental parameter…”
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The nucleation of inosine: the impact of solution chemistry on the appearance of polymorphic and hydrated crystal forms by Chiarella, Renato A, Gillon, Amy L, Burton, Rebecca C, Davey, Roger J, Sadiq, Ghazala, Auffret, Anthony, Cioffi, Marina, Hunter, Christopher A

“…This contribution concerns the issue of crystal nucleation in the polymorphic and hydrate forming system inosine-water. A combination of computational and…”
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Transforming Computed Energy Landscapes into Experimental Realities: The Role of Structural Rugosity by Montis, Riccardo, Davey, Roger J., Wright, Sarah E., Woollam, Grahame R., Cruz‐Cabeza, Aurora J.

“…We exploit the possible link between structural surface roughness and difficulty of crystallisation. Polymorphs with smooth surfaces may nucleate and…”
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Do metastable polymorphs always grow faster? Measuring and comparing growth kinetics of three polymorphs of tolfenamic acid by Sacchi, Pietro, Neoptolemou, Petros, Davey, Roger J, Reutzel-Edens, Susan M, Cruz-Cabeza, Aurora J

“…The phenomenon of molecular crystal polymorphism is of central importance for all those industries that rely on crystallisation for the manufacturing of their…”
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Crystal Growth Cell Incorporating Automated Image Analysis Enabling Measurement of Facet Specific Crystal Growth Rates by Offiler, Caroline A, Cruz-Cabeza, Aurora J, Davey, Roger J, Vetter, Thomas

“…We present an automated method for measuring facet specific growth rates by combining a crystal growth flow cell with image processing. This paper details the…”
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Can molecular flexibility control crystallization? The case of para substituted benzoic acids by Tang, Sin Kim, Davey, Roger J, Sacchi, Pietro, Cruz-Cabeza, Aurora J

“…Despite the technological importance of crystallization from solutions almost nothing is known about the relationship between the kinetic process of nucleation…”
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Complex Growth of Benzamide Form I: Effect of Additives, Solution Flow, and Surface Rugosity by Offiler, Caroline A., Fonte, Cláudio P., Kras, Weronika, Neoptolemou, Petros, Davey, Roger J., Vetter, Thomas, Cruz-Cabeza, Aurora J.

“…Understanding crystal growth kinetics is of great importance for the development and manufacturing of crystalline molecular materials. In this work, the impact…”
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Impact of Crystal Structure and Molecular Conformation on the Hydration Kinetics of Fluconazole by Basford, Patricia A, Back, Kevin R, Cram, Michael, Docherty, Robert, Davey, Roger J, Cruz-Cabeza, Aurora J

“…In this contribution, the hydration kinetics of three anhydrous polymorphs (AH-A, AH-B, and AH-C) of fluconazole [2-(2,4-difluorophenyl)-1,3-bis…”
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On the Melting of Binary Organic Compounds by Black, Simon N, Woon, Claire L, Davey, Roger J

“…The melting behaviors of three binary organic compounds, a racemate, a cocrystal, and a salt, are compared with their individual components and with each…”
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The Crystallization of Glycine Polymorphs from Emulsions, Microemulsions, and Lamellar Phases by Allen, Kimberley, Davey, Roger J, Ferrari, Elena, Towler, Christopher, Tiddy, Gordon J, Jones, Merfyn O, Pritchard, Robin G

“…This paper explores the crystallization of glycine from aqueous solution within a variety of colloidal systems in which the dimension of the crystallization…”
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When Crystals Do Not Grow: The Growth Dead Zone by Liu, Yumin, Black, James F. B, Boon, Kai F, Cruz-Cabeza, Aurora J, Davey, Roger J, Dowling, Richard J, George, Neil, Hutchinson, Adrian, Montis, Riccardo

“…The experimental observation that certain crystal faces do not grow, despite being in contact with supersaturated solution, is a widely reported phenomenon…”
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