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Browsing University of Hertfordshire by Author "Roberts, Kevin J."
Now showing items 1-8 of 8
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Crystallographic tomography and molecular modelling of structured organic polycrystalline powders
Gajjar, Parmesh; Nguyen, Thai T. H.; Sun, Jun; Styliari, Ioanna D.; Bale, Hrishikesh; McDonald, Samuel A.; Burnett, Timothy L.; Tordoff, Benjamin; Lauridsen, Erik; Hammond, Robert B.; Murnane, Darragh; Withers, Philip J.; Roberts, Kevin J. (2021-03-02)A fundamental understanding of the behaviour of polycrystalline materials, including pharmaceuticals, is vital for control of their physicochemical and crystalline properties, which in turn has the potential to improve ... -
A digital workflow from crystallographic structure to single crystal particle attributes for predicting the formulation properties of terbutaline sulfate
Nguyen, Thai T. H.; Hammond, Robert B.; Styliari, Ioanna D.; Murnane, Darragh; Roberts, Kevin J. (2020-05-21)A detailed inter-molecular (synthonic) analysis of terbutaline sulfate, an ionic addition salt for inhalation drug formulation, is related to its crystal morphology, and through this to the surface chemistry of the habit ... -
Formulation pre-screening of inhalation powders using computational atom-atom systematic search method
Ramachandran, Vasuki; Murnane, Darragh; Hammond, Robert B.; Pickering, Jonathan; Roberts, Kevin J.; Soufian, Majeed; Forbes, Ben; Jaffari, Sara; Martin, Gary P.; Collins, Elizabeth; Pencheva, Klimentina (2015-01-05)The synthonic modeling approach provides a molecule-centered understanding of the surface properties of crystals. It has been applied extensively to understand crystallization processes. This study aimed to investigate the ... -
Molecular Synthon Modelling Of Inhalation Pharmaceuticals: A Digital Approach To Understanding And Engineering Particle Surface Interactions
Nguyen, Thai T. H.; Hammond, Robert; Styliari, Ioanna Danai; Murnane, Darragh; Roberts, Kevin J. (2020-02-19) -
On Measuring the Specific Surface Area of inhalation-grade lactose powders
Styliari, Ioanna Danai; Nguyen, Thai TH; Gajjar, Parmesh; Tordoff, Benjamin; Burnett, Timothy; Withers, Philip; Hammond, Robert B.; Roberts, Kevin J.; Murnane, Darragh (2020-01-28) -
Predicting the Strength of Cohesive and Adhesive Interparticle Interactions for Dry Powder Inhalation Blends of Terbutaline Sulfate with α‑Lactose Monohydrate
Ma, Cai Y.; Nguyen, Thai T. H.; Gajjar, Parmesh; Styliari, Ioanna D.; Hammond, Robert B.; Withers, Philip J.; Murnane, Darragh; Roberts, Kevin J. (2023-09-08)Grid-based systematic search methods are used to investigate molecule–molecule, molecule–surface, and surface–surface contributions to interparticle interactions in order to identify the crystal faces that most strongly ... -
Understanding the agglomerate crystallisation of hexamine through X-ray microscopy and crystallographic modelling
Nguyen, Thai T.H.; Gajjar, Parmesh; Sun, Jun; Hammond, Robert B.; Murnane, Darragh; Tordoff, Benjamin; Lauridsen, Erik; Withers, Philip J.; Roberts, Kevin J. (2023-02-01)The detailed molecular-scale mechanism of the growth of organic crystals underpins a diversity of phenomena, such as the isolation and purification of high-quality materials for the pharmaceutical and fine chemical sectors. ... -
Unlocking the Microstructure of Inhalation Blends using X-ray Microscopy
Gajjar, Parmesh; Bale, Hrishikesh; Burnett, Timothy; Chen, Xizhong; Elliot, James A.; Gomez, Herminso Villarraga; Hammond, Robert B.; Nguyen, Hien; Roberts, Kevin J.; Styliari, Ioanna Danai; Tordoff, Benjamin; Withers, Philip; Murnane, Darragh (Respiratory Drug Delivery, RDD, 2020-04-26)Microstructural equivalence (Q3) for dry powder inhalers (DPIs) is complex because it involves both pre- and post-aerosolization powders and can be influenced by the DPI device and the patient’s aerosolization efficiency. In ...