Publication 2024
Anker, S.; McKechnie, D.; Mulheran, P.; Sefcik, J.; Johnston, K., Assessment of gaff and opls force fields for urea: Crystal and aqueous solution properties. Cryst Growth Des 2024, 24 (1), 143-158 doi: https://doi.org/10.1021/acs.cgd.3c00785
Barhate, Y.; Boyle, C.; Salami, H.; Wu, W-L.; Taherimakhsousi, N.; Rabinowitz, C.; Bommarius, A.; Cardona, J.; Nagy, Z. K.; Rousseau, R.; Grover, M., OpenCrystalData: an open-access particle image database to facilitate learning, experimentation, and development of image analysis models for crystallization processes. Digital Chemical Engineering 2024. 11, 100150, doi: https://doi.org/10.1016/j.dche.2024.100150.
Bernet, T.; Paliwal, S.; Alyazidi, A.; Standish, R.; Haslam, A. J.; Adjiman, C. S.; Jackson, G.; Galindo, A., Modeling the thermodynamic properties of cyclic alcohols with the SAFT-γ Mie approach: application to cyclohexanol and menthol systems. Molecular Physics 2024, e2394132 doi: https://doi.org/10.1080/00268976.2024.2394132
Bernet, T.; Wehbe, M.; Febra, S. A.; Haslam, A. J.; Adjiman, C. S.; Jackson, G.; Galindo, A., Modeling the thermodynamic properties of saturated lactones in nonideal mixtures with the saft-γ mie approach. Journal of Chemical & Engineering Data 2024, 69 (2), 650-678 doi: https://doi.org/10.1021/acs.jced.3c00358
Bouchkira, I.; Latifi, A. M.; Benyahia, B., Estan—a toolbox for standardized and effective global sensitivity-based estimability analysis. Computers & Chemical Engineering 2024, 186, 108690 doi: https://doi.org/10.1016/j.compchemeng.2024.108690
Brown, C. J.; McGinty, J.; Islam, M. T.; Rajoub, N.; Arjmandi-Tash, O.; Ottoboni, S.; Shahid, M.; Urwin, S. J.; Lee, Y. S.; Chong, M. W. S.; Papathanasiou, F.; Prakash, A. S.; Prasad, E.; Spence, B.; Sefcik, J.; Robertson, J.; Smith, R.; Litster, J. D.; Price, C. J.; Nordon, A.; Adjiman, C. S.; Florence, A. J., Integrated continuous process design for crystallisation, spherical agglomeration, and filtration of lovastatin. Journal of Pharmaceutical Innovation 2024, 19 (2), 9 doi: https://doi.org/10.1007/s12247-024-09815-z
Jolliffe, H. G.; Prostredny, M.; Mendez Torrecillas, C.; Bordos, E.; Tierney, C.; Ojo, E.; Elkes, R.; Reynolds, G.; Li Song, Y.; Meir, B.; Fathollahi, S.; Robertson, J., A modified kushner-moore approach to characterising small-scale blender performance impact on tablet compaction. International Journal of Pharmaceutics 2024, 659, 124232 doi: https://doi.org/10.1016/j.ijpharm.2024.124232,
Jolliffe, H. G.; Tierney, C.; Bordos, E.; Torrecillas, C. M.; Prostredny, M.; Elkes, R.; Robertson, J.; Ojo, E., Transferable mini-blender performance impact on continuous direct compaction tablets using a modified kushner-moore approach. In Computer aided chemical engineering, Manenti, F.; Reklaitis, G. V., Eds. Elsevier: 2024; Vol. 53, pp 1081-1086. https://doi.org/10.1016/B978-0-443-28824-1.50181-2
Jolliffe, H. G.; Torrecillas, C. M.; Reynolds, G.; Elkes, R.; Verrier, H.; Devlin, M.; Dickhoff, B.; Robertson, J., Loss-in-weight feeder performance prediction using machine learning. In Computer aided chemical engineering, Manenti, F.; Reklaitis, G. V., Eds. Elsevier: 2024; Vol. 53, pp 91-96. https://doi.org/10.1016/B978-0-443-28824-1.50016-8
Kathyola, T. A.; Willneff, E. A.; Willis, C. J.; Dowding, P. J.; Schroeder, S. L. M., Reactive caco3 formation from co2 and methanolic ca(oh)2 dispersions: Transient methoxide salts, carbonate esters and sol–gels. ACS Physical Chemistry Au 2024, 4 (5), 555-567 doi: https://doi.org/10.1021/acsphyschemau.4c00041
Lacinska, A. M.; Bateman, K.; Chenery, S.; Kemp, S. J.; Liddy, T.; Rushton, J. C.; Saha, D.; Schroeder, S. L. M., Immobilisation of chromium in magnesium carbonate minerals. Mineralogical Magazine 2024, 88 (2), 162-169 doi: 10.1180/mgm.2023.91, https://www.cambridge.org/core/product/E5139B4392B2B911CD2A4F8BA6CBD1F4
Liu, J.; Benyahia, B., Single and multiobjective shutdown optimization of a multistage continuous crystallizer. Industrial & Engineering Chemistry Research 2024, 63 (16), 7300-7314 doi: https://doi.org/10.1021/acs.iecr.3c03441
Ma, M.; Powell, D.; Nassar, M.; Teckoe, J.; Markl, D.; Zeitler, J. A., Impact of immediate release film coating on the disintegration process of tablets. Journal of Controlled Release 2024, 373, 533-546 doi: https://doi.org/10.1016/j.jconrel.2024.07.037
Maclean, N.; Armstrong, J. A.; Carroll, M. A.; Salehian, M.; Mann, J.; Reynolds, G.; Johnston, B.; Markl, D., Flexible modelling of the dissolution performance of directly compressed tablets. International Journal of Pharmaceutics 2024, 656, 124084 doi: https://doi.org/10.1016/j.ijpharm.2024.124084,
Pickles, T.; Mustoe, C.; Boyle, C.; Cardona, J.; Brown, C. J.; Florence, A. J., Developing a model-driven workflow for the digital design of small-scale batch cooling crystallisation with the antiviral lamivudine. Crystengcomm 2024, 26 (6), 822-834 doi: https://doi.org/10.1039/d3ce00897e
Pickles, T.; Mustoe, C.; Brown, C. J.; Florence, A. J., Comparative study on adaptive bayesian optimization for batch cooling crystallization for slow and fast kinetic regimes. Cryst Growth Des 2024, 24 (3), 1245-1253 doi: https://doi.org/10.1021/acs.cgd.3c01225
Pickles, T.; Svoboda, V.; Marziano, I.; Brown, C. J.; Florence, A. J., Integration of a model-driven workflow into an industrial pharmaceutical facility: Supporting process development of api crystallisation. CrystEngComm 2024, 26 (34), 4678-4689 doi: 10.1039/D4CE00358F, http://dx.doi.org/10.1039/D4CE00358F
Prasad, E.; Robertson, J.; Halbert, G. W., An additive manufacturing microfactory: Overcoming brittle material failure and improving product performance through tablet micro-structure control for an immediate release dose form. Polymers 2024, 16 (18), 2566 doi: https://doi.org/10.3390/polym16182566
Prostredny, M.; Jolliffe, H. G.; Elkes, R.; Maqsood, K.; Song, Y. L.; Reynolds, G.; Meir, B.; Robertson, J., Development and process scaling of repeat mini-blending as a complementary approach to deliver continuous direct compression. Powder Technology 2024, 448, 120224 doi: https://doi.org/10.1016/j.powtec.2024.120224,
Salehian, M.; Moores, J.; Goldie, J.; Ibrahim, I.; Torrecillas, C. M.; Wale, I.; Abbas, F.; Maclean, N.; Robertson, J.; Florence, A.; Markl, D., A hybrid system of mixture models for the prediction of particle size and shape, density, and flowability of pharmaceutical powder blends. International Journal of Pharmaceutics: X 2024, 8, 100298 doi: https://doi.org/10.1016/j.ijpx.2024.100298
Srai, J. S.; Bauer, P.; Badman, C.; Bresciani, M.; Cooney, C. L.; Florence, A.; Hausner, D.; Konstantinov, K.; Lee, S. L.; Mascia, S.; Nasr, M.; Trout, B. L., Emerging applications and regulatory strategies for advanced medicines manufacturing – towards the development of a platform approach. Journal of Pharmaceutical Sciences 2024, 113 (7), 1701-1710 doi: https://doi.org/10.1016/j.xphs.2024.04.016
Schroeder, S. L. M., Homogeneous organic crystal nucleation rates in solution from the perspective of chemical reaction kinetics. Crystals 2024, 14 (4), 349 doi, https://www.mdpi.com/2073-4352/14/4/349
Tait, T.; Salehian, M.; Aroniada, M.; Shier, A. P.; Elkes, R.; Robertson, J.; Markl, D., Empirical model variability: Developing a new global optimisation approach to populate compression and compaction mixture rules. International Journal of Pharmaceutics 2024, 662, 124475 doi: https://doi.org/10.1016/j.ijpharm.2024.124475
