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
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
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
2023
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-gamma mie approach. J Chem Eng Data 2024, 69 (2), 650-678 doi: https://doi.org/10.1021/acs.jced.3c00358
Bjarnason, A.; Majumder, A., A novel simulated moving plug flow crystallizer (sm-pfc) for addressing the encrustation problem: Simulation-based studies on cooling crystallization. Ind Eng Chem Res 2023, 62 (12), 5051-5064 doi: https://doi.org/10.1021/acs.iecr.2c02862
Bouchkira, I.; Benyahia, B., Multi-objective model-based design of experiments of pharmaceutical tableting process. In Computer aided chemical engineering, Kokossis, A. C.; Georgiadis, M. C.; Pistikopoulos, E., Eds. Elsevier: 2023; Vol. 52, pp 349-354. https://doi.org/10.1016/B978-0-443-15274-0.50070-6
Bouchkira, I.; Latifi, A. M.; Benyahia, B., Estan – a toolbox for global sensitivity based estimability analysis. In Computer aided chemical engineering, Kokossis, A. C.; Georgiadis, M. C.; Pistikopoulos, E., Eds. Elsevier: 2023; Vol. 52, pp 439-444. https://doi.org/
Britto, S.; Parlett, C. M. A.; Bartlett, S.; Elliott, J. D.; Ignatyev, K.; Schroeder, S. L. M., Intermediates during the nucleation of platinum nanoparticles by a reaction with ethylene glycol: Operando x-ray absorption spectroscopy studies with a microfluidic cell. The Journal of Physical Chemistry C 2023, 127 (18), 8631-8639 doi: 10.1021/acs.jpcc.2c08749, https://doi.org/10.1021/acs.jpcc.2c08749
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Charpentier, M. D.; Venkatramanan, R.; Rougeot, C.; Leyssens, T.; Johnston, K.; ter Horst, J. H., Multicomponent chiral quantification with ultraviolet circular dichroism spectroscopy: Ternary and quaternary phase diagrams of levetiracetam. Molecular Pharmaceutics 2023, 20 (1), 616-629 doi: https://doi.org/10.1021/acs.molpharmaceut.2c00825
Chong, M. W. S.; Parrott, A. J.; Ashworth, D. J.; Fletcher, A. J.; Nordon, A., Non-invasive monitoring of the growth of metal–organic frameworks (mofs) via raman spectroscopy. Physical Chemistry Chemical Physics 2023, doi: 10.1039/D3CP01004J, http://dx.doi.org/10.1039/D3CP01004J
Flannigan, J. M.; Maciver, D.; Jolliffe, H.; Haw, M. D.; Sefcik, J., Nucleation and growth kinetics of sodium chloride crystallization from water and deuterium oxide. Crystals 2023, 13 (9), 1388 doi: https://doi.org/10.3390/cryst13091388
Hou, P.; Besenhard, M. O.; Halbert, G.; Naftaly, M.; Markl, D., Development and implementation of a pneumatic micro-feeder for poorly-flowing solid pharmaceutical materials. International Journal of Pharmaceutics 2023, 635, 122691 doi: 10.1016/j.ijpharm.2023.12269 https://www.sciencedirect.com/science/article/pii/S0378517323001114
Jones, E. C. L.; Goldsmith, K. E.; Ward, M. R.; Bimbo, L. M.; Oswald, I. D. H., Exploring the thermal behaviour of the solvated structures of nifedipine. Acta Crystallogr B Struct Sci Cryst Eng Mater 2023, 79 (Pt 2), 164-175 doi: 10.1107/S2052520623001282, https://www.ncbi.nlm.nih.gov/pubmed/36920879
Leeming, R.; Mahmud, T.; Roberts, K. J.; George, N.; Webb, J.; Simone, E.; Brown, C. J., Development of a digital twin for the prediction and control of supersaturation during batch cooling crystallization. Industrial & Engineering Chemistry Research 2023, 62 (28), 11067-11081 doi: https://doi.org/10.1021/acs.iecr.3c00371
Maclean, N.; Khadra, I.; Mann, J.; Abbott, A.; Mead, H.; Markl, D., Formulation-dependent stability mechanisms affecting dissolution performance of directly compressed griseofulvin tablets. International Journal of Pharmaceutics 2023, 631, 122473 doi: https://doi.org/10.1016/j.ijpharm.2022.122473
McGinty, J.; Wheatcroft, H.; Price, C. J.; Sefcik, J., Modelling solution speciation to predict pH and supersaturation for design of batch and continuous organic salt crystallisation processes. Fluid Phase Equilibria 2023, 565, 113676. https://doi.org/10.1016/j.fluid.2022.113676
Murphy, K. N.; Markl, D.; Nordon, A.; Naftaly, M., Observation of spurious spectral features in mixed-powder compressed pellets measured by terahertz time-domain spectroscopy. Ieee Transactions on Terahertz Science and Technology 2023, 13 (5), 569-572 doi: https://doi.org/10.1109/Tthz.2023.3290118
Murphy, K. N.; Naftaly, M.; Nordon, A.; Markl, D., Effect of particle size and concentration on low-frequency terahertz scattering in granular compacts [invited]. Opt. Mater. Express 2023, 13 (8), 2251-2263 doi: https://doi.org/10.1364/Ome.494825
Pereira Diaz, L.; Brown, C. J.; Ojo, E.; Mustoe, C.; Florence, A. J., Machine learning approaches to the prediction of powder flow behaviour of pharmaceutical materials from physical properties. Digital Discovery 2023, 2 (3), 692-701 doi: http://dx.doi.org/10.1039/D2DD00106C
Prasad, E.; Robertson, J.; Florence, A. J.; Halbert, G. W., Expanding the pharmaceutical formulation space in material extrusion 3d printing applications. Additive Manufacturing 2023, 77, 103803 doi: https://doi.org/10.1016/j.addma.2023.103803
Settanni, E.; Heijungs, R.; Srai, J. S., Where have all the equations gone? A unified view on semi-quantitative problem structuring and modelling. Journal of the Operational Research Society 2022, 74 (1), 290-309 doi: https://doi.org/10.1080/01605682.2022.2039565
Soundaranathan, M.; Al-Sharabi, M.; Sweijen, T.; Bawuah, P.; Zeitler, J. A.; Hassanizadeh, S. M.; Pitt, K.; Johnston, B. F.; Markl, D., Modelling the Evolution of Pore Structure during the Disintegration of Pharmaceutical Tablets. Pharmaceutics 2023, 15 (2), 489. https://doi.org/10.3390/pharmaceutics15020489
Tang, W.; Yang, T.; Morales-Rivera, C. A.; Geng, X.; Srirambhatla, V. K.; Kang, X.; Chauhan, V. P.; Hong, S.; Tu, Q.; Florence, A. J.; Mo, H.; Calderon, H. A.; Kisielowski, C.; Hernandez, F. C. R.; Zou, X.; Mpourmpakis, G.; Rimer, J. D., Tautomerism unveils a self-inhibition mechanism of crystallization. Nature Communications 2023, 14 (1), 561 doi: https://doi.org/10.1038/s41467-023-35924-3
Tew, J. D.; Pitt, K.; Smith, R.; Litster, J. D., True bridging liquid-solid ratio (tbsr): Redefining a critical process parameter in spherical agglomeration. Powder Technology 2023, 430, 119010 doi: https://doi.org/10.1016/j.powtec.2023.119010
Urwin, S. J.; Chong, M. W. S.; Li, W.; McGinty, J.; Mehta, B.; Ottoboni, S.; Pathan, M.; Prasad, E.; Robertson, M.; McGowan, M.; al-Attili, M.; Gramadnikova, E.; Siddique, M.; Houson, I.; Feilden, H.; Benyahia, B.; Brown, C. J.; Halbert, G. W.; Johnston, B.; Nordon, A.; Price, C. J.; Reilly, C. D.; Sefcik, J.; Florence, A. J., Digital process design to define and deliver pharmaceutical particle attributes. Chemical Engineering Research and Design 2023, 196, 726-749 doi: https://doi.org/10.1016/j.cherd.2023.07.003, https://www.sciencedirect.com/science/article/pii/S0263876223004392
Vassileiou, A. D.; Robertson, M.; Wareham, B. G.; Soundaranathan, M.; Ottoboni, S.; Florence, A. J.; Hartwig, T.; Johnston, B. F., A Unified AI Framework for Solubility Prediction Across Organic Solvents. Digital Discovery 2023. https://doi.org/10.1039/d2dd00024e
Ward, M. R.; Taylor, C. R.; Mulvee, M. T.; Lampronti, G. I.; Belenguer, A. M.; Steed, J. W.; Day, G. M.; Oswald, I. D. H., Pushing technique boundaries to probe conformational polymorphism. Crystal Growth & Design 2023, 23 (10), 7217-7230 doi: https://doi.org/10.1021/acs.cgd.3c00641
Wilkinson, M. R.; Pereira Diaz, L.; Vassileiou, A. D.; Armstrong, J. A.; Brown, C. J.; Castro-Dominguez, B.; Florence, A. J., Predicting pharmaceutical powder flow from microscopy images using deep learning. Digital Discovery 2023, 2 (2), 459-470 doi: 10.1039/D2DD00123C, http://dx.doi.org/10.1039/D2DD00123C
Yerdelen, S.; Yang, Y.; Quon, J. L.; Papageorgiou, C. D.; Mitchell, C.; Houson, I.; Sefcik, J.; ter Horst, J. H.; Florence, A. J.; Brown, C. J., Machine Learning-Derived Correlations for Scale-Up and Technology Transfer of Primary Nucleation Kinetics. Crystal Growth & Design 2023. https://doi.org/10.1021/acs.cgd.2c00192
Yuan, X.; Benyahia, B., A combined d-optimal and estimability model-based design of experiments of a batch cooling crystallization process. In Computer aided chemical engineering, Kokossis, A. C.; Georgiadis, M. C.; Pistikopoulos, E., Eds. Elsevier: 2023; Vol. 52, pp 255-260. https://doi.org/10.1016/B978-0-443-15274-0.50041-X
2022
Anandan, P. D.; Rielly, C. D.; Benyahia, B., Optimal control policies of a crystallization process using inverse reinforcement learning. In Computer aided chemical engineering, Montastruc, L.; Negny, S., Eds. Elsevier: 2022; Vol. 51, pp 1093-1098. https://doi.org/10.1016/B978-0-323-95879-0.50183-1
Aulakh, P. K.; Settanni, E.; Srai, J. S., Continuous manufacturing technologies in upstream pharmaceutical supply chains: Combining engineering and managerial criteria. Journal of Multi-Criteria Decision Analysis 2022, 29 (3-4), 298-312. https://doi.org/10.1002/mcda.1775
Campbell, T. J. S.; Rielly, C. D.; Benyahia, B., Digital design and optimization of an integrated reaction-extraction-crystallization-filtration continuous pharmaceutical process. In 32nd European Symposium on Computer Aided Process Engineering, Montastruc, L.; Negny, S., Eds. Elsevier: 2022; Vol. 51, pp 775-780. https://doi.org/10.1016/b978-0-323-95879-0.50130-2
Chong, M. W. S.; McGlone, T.; Chai, C. Y.; Briggs, N. E. B.; Brown, C. J.; Perciballi, F.; Dunn, J.; Parrott, A. J.; Dallin, P.; Andrews, J.; Nordon, A.; Florence, A. J., Temperature Correction of Spectra to Improve Solute Concentration Monitoring by In Situ Ultraviolet and Mid-Infrared Spectrometries toward Isothermal Local Model Performance. Org Process Res Dev 2022, 26 (11), 3096-3105. https://doi.org/10.1021/acs.oprd.2c00238
Chong, M. W. S.; Ottoboni, S.; Martin, A. R. G.; Bowering, D.; Price, C. J.; Nordon, A.; Oswald, I. D. H.; Ward, M. R., Crystal structure of a copper–mefenamate complex solvated with diglyme and water. Acta Crystallographica Section E Crystallographic Communications 2022, 78 (12), 1209-1212. https://doi.org/10.1107/s2056989022010647
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Edwards, P. T.; Saunders, L. K.; Grinter, D. C.; Ferrer, P.; Held, G.; Shotton, E. J.; Schroeder, S. L. M., Determination of H-Atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: a Study of Two-Component Systems Containing Isonicotinamide. J Phys Chem A 2022, 126 (19), 2889-2898. https://doi.org/10.1021/acs.jpca.2c00439
Farouq, M. A. H.; Kubiak-Ossowska, K.; Al Qaraghuli, M. M.; Ferro, V. A.; Mulheran, P. A., Functionalisation of Inorganic Material Surfaces with Staphylococcus Protein A: A Molecular Dynamics Study. Int J Mol Sci 2022, 23 (9), 4832. https://doi.org/10.3390/ijms23094832
Garg, V.; Deng, T.; Bradley, M. S. A., A new method for assessing powder flowability based on physical properties and cohesiveness of particles using a small quantity of samples. Powder Technology 2022, 395, 708-719. https://doi.org/10.1016/j.powtec.2021.10.027
Hoffmann, J.; Flannigan, J.; Cashmore, A.; Lucia Briuglia, M.; Steendam, R. R. E.; Gerard, C.; Haw, M.; Sefcik, J.; ter Horst, J., The Unexpected Dominance of Secondary over Primary Nucleation. Faraday Discussions 2022. http://dx.doi.org/10.1039/D1FD00098E
Janssen, P. H. M.; Kulkarni, S. S.; Torrecillas, C. M.; Tegel, F.; Weinekoetter, R.; Meir, B.; Dickhoff, B. H. J., Effect of batch-to-batch variation of spray dried lactose on the performance of feeders. Powder Technology 2022, 409, 117776. https://doi.org/10.1016/j.powtec.2022.117776
Joglekar, N.; Anderson Jr, E. G.; Lee, K.; Parker, G.; Settanni, E.; Srai, J. S., Configuration of digital and physical infrastructure platforms: Private and public perspectives. Production and Operations Management 2022, 31 (12), 4515-4528 doi: https://doi.org/10.1111/poms.13865
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Leng, J.; Pickering, J. H.; Schroeder, S. L. M.; Das, G., CrystalGrowthTracker: A Python package to analyse crystal face advancement rates from time lapse synchrotron radiography. Journal of Open Source Software 2022, 7 (79). https://doi.org/10.21105/joss.04333
Li, W., Benyahia, B., Rielly, C.D. In Tuning shape and size of mefenamic acid crystals using wet-milling and sonication aided Direct Nucleation Control, The 3rd International Online Conference on Crystals session Industrial Crystallization, Online, SciForum: Online, 2022. https://doi.org/10.3390/IOCC_2022-12165
Liu, J. X.; Benyahia, B., Optimal start-up strategies of a combined cooling and antisolvent multistage continuous crystallization process. Computers & Chemical Engineering 2022, 159, 107671. https://doi.org/10.1016/j.compchemeng.2022.107671
Li, W.; Rielly, C. D.; Benyahia, B., Targeting Desired Particle Size for Improved Dissolution and Manufacturability of Mefenamic Acid. Chemistry Proceedings 2022, 9 (1), 21. https://doi.org/10.3390/IOCC_2022-12165
Mack, C.; Hoffmann, J.; Sefcik, J.; ter Horst, J. H., Phase diagram determination and process development for continuous antisolvent crystallizations. Crystals 2022, 12 (8), 1102 doi: https://doi.org/10.3390/cryst12081102
Maclean, N.; Khadra, I.; Mann, J.; Williams, H.; Abbott, A.; Mead, H.; Markl, D., Investigating the role of excipients on the physical stability of directly compressed tablets. International Journal of Pharmaceutics: X 2022, 4, 100106. https://doi.org/10.1016/j.ijpx.2021.100106
Maldonado, D. A.; Vassileiou, A.; Johnston, B.; Florence, A. J.; Brown, C. J., Data mining crystallization kinetics. Digital Discovery 2022. https://doi.org/10.1039/D2DD00033D
Manson, A.; Sefcik, J.; Lue, L., Temperature Dependence of Solubility Predicted from Thermodynamic Data Measured at a Single Temperature: Application to alpha, beta, and gamma-Glycine. Cryst Growth Des 2022, 22 (3), 1691-1706. https://doi.org/10.1021/acs.cgd.1c01217
McGinty, J.; Svoboda, V.; MacFhionnghaile, P.; Wheatcroft, H.; Price, C. J.; Sefcik, J., Continuous crystallisation of organic salt polymorphs. Frontiers in Chemical Engineering 2022, 4. https://doi.org/10.3389/fceng.2022.896329
McKechnie, D.; Mulheran, P. A.; Sefcik, J.; Johnston, K., Tuning Interfacial Concentration Enhancement through Dispersion Interactions to Facilitate Heterogeneous Nucleation. J Phys Chem C Nanomater Interfaces 2022, 126 (38), 16387-16400. https://doi.org/10.1021/acs.jpcc.2c04410
Miller, R.; Sefcik, J.; Lue, L., Modeling Diffusive Mixing in Antisolvent Crystallization. Cryst Growth Des 2022, 22 (4), 2192-2207. 1 https://doi.org/0.1021/acs.cgd.1c01269
Muhieddine, M. H.; Jonuzaj, S.; Viswanath, S. K.; Armstrong, A.; Galindo, A.; Adjiman, C. S., Model-based solvent selection for integrated synthesis, crystallisation and isolation processes. In 32nd European Symposium on Computer Aided Process Engineering, Montastruc, L.; Negny, S., Eds. Elsevier: 2022; Vol. 51, pp 601-606. https://doi.org/10.1016/b978-0-323-95879-0.50101-6
Murphy, K. N.; Naftaly, M.; Nordon, A.; Markl, D. In Analysis of thz scattering of compacted granular materials using thz-tds, 2022 47th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz), 28 Aug.-2 Sept. 2022; 2022; pp 1-2.doi: https://doi.org/10.1109/IRMMW-THz50927.2022.9895792
Murphy, K. N.; Naftaly, M.; Nordon, A.; Markl, D., Polymer Pellet Fabrication for Accurate THz-TDS Measurements. Applied Sciences 2022, 12 (7), 3475. https://doi.org/10.3390/app12073475
Nakapraves, S.; Warzecha, M.; Mustoe, C. L.; Srirambhatla, V.; Florence, A. J., Prediction of Mefenamic Acid Crystal Shape by Random Forest Classification. Pharm Res 2022, 39 (12), 3099-3111. https://doi.org/10.1007/s11095-022-03450-4
Obamuyide, A., Johnston, B. In Meta-learning adaptive knowledge distillation for efficient biomedical natural language processing, Association for Computational Linguistics, Findings of the Association for Computational Linguistics: AACL-IJCNLP 2022: 2022. https://aclanthology.org/2022.findings-aacl.12
Ottoboni, S.; Brown, C. J.; Mehta, B.; Jimeno, G.; Mitchell, N. A.; Sefcik, J.; Price, C. J., Digital Design of Filtration and Washing of Active Pharmaceutical Ingredients via Mechanistic Modeling. Org Process Res Dev 2022, 26 (12), 3236-3253. https://doi.org/10.1021/acs.oprd.2c00165
Pickles, T.; Mustoe, C.; Brown, C.; Florence, A., Autonomous DataFactory: High-throughput screening for large-scale data collection to inform medicine manufacture. British Journal of Pharmacy 2022, 7 (2). https://doi.org/10.5920/bjpharm.1128
Polyzois, H.; Guo, R.; Srirambhatla, V. K.; Warzecha, M.; Prasad, E.; Turner, A.; Halbert, G. W.; Keating, P.; Price, S. L.; Florence, A. J., Crystal Structure and Twisted Aggregates of Oxcarbazepine Form III. Cryst Growth Des 2022, 22 (7), 4146-4156. https://doi.org/10.1021/acs.cgd.2c00152
Prasad, E.; Robertson, J.; Halbert, G. W., Mefenamic acid solid dispersions: Impact of formulation composition on processing parameters, product properties and performance. International Journal of Pharmaceutics 2022, 121505. https://doi.org/10.1016/j.ijpharm.2022.121505
Settanni, E.; Heijungs, R.; Srai, J. S., Where have all the equations gone? A unified view on semi-quantitative problem structuring and modelling. Journal of the Operational Research Society 2022, 1-20. https://doi.org/10.1080/01605682.2022.2039565
Settanni, E.; Srai, J., Exploring interdependencies in digital supply chain transformations using gamification and visual- interactive techniques. 2022. https://doi.org/10.17863/CAM.93583
Shahid, M.; Faure, C.; Ottoboni, S.; Lue, L.; Price, C., Employing Constant Rate Filtration To Assess Active Pharmaceutical Ingredient Washing Efficiency. Org Process Res Dev 2022, 26 (1), 97-110. https://doi.org/10.1021/acs.oprd.1c00272
Sheridan, R.; Cardona, J.; Tachtatzis, C.; Chen, Y.-C.; Cleary, A.; Briggs, N.; Florence, A.; Atkinson, R.; Michie, C.; Andonovic, I.; Sefcik, J., Effect of oscillatory flow conditions on crystalliser fouling investigated through non-invasive imaging. Chem Eng Sci 2022, 252, 117188. https://doi.org/10.1016/j.ces.2021.117188
Stegemann, S.; Sheehan, L.; Rossi, A.; Barrett, A.; Paudel, A.; Crean, A.; Ruiz, F.; Bresciani, M.; Liu, F.; Shariff, Z.; Shine, M.; Schmelzer, C.; Pense-Lheritier, A.-M., Rational and practical considerations to guide a target product profile for patient-centric drug product development with measurable patient outcomes – A proposed roadmap. European Journal of Pharmaceutics and Biopharmaceutics 2022, 177, 81-88. https://doi.org/10.1016/j.ejpb.2022.06.006
Sun, Z.; Quon, J. L.; Papageorgiou, C. D.; Benyahia, B.; Rielly, C. D., Use of Wet Milling Combined with Temperature Cycling to Minimize Crystal Agglomeration in a Sequential Antisolvent-Cooling Crystallization. Cryst Growth Des 2022, 22 (8), 4730-4744. https://doi.org/10.1021/acs.cgd.1c01510
Svoboda, V.; Venkatramanan, R.; Jaap, M.; Lue, L.; ter Horst, J. H.; Sefcik, J., Co-crystal Phase Diagram Determination by the Solution Addition Method. Crystal Growth & Design 2022, 22 (5), 3376-3384. https://doi.org/10.1021/acs.cgd.2c00169
Walsh, E.; Maclean, N.; Turner, A.; Alsuleman, M.; Prasad, E.; Halbert, G.; Ter Horst, J. H.; Markl, D., Manufacture of tablets with structurally-controlled drug release using rapid tooling injection moulding. Int J Pharm 2022, 624, 121956. https://doi.org/10.1016/j.ijpharm.2022.121956
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Wilkinson, M. R.; Martinez-Hernandez, U.; Huggon, L. K.; Wilson, C. C.; Dominguez, B. C., Predicting pharmaceutical crystal morphology using artificial intelligence. Crystengcomm 2022, 24 (43), 7545-7553 doi: https://doi.org/10.1039/d2ce00992g
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2021
Al-Sharabi, M.; Markl, D.; Vivacqua, V.; Bawuah, P.; MacLean, N.; Bentley, M.; York, A. P. E.; Marigo, M.; Huang, K.; Zeitler, J. A., Terahertz pulsed imaging as a new method for investigating the liquid transport kinetics of α-alumina powder compacts. Chemical Engineering Research and Design 2021, 165, 386-397. https://doi.org/10.1016/j.cherd.2020.11.006
Bawuah, P.; Markl, D.; Turner, A.; Evans, M.; Portieri, A.; Farrell, D.; Lucas, R.; Anderson, A.; Goodwin, D. J.; Zeitler, J. A., A Fast and Non-destructive Terahertz Dissolution Assay for Immediate Release Tablets. Journal of Pharmaceutical Sciences 2021, 110 (5), 2083-2092. https://doi.org/10.1016/j.xphs.2020.11.041
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Briggs, N. E. B.; McGinty, J.; McCabe, C.; Raval, V.; Sefcik, J.; Florence, A. J., Heat Transfer and Residence Time Distribution in Plug Flow Continuous Oscillatory Baffled Crystallizers. ACS Omega 2021, 6 (28), 18352-18363. https://doi.org/10.1021/acsomega.1c02215
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Deng, T.; Garg, V.; Bradley, M. S. A., A study of particle adhesion for cohesive powders using a novel mechanical surface energy tester. Powder Technology 2021, 391, 46-56. https://doi.org/10.1016/j.powtec.2021.06.002
Edwards, P. T.; Saunders, L. K.; Pallipurath, A. R.; Britton, A. J.; Willneff, E. A.; Shotton, E. J.; Schroeder, S. L. M., Proton Transfer on the Edge of the Salt/Cocrystal Continuum: X-Ray Photoelectron Spectroscopy of Three Isonicotinamide Salts. Crystal Growth & Design 2021, 21 (11), 6332-6340. https://doi.org/10.1021/acs.cgd.1c00807
Febra, S. A.; Bernet, T.; Mack, C.; McGinty, J.; Onyemelukwe, I. I.; Urwin, S. J.; Sefcik, J.; ter Horst, J. H.; Adjiman, C. S.; Jackson, G.; Galindo, A., Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: solubility prediction and experimental measurement. Fluid Phase Equilibria 2021, 113002. https://doi.org/10.1016/j.fluid.2021.113002
Jones, E. C. L.; Bebiano, S. S.; Ward, M. R.; Bimbo, L. M.; Oswald, I. D. H., Pressure-induced superelastic behaviour of isonicotinamide. Chem Commun (Camb) 2021, 57 (89), 11827-11830. https://doi.org/10.1039/D1CC04692F
Kaur Aulakh, P.; Settanni, E.; Srai, J. S., Multi-Criteria Assessment of Continuous Manufacturing Reactor Technologies in Upstream Pharmaceutical Supply Chains. SSRN Electronic Journal 2021. https://doi.org/10.2139/ssrn.3884025
Maclean, N.; Walsh, E.; Soundaranathan, M.; Khadra, I.; Mann, J.; Williams, H.; Markl, D., Exploring the performance-controlling tablet disintegration mechanisms for direct compression formulations. International Journal of Pharmaceutics 2021, 599, 120221. https://doi.org/10.1016/j.ijpharm.2021.120221
Markl, D.; Maclean, N.; Mann, J.; Williams, H.; Abbott, A.; Mead, H.; Khadra, I., Tablet disintegration performance: Effect of compression pressure and storage conditions on surface liquid absorption and swelling kinetics. International Journal of Pharmaceutics 2021, 601, 120382. https://doi.org/10.1016/j.ijpharm.2021.120382
Ottoboni, S.; Wareham, B.; Vassileiou, A.; Robertson, M.; Brown, C. J.; Johnston, B.; Price, C. J., A Novel Integrated Workflow for Isolation Solvent Selection Using Prediction and Modeling. Organic Process Research & Development 2021. https://doi.org/10.1021/acs.oprd.0c00532
Pallipurath, A. R.; Skelton, J. M.; Britton, A.; Willneff, E. A.; Schroeder, S. L. M., Bulk and Surface Conformations in Solid-State Lovastatin: Spectroscopic and Molecular Dynamics Studies. Crystals 2021, 11 (5), 509. https://doi.org/10.3390/cryst11050509
Rodrigues, M. A.; Rego, P.; Geraldes, V.; Connor, L. E.; Oswald, I. D. H.; Sztucki, M.; Shalaev, E., Mannitol Crystallization at Sub-Zero Temperatures: Time/Temperature-Resolved Synchrotron X-ray Diffraction Study and the Phase Diagram. J Phys Chem Lett 2021, 12 (5), 1453-1460. https://doi.org/10.1021/acs.jpclett.0c03680
Saunders, L. K.; Pallipurath, A. R.; Gutmann, M. J.; Nowell, H.; Zhang, N.; Allan, D. R., A quantum crystallographic approach to short hydrogen bonds. CrystEngComm 2021, 23 (35), 6180-6190. https://doi.org/10.1039/D1CE00355K
Shahid, M.; Sanxaridou, G.; Ottoboni, S.; Lue, L.; Price, C., Exploring the Role of Anti-solvent Effects during Washing on Active Pharmaceutical Ingredient Purity. Organic Process Research & Development 2021, 25 (4), 969-981. https://doi.org/10.1021/acs.oprd.1c00005
Sheridan, R.; Cardona, J.; Tachtatzis, C.; Chen, Y.-C.; Cleary, A.; Briggs, N.; Florence, A.; Atkinson, R.; Michie, C.; Andonovic, I.; Sefcik, J., Effect of oscillatory flow conditions on crystalliser fouling investigated through non-invasive imaging. Chem Eng Sci 2021, 117188. https://doi.org/10.1016/j.ces.2021.117188
Stranzinger, S.; Markl, D.; Khinast, J. G.; Paudel, A., Review of sensing technologies for measuring powder density variations during pharmaceutical solid dosage form manufacturing. TrAC Trends in Analytical Chemistry 2021, 135, 116147. https://doi.org/10.1016/j.trac.2020.116147
Urwin, S. J.; Yerdelen, S.; Houson, I.; ter Horst, J. H., Impact of Impurities on Crystallization and Product Quality: A Case Study with Paracetamol. Crystals 2021, 11 (11), 1344. https://doi.org/10.3390/cryst11111344
Verma, L.; Warzecha, M.; Chakrabarti, R.; Hadjiev, V. G.; Palmer, J. C.; Vekilov, P. G., How to Identify the Crystal Growth Unit. Israel Journal of Chemistry 2021, 61 (11-12), 818-827. https://doi.org/10.1002/ijch.202100081
Warzecha, M.; Florence, A. J.; Vekilov, P. G., The Ambiguous Functions of the Precursors That Enable Nonclassical Modes of Olanzapine Nucleation and Growth. Crystals 2021, 11 (7), 738. https://doi.org/10.3390/cryst11070738
Watson, O. L.; Jonuzaj, S.; McGinty, J.; Sefcik, J.; Galindo, A.; Jackson, G.; Adjiman, C. S., Computer Aided Design of Solvent Blends for Hybrid Cooling and Antisolvent Crystallization of Active Pharmaceutical Ingredients. Organic Process Research & Development 2021, 25 (5), 1123-1142. https://doi.org/10.1021/acs.oprd.0c00516
Yang, Y.; Ahmed, B.; Mitchell, C.; Quon, J. L.; Siddique, H.; Houson, I.; Florence, A. J.; Papageorgiou, C. D., Investigation of Wet Milling and Indirect Ultrasound as Means for Controlling Nucleation in the Continuous Crystallization of an Active Pharmaceutical Ingredient. Organic Process Research & Development 2021 , 25 (9), 2119-2132. https://doi.org/10.1021/acs.oprd.1c00209
2020
Al-Ani, A. J.; Herdes, C.; Wilson, C. C.; Castro-Dominguez, B., Engineering a New Access Route to Metastable Polymorphs with Electrical Confinement. Crystal Growth & Design 2020, 20 (3), 1451-1457. https://doi.org/10.1021/acs.cgd.9b01100
Al-Madhagi, L. H.; Callear, S. K.; Schroeder, S. L. M., Hydrophilic and hydrophobic interactions in concentrated aqueous imidazole solutions: a neutron diffraction and total X-ray scattering study. Physical Chemistry Chemical Physics 2020, 22 (9), 5105-5113. https://doi.org/10.1039/C9CP05993H
Al-Sharabi, M.; Markl, D.; Mudley, T.; Bawuah, P.; Karttunen, A.-P.; Ridgway, C.; Gane, P.; Ketolainen, J.; Peiponen, K.-E.; Rades, T.; Zeitler, J. A., Simultaneous investigation of the liquid transport and swelling performance during tablet disintegration. International Journal of Pharmaceutics 2020, 584, 119380.https://doi.org/10.1016/j.ijpharm.2020.119380
Almeida, J.; Bezerra, M.; Markl, D.; Berghaus, A.; Borman, P.; Schlindwein, W., Development and Validation of an in-line API Quantification Method Using AQbD Principles Based on UV-Vis Spectroscopy to Monitor and Optimise Continuous Hot Melt Extrusion Process. Pharmaceutics 2020 , 12 (2), 150. https://doi.org/10.3390/pharmaceutics12020150
Bawuah, P.; Markl, D.; Farrell, D.; Evans, M.; Portieri, A.; Anderson, A.; Goodwin, D.; Lucas, R.; Zeitler, J. A., Terahertz-Based Porosity Measurement of Pharmaceutical Tablets: a Tutorial. Journal of Infrared, Millimeter, and Terahertz Waves 2020, 41 (4), 450-469. https://doi.org/10.1007/s10762-019-00659-0
Bebiano, S. S.; Ter Horst, J. H.; Oswald, I. D. H., Effect of Chirality on the Compression of 2-(2-Oxo-1-pyrrolidinyl)butyramide: A Tale of Two Crystals. Cryst Growth Des 2020, 20 (10), 6731-6744. https://doi.org/10.1021/acs.cgd.0c00871
Das, G.; Pallipurath, A.; Leng, J.; Wanelik, K.; McGinty, J.; Miller, R.; Kathyola, T.; Chang, S.-Y.; Al-Madhagi, L. H.; Marathae, S.; Rau, C.; Sefcik, J.; L.M. Schroeder, S., Time-Resolved X-ray Phase-Contrast Imaging (XPCI) of Nucleation and Crystal Growth in the Anti-Solvent Crystallization of Lovastatin. ChemRxiv. Cambridge: Cambridge Open Engage This content is a preprint and has not been peer-reviewed. 2020. https://doi.org/10.26434/chemrxiv.12911168.v1
Doerr, F. J. S.; Burns, L. J.; Lee, B.; Hinds, J.; Davis-Harrison, R. L.; Frank, S. A.; Florence, A. J., Peptide Isolation via Spray Drying: Particle Formation, Process Design and Implementation for the Production of Spray Dried Glucagon. Pharmaceutical Research 2020, 37 (12), 255. https://doi.org/10.1007/s11095-020-02942-5
Doerr, F. J. S.; Florence, A. J., A micro-XRT image analysis and machine learning methodology for the characterisation of multi-particulate capsule formulations. International Journal of Pharmaceutics: X 2020, 2, 100041. https://doi.org/10.1016/j.ijpx.2020.100041
Ferreira, C.; Cardona, J.; Agimelen, O.; Tachtatzis, C.; Andonovic, I.; Sefcik, J.; Chen, Y.-C., Quantification of particle size and concentration using in-line techniques and multivariate analysis. Powder Technology 2020, 376, 1-11. https://doi.org/10.1016/j.powtec.2020.08.015
Geyman, C., Settanni, E., Srai, J.S., Understanding risk in pharmaceutical supply chains. 2020. https://www.ifm.eng.cam.ac.uk/research/cim/resources/
Haslam, A. J.; González-Pérez, A.; Di Lecce, S.; Khalit, S. H.; Perdomo, F. A.; Kournopoulos, S.; Kohns, M.; Lindeboom, T.; Wehbe, M.; Febra, S.; Jackson, G.; Adjiman, C. S.; Galindo, A., Expanding the Applications of the SAFT-γ Mie Group-Contribution Equation of State: Prediction of Thermodynamic Properties and Phase Behavior of Mixtures. Journal of Chemical & Engineering Data 2020, 65 (12), 5862-5890. https://doi.org/10.1021/acs.jced.0c00746
Hatcher, L. E.; Burgess, A. J.; Payne, P.; Wilson, C. C., From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC workflows. CrystEngComm 2020. https://doi.org/10.1039/D0CE00898B
Hatcher, L. E.; Li, W.; Payne, P.; Benyahia, B.; Rielly, C. D.; Wilson, C. C., Tuning Morphology in Active Pharmaceutical Ingredients: Controlling the Crystal Habit of Lovastatin through Solvent Choice and Non-Size-Matched Polymer Additives. Crystal Growth & Design 2020, 20 (9), 5854-5862. https://doi.org/10.1021/acs.cgd.0c00470
Jonuzaj, S.; Watson, O. L.; Ottoboni, S.; Price, C. J.; Sefcik, J.; Galindo, A.; Jackson, G.; Adjiman, C. S., Computer-aided Solvent Mixture Design for the Crystallisation and Isolation of Mefenamic Acid. In Computer Aided Chemical Engineering, Pierucci, S.; Manenti, F.; Bozzano, G. L.; Manca, D., Eds. Elsevier: 2020; Vol. 48, pp 649-654. https://doi.org/10.1016/B978-0-12-823377-1.50109-9
Lakerveld, R.; Benyahia, B., CHAPTER 4 Process Control. In The Handbook of Continuous Crystallization, The Royal Society of Chemistry: 2020; pp 172-218. https://doi.org/10.1039/9781788013581-00172
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Majchrzak, A., Netland, N., Srai, J.S., Innovation in next generation production platforms, 2020 https://www.weforum.org/whitepapers/innovation-in-next-generation-production-platforms.
Markl, D.; Warman, M.; Dumarey, M.; Bergman, E.-L.; Folestad, S.; Shi, Z.; Manley, L. F.; Goodwin, D. J.; Zeitler, J. A., Review of real-time release testing of pharmaceutical tablets: State-of-the art, challenges and future perspective. International Journal of Pharmaceutics 2020, 582, 119353. https://doi.org/10.1016/j.ijpharm.2020.119353
McGinty, J.; Chong, M. W. S.; Manson, A.; Brown, C. J.; Nordon, A.; Sefcik, J., Effect of Process Conditions on Particle Size and Shape in Continuous Antisolvent Crystallisation of Lovastatin. Crystals 2020, 10 (10), 925. https://doi.org/10.3390/cryst10100925
McGinty, J.; Yazdanpanah, N.; Price, C.; ter Horst, J. H.; Sefcik, J., CHAPTER 1 Nucleation and Crystal Growth in Continuous Crystallization. In The Handbook of Continuous Crystallization, The Royal Society of Chemistry: 2020; pp 1-50. https://doi.org/
McKechnie, D.; Anker, S.; Zahid, S.; Mulheran, P. A.; Sefcik, J.; Johnston, K., Interfacial Concentration Effect Facilitates Heterogeneous Nucleation from Solution. The Journal of Physical Chemistry Letters 2020, 11 (6), 2263-2271. https://doi.org/10.1021/acs.jpclett.0c00540
Naftaly, M.; Tikhomirov, I.; Hou, P.; Markl, D., Measuring Open Porosity of Porous Materials Using THz-TDS and an Index-Matching Medium. Sensors 2020, 20 (11), 3120.https://doi.org/10.3390/s20113120
Onyemelukwe, I. I.; Nagy, Z. K.; Rielly, C. D., Solid-liquid axial dispersion performance of a mesoscale continuous oscillatory flow crystalliser with smooth periodic constrictions using a non-invasive dual backlit imaging technique. Chemical Engineering Journal 2020, 382, 122862. https://doi.org/10.1016/j.cej.2019.122862
Ottoboni, S.; Coleman, S. J.; Steven, C.; Siddique, M.; Fraissinet, M.; Joannes, M.; Laux, A.; Barton, A.; Firth, P.; Price, C. J.; Mulheran, P. A., Understanding API Static Drying with Hot Gas Flow: Design and Test of a Drying Rig Prototype and Drying Modeling Development. Organic Process Research & Development 2020. https://doi.org/10.1039/9781788013581-00001
Ottoboni, S.; Shahid, M.; Steven, C.; Coleman, S.; Meehan, E.; Barton, A.; Firth, P.; Sutherland, R.; Price, C. J., Developing a Batch Isolation Procedure and Running It in an Automated Semicontinuous Unit: AWL CFD25 Case Study. Organic Process Research & Development 2020, 24 (4), 520-539. https://doi.org/10.1021/acs.oprd.9b00512
Ottoboni, S.; Simurda, M.; Wilson, S.; Irvine, A.; Ramsay, F.; Price, C. J., Understanding effect of filtration and washing on dried product: Paracetamol case study. Powder Technology 2020. https://doi.org/10.1016/j.powtec.2020.02.064
Pallipurath, A. R.; Flandrin, P.-B.; Wayment, L. E.; Wilson, C. C.; Robertson, K., In situ non-invasive Raman spectroscopic characterisation of succinic acid polymorphism during segmented flow crystallisation. Molecular Systems Design & Engineering 2020, 5 (1), 294-303. https://doi.org/10.1039/C9ME00103D
Perge, L.; Grols, J.; Segura, D. F.; Al-Ani, A.; Wilkinson, M.; Castro-Dominguez, B., Concurrent Antisolvent Electrospraying: A Novel Continuous Crystallization Technique. J Pharm Sci 2020, 109 (10), 3027-3034. https://doi.org/10.1016/j.xphs.2020.06.023
Prasad, E.; Robertson, J.; Halbert, G. W., Improving Consistency for a Mefenamic Acid Immediate Release Formulation. Journal of Pharmaceutical Sciences 2020, 109 (11), 3462-3470. https://doi.org/10.1016/j.xphs.2020.08.012
Price, C. J.; Barton, A.; Coleman, S. J., CHAPTER 13 Continuous Isolation of Active Pharmaceutical Ingredients. In The Handbook of Continuous Crystallization, The Royal Society of Chemistry: 2020; pp 469-507. https://doi.org/10.1039/9781788013581-00469
Ramakers, L. A. I.; McGinty, J.; Beckmann, W.; Levilain, G.; Lee, M.; Wheatcroft, H.; Houson, I.; Sefcik, J., Investigation of Metastable Zones and Induction Times in Glycine Crystallisation across Three Different Antisolvents. Crystal Growth & Design 2020. https://doi.org/10.1021/acs.cgd.9b01493
Raval, V.; Siddique, H.; Brown, C. J.; Florence, A. J., Development and characterisation of a cascade of moving baffle oscillatory crystallisers (CMBOC). CrystEngComm 2020, 22 (13), 2288-2296. https://doi.org/10.1039/D0CE00069H
Reed, B. P.; Cant, D. J. H.; Spencer, S. J.; Carmona-Carmona, A. J.; Bushell, A.; Herrera-Gómez, A.; Kurokawa, A.; Thissen, A.; Thomas, A. G.; Britton, A. J.; Bernasik, A.; Fuchs, A.; Baddorf, A. P.; Bock, B.; Theilacker, B.; Cheng, B.; Castner, D. G.; Morgan, D. J.; Valley, D.; Willneff, E. A.; Smith, E. F.; Nolot, E.; Xie, F.; Zorn, G.; Smith, G. C.; Yasufuku, H.; Fenton, J. L.; Chen, J.; Counsell, J. D. P.; Radnik, J.; Gaskell, K. J.; Artyushkova, K.; Yang, L.; Zhang, L.; Eguchi, M.; Walker, M.; Hajdyła, M.; Marzec, M. M.; Linford, M. R.; Kubota, N.; Cortazar-Martínez, O.; Dietrich, P.; Satoh, R.; Schroeder, S. L. M.; Avval, T. G.; Nagatomi, T.; Fernandez, V.; Lake, W.; Azuma, Y.; Yoshikawa, Y.; Shard, A. G., Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene. J Vac Sci Technol A 2020, 38 (6), 063208. https://doi.org/10.1116/6.0000577
Settanni, E., Those who do not move, do not notice their (supply) chains-inconvenient lessons from disruptions related to COVID-19. AI Soc 2020, 1-7. https://doi.org/10.1007/s00146-020-00988-y
Settanni, E.; Heijungs, R.; Srai, J., Where have all the equations gone? The forgotten algebra of qualitative structural modelling. SSRN Electronic Journal 2020. https://doi.org/10.2139/ssrn.3622934
Soundaranathan, M.; Vivattanaseth, P.; Walsh, E.; Pitt, K.; Johnston, B.; Markl, D., Quantification of swelling characteristics of pharmaceutical particles. International Journal of Pharmaceutics 2020 , 590, 119903. https://doi.org/10.1016/j.ijpharm.2020.119903
Srai J.S., Settanni. E., Aulakh P.K., Evaluating the Business Case for Continuous Manufacturing of Pharmaceuticals: A Supply Network Perspective. In: Nagy Z., El Hagrasy A., Litster J. (eds) Continuous Pharmaceutical Processing. AAPS Advances in the Pharmaceutical Sciences Series 2020, 42. https://link.springer.com/chapter/10.1007%2F978-3-030-41524-2_14
Srirambhatla, V. K.; Guo, R.; Dawson, D. M.; Price, S. L.; Florence, A. J., Reversible, Two-Step Single-Crystal to Single-Crystal Phase Transitions between Desloratadine Forms I, II, and III. Crystal Growth & Design 2020, 20 (3), 1800-1810. https://doi.org/10.1021/acs.cgd.9b01522
Stevens, J. S.; Coultas, S.; Jaye, C.; Fischer, D. A.; Schroeder, S. L. M., Core level spectroscopies locate hydrogen in the proton transfer pathway – identifying quasi-symmetrical hydrogen bonds in the solid state. Physical Chemistry Chemical Physics 2020, 22 (9), 4916-4923. https://doi.org/10.1039/C9CP05677G
Urwin, S. J.; Levilain, G.; Marziano, I.; Merritt, J. M.; Houson, I.; Ter Horst, J. H., A Structured Approach To Cope with Impurities during Industrial Crystallization Development. Organic Process Research & Development 2020, 24 (8), 1443-1456.https://pubs.acs.org/doi/10.1021/acs.oprd.0c00166
Ward, M. R.; Oswald, L. D. H., Hidden Solvates and Transient Forms of Trimesic Acid. Crystals 2020, 10 (12), 1098. https://doi.org/10.3390/cryst10121098
Warzecha, M.; Verma, L.; Johnston, B. F.; Palmer, J. C.; Florence, A. J.; Vekilov, P. G., Olanzapine crystal symmetry originates in preformed centrosymmetric solute dimers. Nature Chemistry 2020 , 12 (10), 914-920. https://doi.org/10.1038/s41557-020-0542-0
2019
Ahmed, B.; Brown, C. J.; McGlone, T.; Bowering, D. L.; Sefcik, J.; Florence, A. J., Engineering of acetaminophen particle attributes using a wet milling crystallisation platform. 2019, 554, 201-211. https://doi.org/10.1016/j.ijpharm.2018.10.073
Arjmandi-Tash, O.; Tew, J. D.; Pitt, K.; Smith, R.; Litster, J. D., A new mathematical model for nucleation of spherical agglomerates by the immersion mechanism. Chemical Engineering Science: X 2019, 4, 100048 https://doi.org/10.1016/j.cesx.2019.100048
Bordos, E.; Islam, M. T.; Florence, A. J.; Halbert, G. W.; Robertson. Use of Terahertz-Raman Spectroscopy to Determine Solubility of the Crystalline Active Pharmaceutical Ingredient in Polymeric Matrices during Hot Melt Extrusion J. Molecular Pharmaceutics 2019, 16, 4361. https://doi.org/10.1021/acs.molpharmaceut.9b00703
Briuglia, M. L.; Sefcik, J.; ter Horst, J. H., Measuring Secondary Nucleation through Single Crystal Seeding. Crystal Growth & Design 2019, 19 (1), 421-429. https://doi.org/10.1021/acs.cgd.8b01515
Chang, S. Y.; Kathyola, T. A.; Willneff, E. A.; Willis, C. J.; Wilson, P.; Dowding, P. J.; Cibin, G.; Kroner, A. B.; Shotton, E. J.; Schroeder, S. L. M., A versatile liquid-jet/sessile droplet system for operando studies of reactions in liquid dispersions and solutions by X-ray absorption spectroscopy. Reaction Chemistry & Engineering 2019, 4 (4), 679-687. https://doi.org/10.1039/C8RE00207J
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Dunn, A. S.; Svoboda, V.; Sefcik, J.; ter Horst. Resolution control in a continuous preferential crystallization process. Organic Process Research & Development, 2019 23 (9), 2031-2041. https://doi.org/10.1021/acs.oprd.9b00275
Edinger, M.; Iftimi, L.-D.; Markl, D.; Al-Sharabi, M.; Bar-Shalom, D.; Rantanen, J.; Genina, N., Quantification of Inkjet-Printed Pharmaceuticals on Porous Substrates Using Raman Spectroscopy and Near-Infrared Spectroscopy. AAPS PharmSciTech 2019, 20, 207. https://doi.org/10.1208/s12249-019-1423-y
Febra, S. A.; Aasen, A.; Adjiman, C. S.; Jackson, G.; Galindo, A., Intramolecular bonding in a statistical associating fluid theory of ring aggregates. Molecular Physics 2019, 1-29. https://doi.org/10.1080/00268976.2019.1671619
Fysikopoulos, D.; Benyahia, B.; Borsos, A.; Nagy, Z. K.; Rielly, C. D., A framework for model reliability and estimability analysis of crystallization processes with multi-impurity multi-dimensional population balance models. Computers & Chemical Engineering 2019, 122, 275-292. https://doi.org/10.1016/j.compchemeng.2018.09.007
Jiang, M.; Ni, X.-W., Reactive Crystallization of Paracetamol in a Continuous Oscillatory Baffled Reactor. Organic Process Research & Development 2019, 23, 882-890. https://doi.org/10.1016/j.ijpharm.2018.12.052
Jiang, M.; Ni, X.-W., Effects of solvents and impurity on crystallization kinetics and crystal properties in a reactive crystallization of paracetamol. Journal of Crystal Growth 2019, 523, 125150. https://doi.org/10.1016/j.jcrysgro.2019.125150
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Konar, S.; Michalchuk, A. A. L.; Sen, N.; Bull, C. L.; Morrison, C. A.; Pulham, C. R., High-Pressure Study of Two Polymorphs of 2,4,6-Trinitrotoluene Using Neutron Powder Diffraction and Density Functional Theory Methods. The Journal of Physical Chemistry C 2019, 123 (43), 26095-26105. https://doi.org/10.1021/acs.jpcc.9b07658
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Mendez Torrecillas, C.; Gorringe, L. J.; Rajoub, N.; Robertson, J.; Elkes, R. G.; Lamprou, D. A.; Halbert, G. W., The impact of channel fill level on internal forces during continuous twin screw wet granulation. International journal of pharmaceutics 2019, 558, 91-100. https://doi.org/10.1016/j.ijpharm.2018.12.052
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Onyemelukwe, I. I.; Parsons, A. R.; Wheatcroft, H. P.; Robertson, A.; Nagy, Z. K.; Rielly, C. D., The Role of Residence Time Distribution in the Continuous Steady-State Mixed Suspension Mixed Product Removal Crystallization of Glycine. Crystal Growth & Design 2019, 19, 66-80. https://pubs.acs.org/doi/10.1021/acs.cgd.8b00853
Prasad, E.; Islam, M. T.; Goodwin, D. J.; Megarry, A. J.; Halbert, G. W.; Florence, A. J.; Robertson, J., Development of a hot-melt extrusion (HME) process to produce drug loaded Affinisol™ 15LV filaments for fused filament fabrication (FFF) 3D printing. Additive Manufacturing 2019, 29, 100776. https://doi.org/10.1016/j.addma.2019.06.027
Rau, C.; Storm, M.; Marathe, S.; Bodey, A.; Zdora, M.; Cipiccia, S.; Batey, D.; Shi, X.; Schroeder, S. M. L.; Das, G.; Loveridge, M.; Ziesche, R.; Connolly, B., Fast Multi-scale imaging using the Beamline I13L at the Diamond Light Source. SPIE: 2019; Vol. 11113. https://doi.org/10.1117/12.2543405
Srai, J.S., The role of collaborative e-sourcing in supply chain digitalization scenarios: A gamification-enabled structural model. 2019.
Srai, J. S. Badman, C., Collaboration as the Best Medicine. Chimica Oggi-Chemistry Today 2019, 37 (1), 56-59. https://www.teknoscienze.com/tks_article/collaboration-as-the-best-medicine/
Srai, J. S. S., E.; Tsolakis, N.; Aulakh, P. K. , Supply Chain Digital Twins: Opportunities and Challenges Beyond the Hype 23rd Cambridge International Manufacturing Symposium University of Cambridge, 26 – 27 September 2019. https://www.repository.cam.ac.uk/bitstream/handle/1810/298842/Supply%20chain%20digital%20twins.pdf?sequence=1&isAllowed=y
Stranzinger, S.; Faulhammer, E.; Li, J.; Dong, R.; Khinast, J. G.; Zeitler, J. A.; Markl, D., Measuring bulk density variations in a moving powder bed via terahertz in-line sensing. Powder Technology 2019, 344, 152-160. https://doi.org/10.1016/j.powtec.2018.11.106
Tahir, F.; Islam, M. T.; Mack, J.; Robertson, J.; Lovett, D., Process monitoring and fault detection on a hot-melt extrusion process using in-line Raman spectroscopy and a hybrid soft sensor. Computers & Chemical Engineering 2019, 125, 400-414. https://doi.org/10.1016/j.compchemeng.2019.03.019
Turner, T. D.; Hatcher, L. E.; Wilson, C. C.; Roberts, K. J., Habit Modification of the Active Pharmaceutical Ingredient Lovastatin Through a Predictive Solvent Selection Approach. J Pharm Sci 2019, 108 (5), 1779-1787. https://doi.org/10.1016/j.xphs.2018.12.012
Vesga, M. J.; McKechnie, D.; Mulheran, P. A.; Johnston, K.; Sefcik, J., Conundrum of γ glycine nucleation revisited: to stir or not to stir? CrystEngComm 2019, 21, 2234-2243. https://doi.org/10.1039/C8CE01829D
Ward, M. R.; Oswald, I. D. H., Antisolvent addition at extreme conditions. CrystEngComm 2019. https://doi.org/10.1039/C9CE00365G
Watson, O. L.; Galindo, A.; Jackson, G.; Adjiman, C. S., Computer-aided Design of Solvent Blends for the Cooling and Anti-solvent Crystallisation of Ibuprofen. In Computer Aided Chemical Engineering, Kiss, A. A.; Zondervan, E.; Lakerveld, R.; Özkan, L., Eds. Elsevier: 2019; Vol. 46, pp 949-954 https://doi.org/10.1016/B978-0-12-818634-3.50159-4
Wongpinyochit, T.; Vassileiou, A. D.; Gupta, S.; Mushrif, S. H.; Johnston, B. F.; Seib, F. P., Unraveling the Impact of High-Order Silk Structures on Molecular Drug Binding and Release Behaviors. The Journal of Physical Chemistry Letters 2019, 10 (15), 4278-4284. https://doi.org/10.1021/acs.jpclett.9b01591
Xiouras, C.; Belletti, G.; Venkatramanan, R.; Nordon, A.; Meekes, H.; Vlieg, E.; Stefanidis, G. D.; Ter Horst, J. H., Toward Continuous Deracemization via Racemic Crystal Transformation Monitored by in Situ Raman Spectroscopy. Crystal Growth & Design 2019, 19 (10), 5858-5868. https://doi.org/10.1021/acs.cgd.9b00867
Zimbitas, G.; Jawor-Baczynska, A.; Vesga, M. J.; Javid, N.; Moore, B. D.; Parkinson, J.; Sefcik, J. Investigation of molecular and mesoscale clusters in undersaturated glycine aqueous solutions. Colloids and Surfaces A, 2019 579, 123633. https://doi.org/10.1016/j.colsurfa.2019.123633
2018
Agimelen, O. S.; Svoboda, V.; Ahmed, B.; Cardona, J.; Dziewierz, J.; Brown, C. J.; McGlone, T.; Cleary, A.; Tachtatzis, C.; Michie, C.; Florence, A. J.; Andonovic, I.; Mulholland, A. J.; Sefcik, J., Multi-sensor inline measurements of crystal size and shape distributions during high shear wet milling of crystal slurries. Advanced Powder Technology 2018, 29, 2987-2995. https://doi.org/10.1016/j.apt.2018.09.003
Al-Madhagi, L. H.; Chang, S.-Y.; Balasubramanian, M.; Kroner, A. B.; Shotton, E. J.; Willneff, E. A.; Mishra, B.; Schroeder, S. L. M., X-ray Raman scattering: a new in situ probe of molecular structure during nucleation and crystallization from liquid solutions. CrystEngComm 2018, 20 (43), 6871-6884. https://doi.org/10.1039/C8CE00929E
Bhardwaj, R. M.; Reutzel-Edens, S. M.; Johnston, B. F.; Florence, A. J., A random forest model for predicting crystal packing of olanzapine solvates. CrystEngComm 2018, 20, 3947-3950. https://doi.org/10.1039/C8CE00261D
Bouvart, N.; Palix, R.-M.; Arkhipov, S. G.; Tumanov, I. A.; Michalchuk, A. A. L.; Boldyreva, E. V., Polymorphism of chlorpropamide on liquid-assisted mechanical treatment: choice of liquid and type of mechanical treatment matter. CrystEngComm 2018. DOI: 10.1039/C7ME00096K
Brown, C. J.; McGlone, T.; Yerdelen, S.; Srirambhatla, V.; Mabbott, F.; Gurung, R.; L. Briuglia, M.; Ahmed, B.; Polyzois, H.; McGinty, J.; Perciballi, F.; Fysikopoulos, D.; MacFhionnghaile, P.; Siddique, H.; Raval, V.; Harrington, T. S.; Vassileiou, A. D.; Robertson, M.; Prasad, E.; Johnston, A.; Johnston, B.; Nordon, A.; Srai, J. S.; Halbert, G.; ter Horst, J. H.; Price, C. J.; Rielly, C. D.; Sefcik, J.; Florence, A. J., Enabling precision manufacturing of active pharmaceutical ingredients: workflow for seeded cooling continuous crystallisations. Molecular Systems Design & Engineering 2018. DOI: 10.1039/C7ME00096K
Burcham, C. L.; Florence, A. J.; Johnson, M. D., Continuous Manufacturing in Pharmaceutical Process Development and Manufacturing. Annual Review of Chemical and Biomolecular Engineering 2018, 9, 253-281. https://doi.org/10.1146/annurev-chembioeng-060817-084355
Cardona, J.; Ferreira, C.; McGinty, J.; Hamilton, A.; Agimelen, O. S.; Cleary, A.; Atkinson, R.; Michie, C.; Marshall, S.; Chen, Y.-C.; Sefcik, J.; Andonovic, I.; Tachtatzis, C., Image analysis framework with focus evaluation for in situ characterisation of particle size and shape attributes. Chemical Engineering Science 2018, 191, 208-231. https://doi.org/10.1016/j.ces.2018.06.067
Case, D. H.; Srirambhatla, V. K.; Guo, R.; Watson, R. E.; Price, L. S.; Polyzois, H.; Cockcroft, J. K.; Florence, A. J.; Tocher, D. A.; Price, S. L., Successful Computationally Directed Templating of Metastable Pharmaceutical Polymorphs. Crystal Growth & Design 2018, 18, 5322-5331. DOI: 10.1021/acs.cgd.8b00765
Doerr, F. J. S.; Oswald, I. D. H.; Florence, A. J., Quantitative investigation of particle formation of a model pharmaceutical formulation using single droplet evaporation experiments and X-ray tomography. Advanced Powder Technology 2018. DOI: 10.1016/j.apt.2018.09.027
Forbes, C.; Nguyen, T.T.H; O'Leary, R.L.; Price, C.J., Elucidating the mechanism of paracetamol sonocrystallization for product purity enhancement. Proceedings of Meetings on Acoustics, 2018 32, ICU2017 - 287. https://asa.scitation.org/doi/abs/10.1121/2.0000739
Harrington, T. S.; Burge, T. A., Connecting digital pharma and e-healthcare value networks through product-service design: a conceptual model. International Journal of Electronic Healthcare 2018, 10 (1-2), 96-129. https://doi.org/10.1504/IJEH.2018.092177
Harrington, T. S.; Srai, J. S.; Najim, I., Emerging product-process archetypes in oncology: informing the sustainable provision of next-generation medicines. International Journal of Healthcare Technology and Management 2018, 17 (2-3), 97-127. https://doi.org/10.1504/Ijhtm.2018.098367
Hatcher, L.; CCDC 1829765: Experimental Crystal Structure Determination, 2018, DOI: 10.5517/ccdc.csd.cc1zf0p3
Jiang, M.; Ni, X.-W., Effects of water and temperature on reaction mechanism and crystal properties in a reactive crystallization of paracetamol. Chemical Engineering and Processing - Process Intensification 2018, 131, 20-26. https://doi.org/10.1016/j.cep.2018.07.006
Jimeno, G.; Lee, Y. C.; Ni, X.-W., On the evaluation of power density models for oscillatory baffled reactors using CFD. Chemical Engineering and Processing - Process Intensification 2018, 134, 153-162. DOI: 10.1016/j.cep.2018.11.002 https://doi.org/10.1016/j.cep.2018.11.002
Kathyola, T., In situ monitoring of the reactive crystallization of calcium carbonate in multiphase systems. In 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, Abstracts of Papers Of The American Chemical Society: 2018; Vol. 255.
Kongsamai, P.; Flood, C.; ter Horst, J. H.; Flood, A. E., Particle Size Distributions and Performance of Preferential Crystallization of L-Asparagine·H2O with Tailor-Made Additives. Chemical Engineering & Technology 2018, 41 (6), 1173-1179. https://doi.org/10.1002/ceat.201700668
Laskar, P.; Somani, S.; Altwaijry, N.; Mullin, M.; Bowering, D.; Warzecha, M.; Keating, P.; Tate, R. J.; Leung, H. Y.; Dufès, C., Redox-sensitive, cholesterol-bearing PEGylated poly(propylene imine)-based dendrimersomes for drug and gene delivery to cancer cells. Nanoscale 2018, 10 (48), 22830-22847. https://doi.org/10.1039/C8NR08141G
Lin, H.; Zhang, Z.; Markl, D.; Zeitler, J. A.; Shen, Y., A Review of the Applications of OCT for Analysing Pharmaceutical Film Coatings. Applied Sciences 2018, 8, 2700. DOI: 10.3390/app8122700 https://doi.org/10.3390/app8122700
McLaughlin, A,M.; Robertson, J.; Ni, X., Material characterisation and parameter effects on bulk solid dissolution rate of paracetamol in a stirred tank vessel using an in situ UV-ATR probe. International Journal of Engineering Research & Science. 2018, 4(1):10-20.
Michalchuk, A. A. L.; Hope, K. S.; Kennedy, S. R.; Blanco, M.; Boldyreva, E.; Pulham, C. R., Ball-Free Mechanochemistry: In Situ Real-Time Monitoring of Pharmaceutical Co-Crystal Synthesis by Resonant Acoustic Mixing. Chemical Communications 2018. https://doi.org/10.1039/C8CC02187B
Michalchuk, A. A. L.; Fincham, P. T.; Portius, P.; Pulham, C. R.; Morrison, C. A., A Pathway to the Athermal Impact Initiation of Energetic Azides. The Journal of Physical Chemistry C 2018, 122, 19395-19408. https://doi.org/10.1021/acs.jpcc.8b05285
Michalchuk, A. A. L.; Rudić, S.; Pulham, C. R.; Morrison, C. A., Vibrationally induced metallisation of the energetic azide α-NaN3. Physical Chemistry Chemical Physics 2018, 20 (46), 29061-29069. https://doi.org/10.1039/C8CP06161K
Michalchuk, A. A. L.; Tumanov, I. A.; Boldyreva, E. V., The effect of ball mass on the mechanochemical transformation of a single-component organic system: anhydrous caffeine. Journal of Materials Science 2018, 53 (19), 13380-13389. https://doi.org/10.1007/s10853-018-2324-2
Neugebauer, P.; Cardona, J.; Besenhard, M. O.; Peter, A.; Gruber-Woelfler, H.; Tachtatzis, C.; Cleary, A.; Andonovic, I.; Sefcik, J.; Khinast, J. G., Crystal Shape Modification via Cycles of Growth and Dissolution in a Tubular Crystallizer. Crystal Growth & Design 2018. DOI: 10.1021/acs.cgd.8b00371
Onyemelukwe, I. I.; Benyahia, B.; Reis, N. M.; Nagy, Z. K.; Rielly, C. D., The heat transfer characteristics of a mesoscale continuous oscillatory flow crystalliser with smooth periodic constrictions. International Journal of Heat and Mass Transfer 2018, 123, 1109-1119. DOI: 10.1016/j.ijheatmasstransfer.2018.03.015
Onyemelukwe, I.I.; Parsons, A.R.; Wheatcroft, H.P.; Robertson, A.; Nagy, Z.K.; Rielly, C.D. The role of residence time distribution in the continuous steady-state MSMPR crystallization of glycine. Crystal Growth & Design 2018, DOI: 10.1021/acs.cgd.8b00853
Ottoboni, S.; Chrubasik, M.; Mir Bruce, L.; Nguyen, T. T. H.; Robertson, M.; Johnston, B.; Oswald, I. D. H.; Florence, A.; Price, C., Impact of Paracetamol Impurities on Face Properties: Investigating the Surface of Single Crystals Using TOF-SIMS. Crystal Growth & Design 2018, 18, 2750-2758. DOI: 10.1021/acs.cgd.7b01411
Ottoboni, S.; Price, C. J.; Steven, C.; Meehan, E.; Barton, A.; Firth, P.; Mitchell, A.; Tahir, F., Development of a Novel Continuous Filtration Unit for Pharmaceutical Process Development and Manufacturing. Journal of pharmaceutical sciences 2018. DOI: 10.1016/j.xphs.2018.07.005
Parekh, R.; Benyahia, B.; Rielly, C. D., A Global State Feedback Linearization and Decoupling MPC of a MIMO Continuous MSMPR Cooling Crystallization Process. In Computer Aided Chemical Engineering, Friedl, A.; Klemeš, J. J.; Radl, S.; Varbanov, P. S.; Wallek, T., Eds. Elsevier: 2018; Vol. 43, pp 1607-1612. https://doi.org/10.1016/B978-0-444-64235-6.50280-1
Phillips, M. A.; Srai, J. S., Exploring Emerging Ecosystem Boundaries: Defining ‘The Game’. International Journal of Innovation Management 2018, 22 (08), 1840012. https://doi.org/10.1142/s1363919618400121
Pitt, K.; Peña, R.; Tew, J. D.; Pal, K.; Smith, R.; Nagy, Z. K.; Litster, J. D., Particle design via spherical agglomeration: A critical review of controlling parameters, rate processes and modelling. Powder Technology 2017. https://doi.org/10.1016/j.powtec.2017.11.052
Scott, C. D.; Labes, R.; Depardieu, M.; Battilocchio, C.; Davidson, M. G.; Ley, S. V.; Wilson, C. C.; Robertson, K., Integrated plug flow synthesis and crystallisation of pyrazinamide. Reaction Chemistry & Engineering 2018, 3, 631-634. DOI: 10.1039/C8RE00087E
Settanni, E., Srai, J., & Kothapalli, V. M. , Combining field data analysis and simulation to evaluate an alternative Just-In-Time clinical trial supply strategy. 22nd Cambridge International Manufacturing Symposium. 2018. https://doi.org/10.17863/CAM.33388
Settanni, E.S.; Srai, J., Digitalisation of the UK Manufacturing Economy: Structural Dependencies and Implications for Intervention Strategies. SSRN Electronic Journal, 2018. https://doi.org/10.2139/ssrn.3292258
Settanni, E. S., Srai J., Towards a new approach to modelling pharmaceutical supply chains in a changing technological landscape. Pharma Horizon 2018, 2 (1), 26-28. https://www.teknoscienze.com/tks_article/towards-a-new-approach-to-modelling-pharmaceutical-supply-chains-in-a-changing-technological-landscape/
Settanni, E., Srai, J., & Kothapalli, V. M. Combining field data analysis and simulation to evaluate an alternative Just-In-Time clinical trial supply strategy. 22nd Cambridge International Manufacturing Symposium. https://doi.org/10.17863/CAM.33388
Steendam, R. R. E.; ter Horst, J. H., Scaling Up Temperature Cycling-Induced Deracemization by Suppressing Nonstereoselective Processes. Crystal Growth & Design 2018, 18, 3008-3015. https://doi.org/10.1021/acs.cgd.8b00121
Tsolakis, N.; Srai, J. S., Mapping supply dynamics in renewable feedstock enabled industries: A systems theory perspective on "green' pharmaceuticals. Operations Management Research 2018, 11 (3-4), 83-104. https://doi.org/10.1007/s12063-018-0134-y
Turner, T. D.; Hatcher, L. E.; Wilson, C. C.; Roberts, K. J., Habit Modification of the API Lovastatin through a Predictive Solvent Selection Approach. Journal of pharmaceutical sciences 2018. https://doi.org/10.1016/j.xphs.2018.12.012
Turner, T. D.; Lai, X.; Roberts, K. J., The thermal expansion coefficients of the alpha and beta polymorphic forms of p-aminobenzoic acid in relation to their bulk crystal chemistry. CrystEngComm 2018, 20, 4099-4102. DOI: 10.1039/C8CE00539G
Wongpinyochit, T.; Johnston, B. F.; Seib, F. P., Degradation Behavior of Silk Nanoparticles—Enzyme Responsiveness. ACS Biomaterials Science & Engineering 2018, 4, 942-951. DOI: 10.1021/acsbiomaterials.7b01021
2017
Agimelen, Okpeafoh S., Mulholland, Anthony J., & Sefcik, Jan. (2017). Modelling of artefacts in estimations of particle size of needle-like particles from laser diffraction measurements. Chemical Engineering Science, 158, 445-452. doi: http://dx.doi.org/10.1016/j.ces.2016.10.031
Agnew, Lauren R., McGlone, Thomas, Wheatcroft, Helen P., Robertson, Amy, Parsons, Anna R., & Wilson, Chick C. (2017). Continuous Crystallization of Paracetamol (Acetaminophen) Form II: Selective Access to a Metastable Solid Form. Crystal Growth & Design, 17(5), 2418-2427. doi: 10.1021/acs.cgd.6b01831
Connor, L. E., Morrison, C. A., Oswald, I. D. H., Pulham, C. R., & Warren, M. R. (2017). Carbon dioxide binary crystals via the thermal decomposition of RDX at high pressure. Chemical Science. doi: 10.1039/C7SC01379E
Ejim, Louisa N., Yerdelen, Stephanie, McGlone, Thomas, Onyemelukwe, Iyke, Johnston, Blair, Florence, Alastair J., & Reis, Nuno M. (2017). A factorial approach to understanding the effect of inner geometry of baffled meso-scale tubes on solids suspension and axial dispersion in continuous, oscillatory liquid–solid plug flows. Chemical Engineering Journal, 308, 669-682. doi: http://dx.doi.org/10.1016/j.cej.2016.09.013
Forbes, C.; Nguyen, T. T. H.; O’Leary, R. L.; Price, C. J., Elucidating the mechanism of paracetamol sonocrystallization for product purity enhancement. Proceedings of Meetings on Acoustics 2017, 32 (1), 045017. https://doi.org/10.1121/2.0000739
Fysikopoulos, D.; Borsos, A.; Li, W.; Onyemelukwe, I.; Benyahia, B.; Nagy, Z. K.; Rielly, C. D., Local vs Global Estimability Analysis of Population Balance Models for Crystallization Processes. In Computer Aided Chemical Engineering, Espuña, A.; Graells, M.; Puigjaner, L., Eds. Elsevier: 2017; Vol. 40, pp 55-60. https://doi.org/10.1016/B978-0-444-63965-3.50011-8
Hall Barrientos, Ivan J., Paladino, Eleonora, Brozio, Sarah, Passarelli, Melissa K., Moug, Susan, Black, Richard A., . . . Lamprou, Dimitrios A. (2017). Fabrication and characterisation of drug-loaded electrospun polymeric nanofibers for controlled release in hernia repair. International Journal of Pharmaceutics, 517(1), 329-337. doi: https://doi.org/10.1016/j.ijpharm.2016.12.022
Hall Barrientos, Ivan J., Paladino, Eleonora, Szabó, Peter, Brozio, Sarah, Hall, Peter J., Oseghale, Charles I., . . . Lamprou, Dimitrios A. (2017). Electrospun collagen-based nanofibres: A sustainable material for improved antibiotic utilisation in tissue engineering applications. International Journal of Pharmaceutics, 531(1), 67-79. doi: https://doi.org/10.1016/j.ijpharm.2017.08.071
Halliwell, Rebecca A., Bhardwaj, Rajni M., Brown, Cameron J., Briggs, Naomi E. B., Dunn, Jaclyn, Robertson, John, . . . Florence, Alastair J. (2017). Spray Drying as a Reliable Route to Produce Metastable Carbamazepine Form IV. Journal of Pharmaceutical Sciences, 106(7), 1874-1880. doi: https://doi.org/10.1016/j.xphs.2017.03.045
Harrington, T. S.; Phillips, M. A.; Srai, J. S., Reconfiguring global pharmaceutical value networks through targeted technology interventions. International Journal of Production Research 2017, 55 (5), 1471-1487. https://doi.org/10.1080/00207543.2016.1221541
Johnston, Andrea, Bhardwaj-Miglani, Rajni, Gurung, Rajesh, Vassileiou, Antony D., Florence, Alastair J., & Johnston, Blair F. (2017). Combined Chemoinformatics Approach to Solvent Library Design Using clusterSim and Multidimensional Scaling. Journal of Chemical Information and Modeling, 57(8), 1807-1815. doi: 10.1021/acs.jcim.7b00038
Kimuli, E. N.; Onyemelukwe, I. I.; Benyahia, B.; Rielly, C. D., Characterisation of axial dispersion in a Meso-scale Oscillatory Baffled Crystalliser using a Numerical Approach. In Computer Aided Chemical Engineering, Espuña, A.; Graells, M.; Puigjaner, L., Eds. Elsevier: 2017; Vol. 40, pp 223-228. https://doi.org/10.1016/B978-0-444-63965-3.50039-8
Kongsamai, Peetikamol, Maneedaeng, Atthaphon, Flood, Chalongsri, ter Horst, Joop H., & Flood, Adrian E. (2017). Effect of additives on the preferential crystallization of L-asparagine monohydrate. The European Physical Journal Special Topics, 226(5), 823-835. doi: 10.1140/epjst/e2016-60257-3
Kumar, M.; Harrington, T. S.; Srai, J. S.; Minakata, Y., Industrial system dynamics for environmental sustainability: a case study on the UK medical technology sector. International Journal of Manufacturing Technology and Management 2017, 31 (1/2/3), 100-132. https://doi.org/10.1504/ijmtm.2017.082024
Lau, King Hang Aaron, Castelletto, Valeria, Kendall, Thomas, Sefcik, Jan, Hamley, Ian W., Reza, Mehedi, & Ruokolainen, Janne. (2017). Self-assembly of ultra-small micelles from amphiphilic lipopeptoids. Chemical Communications, 53(13), 2178-2181. doi: 10.1039/C6CC09888F
Liu, Yao, Ward, Martin R., & Alexander, Andrew J. (2017). Polarization independence of laser-induced nucleation in supersaturated aqueous urea solutions. Physical Chemistry Chemical Physics, 19(5), 3464-3467. doi: 10.1039/C6CP07997K
MacFhionnghaile, Pól, Svoboda, Vaclav, McGinty, John, Nordon, Alison, & Sefcik, Jan. (2017). Crystallization Diagram for Antisolvent Crystallization of Lactose: Using Design of Experiments To Investigate Continuous Mixing-Induced Supersaturation. Crystal Growth & Design, 17(5), 2611-2621. doi: 10.1021/acs.cgd.7b00136
Maitz, Manfred F., Sperling, Claudia, Wongpinyochit, Thidarat, Herklotz, Manuela, Werner, Carsten, & Seib, F. Philipp. (2017). Biocompatibility assessment of silk nanoparticles: hemocompatibility and internalization by human blood cells. Nanomedicine: Nanotechnology, Biology and Medicine. doi: https://doi.org/10.1016/j.nano.2017.07.012
Marshall, Ross J., Kalinovskyy, Yaroslav, Griffin, Sarah L., Wilson, Claire, Blight, Barry A., & Forgan, Ross S. (2017). Functional Versatility of a Series of Zr Metal–Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 139(17), 6253-6260. doi: 10.1021/jacs.7b02184
Mendez Torrecillas, Carlota, Halbert, Gavin W., & Lamprou, Dimitrios A. (2017). A novel methodology to study polymodal particle size distributions produced during continuous wet granulation. International Journal of Pharmaceutics, 519(1–2), 230-239. doi: http://dx.doi.org/10.1016/j.ijpharm.2017.01.023
Michalchuk, Adam A. L., Tumanov, Ivan A., Konar, Sumit, Kimber, Simon A. J., Pulham, Colin R., & Boldyreva, Elena V. Challenges of Mechanochemistry: Is In Situ Real-Time Quantitative Phase Analysis Always Reliable? A Case Study of Organic Salt Formation. Advanced Science, 1700132-n/a. doi: 10.1002/advs.201700132
Nasr, Moheb M., Krumme, Markus, Matsuda, Yoshihiro, Trout, Bernhardt L., Badman, Clive, Mascia, Salvatore, . . . Lee, Sau L. (2017). Regulatory Perspectives on Continuous Pharmaceutical Manufacturing: Moving From Theory to Practice: September 26-27, 2016, International Symposium on the Continuous Manufacturing of Pharmaceuticals. Journal of Pharmaceutical Sciences. doi: https://doi.org/10.1016/j.xphs.2017.06.015
Nguyen, T.; Khan, A.; Bruce, L.; Forbes, C.; O’Leary, R.; Price, C., The Effect of Ultrasound on the Crystallisation of Paracetamol in the Presence of Structurally Similar Impurities. Crystals 2017, 7 (10), 294. https://doi.org/10.3390/cryst7100294
Osorio, Juan G., Sayin, Ridade, Kalbag, Arjun V., Litster, James D., Martinez-Marcos, Laura, Lamprou, Dimitrios A., & Halbert, Gavin W. (2017). Scaling of continuous twin screw wet granulation. AIChE Journal, 63(3), 921-932. doi: 10.1002/aic.15459
Phillips, M. A. H., T. S.; Srai, J. S.. Convergent Innovation in Emerging Healthcare Technology Ecosystems: Addressing Complexity and Integration. Technology Innovation Management Review 2017, 7 (9), 44-46. https://timreview.ca/sites/default/files/article_PDF/Phillips_et_al_TIMReview_September2017.pdf
Price, C. J., Application of Ultrasound in Crystallization (Sonocrystallization). In Engineering Crystallography: From Molecule to Crystal to Functional Form , Roberts, K. J.; Docherty, R.; Tamura, R., Eds. Springer Netherlands: Dordrecht, 2017; pp 301-313. https://doi.org/10.1007/978-94-024-1117-1_18
Price, C. J., Continuous Pharmaceutical Crystallization from Solution. In Engineering Crystallography: From Molecule to Crystal to Functional Form, Roberts, K. J.; Docherty, R.; Tamura, R., Eds. Springer Netherlands: Dordrecht, 2017; pp 315-329. https://doi.org/10.1007/978-94-024-1117-1_19
Raza, S. A.; Schacht, U.; Svoboda, V.; Edwards, D. P.; Florence, A. J.; Pulham, C. R.; Sefcik, J.; Oswald, I. D. H., Rapid continuous antisolvent crystallization of multi-component systems. Crystal Growth & Design 2017, 18, (1), 210-218. https://doi.org/10.1021/acs.cgd.7b01105
S. de Moraes, Lygia, Edwards, Darren, Florence, Alastair J., Johnston, Andrea, Johnston, Blair F., Morrison, Catriona A., & Kennedy, Alan R. (2017). Aqueous Solubility of Organic Salts. Investigating Trends in a Systematic Series of 51 Crystalline Salt Forms of Methylephedrine. Crystal Growth & Design. doi: 10.1021/acs.cgd.7b00255
Saborano, Raquel, Wongpinyochit, Thidarat, Totten, John D., Johnston, Blair F., Seib, F. Philipp, & Duarte, Iola F. (2017). Metabolic Reprogramming of Macrophages Exposed to Silk, Poly(lactic-co-glycolic acid), and Silica Nanoparticles. Advanced Healthcare Materials, 1601240-n/a. doi: 10.1002/adhm.201601240
Settanni, E., Srai, J.S., Yatskovskaya, E. and Harrington, T.S. (2017). Exploring Generalisations for Sustainability Assessment in Medicine Manufacturing Networks: proceedings of the 24th International EurOMA Conference. http://euroma2017.eiasm.org/userfiles/HJJFLLL_GDFJMK_CE3XY2IY.pdf
Settanni, Ettore, Harrington, Tomás Seosamh, & Srai, Jagjit Singh. (2017). Pharmaceutical supply chain models: A synthesis from a systems view of operations research. Operations Research Perspectives, 4(Supplement C), 74-95. https://doi.org/10.1016/j.orp.2017.05.002
Simone, Elena, Klapwijk, Anneke R., Wilson, Chick C., & Nagy, Zoltan K. (2017). Investigation of the Evolution of Crystal Size and Shape during Temperature Cycling and in the Presence of a Polymeric Additive Using Combined Process Analytical Technologies. Crystal Growth & Design, 17(4), 1695-1706. https://doi.org/10.1021/acs.cgd.6b01683
Steendam, René R. E., & ter Horst, Joop H. (2017). Continuous Total Spontaneous Resolution. Crystal Growth & Design, 17(8), 4428-4436. https://doi.org/10.1021/acs.cgd.7b00761
Srai, J. S., Mapping industrial systems - a supply network perspective on enabling technologies, processes and actors. International Journal of Manufacturing Technology and Management 2017, 31 (1-3), 82-99. https://doi.org/10.1504/IJMTM.2017.082019
Srai, J. S., Mapping industrial systems - a supply network perspective on enabling technologies, processes and actors. International Journal of Manufacturing Technology and Management 2017, 31 (1-3), 82-99. https://doi.org/10.1504/IJMTM.2017.082019
Srai, J. S., Future supply chains: Unlocking your digital potential. In Journal of Manufacturing Leadership, 2017; pp 49-55.
Srai, J. S., Next generation supply chains: Making the right decisions about digitalisation; 2017.
Srai, J. S., Take your medicine - How new research into pharmaceutical supply chains will help you take care of yourself. Research Horizons 2017
Trokanas, N.; Srai, J. S., Towards an Ontological Backbone for Pharmaceutical Digital Supply Chains. In Computer Aided Chemical Engineering, Espuña, A.; Graells, M.; Puigjaner, L., Eds. Elsevier: 2017; Vol. 40, pp 2329-2334. https://doi.org/10.1016/B978-0-444-63965-3.50390-1
Warzecha, M.; Guo, R.; M. Bhardwaj, R.; Reutzel-Edens, S. M.; Price, S. L.; Lamprou, D. A.; Florence, A. J., Direct Observation of Templated Two-Step Nucleation Mechanism during Olanzapine Hydrate Formation. Crystal Growth & Design 2017, 17 (12), 6382-6393. https://doi.org/10.1021/acs.cgd.7b01060
Warzecha, M.; Safari, M. S.; Florence, A. J.; Vekilov, P. G., Mesoscopic Solute-Rich Clusters in Olanzapine Solutions. Crystal Growth & Design 2017, 17 (12), 6668-6676. https://doi.org/10.1021/acs.cgd.7b01299
2016
Adelakun, J. A. N., Xiong-Wei, On the Kinetics of Palm Oil Crystallisation. International Journal of Engineering Research & Science 2016, 2 (10), 1.
Agimelen, O. S.; Jawor-Baczynska, A.; McGinty, J.; Dziewierz, J.; Tachtatzis, C.; Cleary, A.; Haley, I.; Michie, C.; Andonovic, I.; Sefcik, J.; Mulholland, A. J., Integration of in situ imaging and chord length distribution measurements for estimation of particle size and shape. Chemical Engineering Science 2016, 144, 87-100. https://doi.org/10.1016/j.ces.2016.01.007
Agnew, L. R.; Cruickshank, D. L.; McGlone, T.; Wilson, C. C., Controlled production of the elusive metastable form II of acetaminophen (paracetamol): a fully scalable templating approach in a cooling environment. Chemical Communications 2016, 52, (46), 7368-71. https://doi.org/10.1039/C6CC01032F
Bhardwaj, R. M.; Yang, H.; Florence, A. J., Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1). Acta Crystallographica Section E: Crystallographic Communications 2016, 72 (1), 53-55. https://doi.org/10.1107/S2056989015023518
Brandel, C.; Cartigny, Y.; Coquerel, G.; ter Horst, J. H.; Petit, S., Prenucleation Self-Assembly and Chiral Discrimination Mechanisms during Solution Crystallisation of Racemic Diprophylline. Chemistry – A European Journal 2016, 22 (45), 16103-16112. https://doi.org/10.1002/chem.201602707
Evora, A. O. L.; Castro, R. A. E.; Maria, T. M. R.; Silva, M. R.; ter Horst, J. H.; Canotilho, J.; Eusebio, M. E. S., Co-crystals of diflunisal and isomeric pyridinecarboxamides - a thermodynamics and crystal engineering contribution. CrystEngComm 2016, 18, (25), 4749-4759. https://doi.org/10.1039/C6CE00380J
Forsyth, C.; Burns, I. S.; Mulheran, P. A.; Sefcik, J., Scaling of Glycine Nucleation Kinetics with Shear Rate and Glass–Liquid Interfacial Area. Crystal Growth & Design 2016, 16 (1), 136-144. https://doi.org/10.1021/acs.cgd.5b01042
Grothe, E.; Meekes, H.; Vlieg, E.; ter Horst, J. H.; de Gelder, R., Solvates, Salts, and Cocrystals: A Proposal for a Feasible Classification System. Crystal Growth & Design 2016, 16, (6), 3237-3243. https://doi.org/10.1021/acs.cgd.6b00200
Harrington, T. S., & Srai, J. S. , Understanding stages of supply network emergence in technology commercialisation. International Journal of Manufacturing Technology and Management 2016, 1,(1),1. https://doi.org/10.1504/ijmtm.2016.10000001
Harrington, T. S.; Phillips, M. A.; Srai, J. S., Reconfiguring global pharmaceutical value networks through targeted technology interventions. International Journal of Production Research 2016, 55 (5), 1471-1487. https://doi.org/10.1080/00207543.2016.1221541
Javid, N.; Kendall, T.; Burns, I. S.; Sefcik, J., Filtration Suppresses Laser-Induced Nucleation of Glycine in Aqueous Solutions. Crystal Growth & Design 2016, 16 (8), 4196-4202. https://doi.org/10.1021/acs.cgd.6b00046
Klapwijk, A. R.; Simone, E.; Nagy, Z. K.; Wilson, C. C., Tuning crystal morphology of succinic acid using a polymer additive. Crystal Growth & Design 2016, 16, (8), 4349-4359. https://doi.org/10.1021/acs.cgd.6b00465
Marshall, R. J.; Griffin, S. L.; Wilson, C.; Forgan, R. S., Stereoselective Halogenation of Integral Unsaturated C-C Bonds in Chemically and Mechanically Robust Zr and Hf MOFs. Chemistry 2016, 22 (14), 4870-7. https://doi.org/10.1002/chem.201505185
Marshall, R. J.; Hobday, C. L.; Murphie, C. F.; Griffin, S. L.; Morrison, C. A.; Moggach, S. A.; Forgan, R. S., Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal-organic frameworks. Journal of Materials Chemistry A 2016, 4 (18), 6955-6963. https://doi.org/10.1039/c5ta10401g
Martinez-Marcos, L.; Lamprou, D. A.; McBurney, R. T.; Halbert, G. W., A novel hot-melt extrusion formulation of albendazole for increasing dissolution properties. International Journal of Pharmaceutics 2016, 499 (1–2), 175-185. https://doi.org/10.1016/j.ijpharm.2016.01.006
McLachlan, H.; Ni, X.-W., On the effect of added impurity on crystal purity of urea in an oscillatory baffled crystallizer and a stirred tank crystallizer. Journal of Crystal Growth 2016, 442, 81-88. https://doi.org/10.1016/j.jcrysgro.2016.03.001
Ni, X.-W.; McLachlan, H., An Investigation into Parameters Affecting Crystal Purity of Urea in a Stirred Tank and an Oscillatory Baffled Crystallizer. Chemical Engineering Communications 2016, 203, (9), 1189-197. https://doi.org/10.1080/00986445.2016.1154851
Powell, K. A.; Croker; Rielly, C. D.; Nagy, Z. K., PAT-based design of agrochemical co-crystallization processes: A case-study for the selective crystallization of 1:1 and 3:2 co-crystals of p-Toluenesulfonamide/triphenylphosphine oxide. Chemical Engineering Science 2016, 152, 95-108. https://doi.org/10.1016/j.ces.2016.06.005
Powell, K. A.; Saleemi, A. N.; Rielly, C. D.; Nagy, Z. K., Monitoring Continuous Crystallization of Paracetamol in the Presence of an Additive Using an Integrated PAT Array and Multivariate Methods. Organic Process Research & Development 2016. 20, (3), 626-636. https://doi.org/10.1021/acs.oprd.5b00373
Robertson, K.; Flandrin, P.-B.; Klapwijk, A. R.; Wilson, C. C., Design and Evaluation of a Mesoscale Segmented Flow Reactor (KRAIC). Crystal Growth & Design 2016, 16 (8), 4759-4764. https://doi.org/10.1021/acs.cgd.6b00885
Srai, J. S., Mukesh Kumar, Gary Graham, Wendy Phillips, James Tooze, Simon Ford, Paul Beecher, Baldev Raj, Mike Gregory, Manoj Kumar Tiwari, B. Ravi, Andy Neely, Ravi Shankar, Fiona Charnley & Ashutosh Tiwari, Distributed Manufacturing: scope, challenges and opportunities. Int. J. Production Research 2016, 54 (23), 6917-6935. https://doi.org/10.1080/00207543.2016.1192302
Srirambhatla, V. K.; Guo, R.; Price, S. L.; Florence, A. J., Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs. Chemical Communications 2016, 52, (46), 7384-7386. https://doi.org/10.1039/C6CC01710J
Su, Q.; Rielly, C. D.; Powell, K. A.; Nagy, Z. K., Mathematical modelling and experimental validation of a novel periodic flow crystallization using MSMPR crystallizers. AIChE Journal 2016, 63, (4), 1313-1327. https://doi.org/10.1002/aic.15510
Thomas, L. H.; Wales, C.; Wilson, C. C., Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes. Chemical Communications 2016, 52 (46), 7372-7375. https://doi.org/10.1039/C6CC01027J
Ward, M. R.; Mackenzie, A. M.; Alexander, A. J., Role of Impurity Nanoparticles in Laser-Induced Nucleation of Ammonium Chloride. Crystal Growth & Design 2016. 16, (12), 6790-6796. https://doi.org/10.1021/acs.cgd.6b00882
Wongpinyochit, T., Johnston, B. F., Seib, F. P., Manufacture and Drug Delivery Applications of Silk Nanoparticles. J. Vis. Exp. 2016, 116. https://doi.org/10.3791/54669
Yang, H.; Yu, X.; Raval, V.; Makkawi, Y.; Florence, A., Effect of Oscillatory Flow on Nucleation Kinetics of Butyl Paraben. Crystal Growth & Design 2016, 16 (2), 875-886. https://doi.org/10.1021/acs.cgd.5b0143
2015
Badman, C.; Trout, B. L., Achieving continuous manufacturing. May 20-21, 2014 Continuous Manufacturing Symposium. J Pharm Sci 2015, 104 (3), 779-80. https://doi.org/10.1002/jps.24246
Baxendale, I. R.; Braatz, R. D.; Hodnett, B. K.; Jensen, K. F.; Johnson, M. D.; Sharratt, P.; Sherlock, J. P.; Florence, A. J., Achieving continuous manufacturing: technologies and approaches for synthesis, workup, and isolation of drug substance. May 20-21, 2014 Continuous Manufacturing Symposium. J Pharm Sci 2015, 104 (3), 781-91. https://doi.org/10.1002/jps.24252
Bhardwaj, R. M.; Johnston, A.; Johnston, B. F.; Florence, A. J., A random forest model for predicting the crystallisability of organic molecules. Crystengcomm 2015, 17 (23), 4272-4275. https://doi.org/10.1039/c4ce02403f
Bhardwaj, R. M.; Raval, V.; Oswald, I. D.; Florence, A. J., Crystal structure of a mixed solvated form of amoxapine acetate. Acta Crystallogr E Crystallogr Commun 2015, 71 (Pt 2), 139-41. https://doi.org/10.1107/S2056989014028096
Brandel, C.; ter Horst, J. H., Measuring induction times and crystal nucleation rates. Faraday Discuss 2015, 179 (0), 199-214. https://doi.org/10.1039/C4FD00230J
Briggs, N. E. B.; Schacht, U.; Raval, V.; McGlone, T.; Sefcik, J.; Florence, A. J., Seeded Crystallization of β-l-Glutamic Acid in a Continuous Oscillatory Baffled Crystallizer. Organic Process Research & Development 2015, 19 (12), 1903-1911. https://doi.org/10.1021/acs.oprd.5b00206
Brown, C. J.; Adelakun, J. A.; Ni, X. W., Characterization and modelling of antisolvent crystallization of salicylic acid in a continuous oscillatory baffled crystallizer. Chem Eng Process 2015, 97, 180-186. https://doi.org/10.1016/j.cep.2015.04.012
Hendon, C. H.; Wittering, K. E.; Chen, T. H.; Kaveevivitchai, W.; Popov, I.; Butler, K. T.; Wilson, C. C.; Cruickshank, D. L.; Miljanic, O. S.; Walsh, A., Absorbate-induced piezochromism in a porous molecular crystal. Nano Lett 2015, 15 (3), 2149-54. https://doi.org/10.1021/acs.nanolett.5b00144
Hunter, S.; Coster, P. L.; Davidson, A. J.; Millar, D. I. A.; Parker, S. F.; Marshall, W. G.; Smith, R. I.; Morrison, C. A.; Pulham, C. R., High-Pressure Experimental and DFT-D Structural Studies of the Energetic Material FOX-7. J Phys Chem C 2015, 119 (5), 2322-2334. https://doi.org/10.1021/jp5110888
Jawor-Baczynska, A.; Moore, B. D.; Sefcik, J., Effect of mixing, concentration and temperature on the formation of mesostructured solutions and their role in the nucleation of DL-valine crystals. Faraday Discuss 2015, 179 (0), 141-54. https://doi.org/10.1039/C4FD00262H
McGlone, T.; Briggs, N. E. B.; Clark, C. A.; Brown, C. J.; Sefcik, J.; Florence, A. J., Oscillatory Flow Reactors (OFRs) for Continuous Manufacturing and Crystallization. Organic Process Research & Development 2015, 19 (9), 1186-1202. https://doi.org/10.1021/acs.oprd.5b00225
Powell, K. A.; Bartolini, G.; Wittering, K. E.; Saleemi, A. N.; Wilson, C. C.; Rielly, C. D.; Nagy, Z. K., Toward Continuous Crystallization of Urea-Barbituric Acid: A Polymorphic Co-Crystal System. Crystal Growth & Design 2015, 15 (10), 4821-4836. https://doi.org/10.1021/acs.cgd.5b00599
Powell, K. A.; Saleemi, A. N.; Rielly, C. D.; Nagy, Z. K., Periodic steady-state flow crystallization of a pharmaceutical drug using MSMPR operation. Chem Eng Process 2015, 97 (0), 195-212. https://doi.org/10.1016/j.cep.2015.01.002
Reus, M. A.; van der Heijden, A. E. D. M.; ter Horst, J. H., Solubility Determination from Clear Points upon Solvent Addition. Organic Process Research & Development 2015, 19 (8), 1004-1011. https://doi.org/10.1021/acs.oprd.5b00156
Sans, V.; Porwol, L.; Dragone, V.; Cronin, L., A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy. Chem Sci 2015, 6 (2), 1258-1264. https://doi.org/10.1039/C4SC03075C
Sayin, R.; Martinez-Marcos, L.; Osorio, J. G.; Cruise, P.; Jones, I.; Halbert, G. W.; Lamprou, D. A.; Litster, J. D., Investigation of an 11mm diameter twin screw granulator: Screw element performance and in-line monitoring via image analysis. Int J Pharm 2015, 496 (1), 24-32. https://doi.org/10.1016/j.ijpharm.2015.09.024
Siddique, H.; Brown, C. J.; Houson, I.; Florence, A. J., Establishment of a Continuous Sonocrystallization Process for Lactose in an Oscillatory Baffled Crystallizer. Organic Process Research & Development 2015, 19 (12), 1871-1881. https://doi.org/10.1021/acs.oprd.5b00127
Srai, J. S.; Badman, C.; Krumme, M.; Futran, M.; Johnston, C., Future supply chains enabled by continuous processing--opportunities and challenges. May 20-21, 2014 Continuous Manufacturing Symposium. J Pharm Sci 2015, 104 (3), 840-9. https://doi.org/10.1002/jps.24343
Srai, J. S.; Harrington, T.; Alinaghian, L.; Phillips, M., Evaluating the potential for the continuous processing of pharmaceutical products-a supply network perspective. Chem Eng Process 2015, 97, 248-258. https://doi.org/10.1016/j.cep.2015.07.018
Su, Q. L.; Benyahia, B.; Nagy, Z. K.; Rielly, C. D., Mathematical Modeling, Design, and Optimization of a Multisegment Multiaddition Plug-Flow Crystallizer for Antisolvent Crystallizations. Organic Process Research & Development 2015, 19 (12), 1859-1870. https://doi.org/10.1021/acs.oprd.5b00110
Su, Q. L.; Nagy, Z. K.; Rielly, C. D., Pharmaceutical crystallisation processes from batch to continuous operation using MSMPR stages: Modelling, design, and control. Chem Eng Process 2015, 89 (0), 41-53. https://doi.org/10.1016/j.cep.2015.01.001
Sun, C. C.; Sun, W.; Price, S.; Hughes, C.; Ter Horst, J.; Veesler, S.; Lewtas, K.; Myerson, A.; Pan, H.; Coquerel, G.; van den Ende, J.; Meekes, H.; Mazzotti, M.; Rosbottom, I.; Taulelle, F.; Black, S.; Mackenzie, A.; Janbon, S.; Vekilov, P.; Threlfall, T.; Turner, T.; Back, K.; Cuppen, H.; Toroz, D.; Sefcik, J.; Lovelock, J.; Hammond, R.; Candoni, N.; Simone, E.; Ward, M.; Bertran, C. A.; Vetter, T.; Sear, R.; De Yoreo, J.; Davey, R.; Anwar, J.; Santiso, E.; Wu, D. T.; Roberts, K.; Peters, B.; Schroeder, S.; Jones, F.; Rasmuson, A.; Colfen, H.; Zeglinski, J.; Salvalaglio, M., Solvent and additive interactions as determinants in the nucleation pathway: general discussion. Faraday Discuss 2015, 179 (0), 383-420. https://doi.org/10.1039/C5FD90038G
Sun, W.; Booth, S.; Myerson, A.; Hughes, C.; Pan, H.; Coquerel, G.; Brandel, C.; Meekes, H.; Mazzotti, M.; Fabian, L.; Black, S.; Vekilov, P.; Back, K.; Toroz, D.; Lovelock, J.; Sefcik, J.; Rasmuson, A.; Breynaert, E.; Sear, R.; Hammond, R.; Ward, M.; Threlfall, T.; De Yoreo, J.; Davey, R.; Ristic, R.; Lewtas, K.; Roberts, K.; Hare, A.; Gich, M.; Colfen, H.; Likhatskiy, M.; ter Horst, J.; Sommerdijk, N., Time and space resolved methods: general discussion. Faraday Discuss 2015, 179 (0), 247-67. https://doi.org/10.1039/c5fd90037a
Tachtatzis, C.; Sheridan, R.; Michie, C.; Atkinson, R. C.; Cleary, A.; Dziewierz, J.; Andonovic, I.; Briggs, N. E. B.; Florence, A. J.; Sefcik, J., Image-based monitoring for early detection of fouling in crystallisation processes. Chem Eng Sci 2015, 133, 82-90. https://doi.org/10.1016/j.ces.2015.01.038
ter Horst, J. H.; Schmidt, C.; Ulrich, J., Fundamentals of Industrial Crystallization. In Handbook of Crystal Growth, Rudolph, P., Ed. Elsevier: Boston, 2015; pp 1317-1349. https://doi.org/10.1016/b978-0-444-63303-3.00032-8
Ward, M. R.; Jamieson, W. J.; Leckey, C. A.; Alexander, A. J., Laser-induced nucleation of carbon dioxide bubbles. J Chem Phys 2015, 142 (14), 144501. https://doi.org/10.1063/1.4917022
Ward, M. R.; Rae, A.; Alexander, A. J., Nonphotochemical Laser-Induced Crystal Nucleation by an Evanescent Wave. Crystal Growth & Design 2015, 15 (9), 4600-4605. https://doi.org/10.1021/acs.cgd.5b00854
Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C., Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives. Crystengcomm 2015, 17 (19), 3610-3618. https://doi.org/10.1039/C5CE00297D
Wongpinyochit, T.; Uhlmann, P.; Urquhart, A. J.; Seib, F. P., PEGylated Silk Nanoparticles for Anticancer Drug Delivery. Biomacromolecules 2015, 16 (11), 3712-22. https://doi.org/10.1021/acs.biomac.5b01003
2014
Arlin, J. B.; Bhardwaj, R. M.; Johnston, A.; Miller, G. J.; Bardin, J.; MacDougall, F.; Fernandes, P.; Shankland, K.; David, W. I. F.; Florence, A. J., Structure and stability of two polymorphs of creatine and its monohydrate. Crystengcomm 2014, 16 (35), 8197-8204. https://doi.org/10.1039/c4ce00508b
Brown, C. J.; Lee, Y. C.; Nagy, Z. K.; Ni, X., Evaluation of crystallization kinetics of adipic acid in an oscillatory baffled crystallizer. Crystengcomm 2014, 16 (34), 8008-8014. https://doi.org/10.1039/c4ce00192c
Callahan, C. J.; Ni, X. W., An investigation into the effect of mixing on the secondary nucleation of sodium chlorate in a stirred tank and an oscillatory baffled crystallizer. Crystengcomm 2014, 16 (4), 690-697. https://doi.org/10.1039/c3ce41467a
Delori, A.; Maclure, P.; Bhardwaj, R. M.; Johnston, A.; Florence, A. J.; Sutcliffe, O. B.; Oswald, I. D. H., Drug solid solutions - a method for tuning phase transformations. Crystengcomm 2014, 16 (26), 5827-5831. https://doi.org/10.1039/c4ce00211c
Etherson, K.; Halbert, G.; Elliott, M., Determination of excipient based solubility increases using the CheqSol method. Int J Pharm 2014, 465 (1-2), 202-9. https://doi.org/10.1016/j.ijpharm.2014.02.007
McKellar, S. C.; Kennedy, A. R.; McCloy, N. C.; McBride, E.; Florence, A. J., Formulation of Liquid Propofol as a Cocrystalline Solid. Crystal Growth & Design 2014, 14 (5), 2422-2430. https://doi.org/10.1021/cg500155p
Pulham, C. R., Editorial. CrystEngComm 2014, 16 (26), 5752-5752. https://doi.org/10.1039/C4CE90086C
Srai, J. S., Harrington, T.S., Alinaghian, L., An approach to exploring integration benefits of continuous flow technologies within Pharmaceutical supply chains. Chemistry Today 2014, 32 (SUPPLEMENT - CROS CMOS), P. 27-34. http://www.teknoscienze.com/Articles/Chimica-Oggi-Chemistry-Today-An-approach-to-exploring-integrationbenefits-of-continuous-flow.aspx#.VFetBjSsWuI
Srai, J. S., Christodoulou, P., Harrington, T.S., Capturing value from global networks: strategic approaches to configuring production, supply and service networks. IfM University of Cambridge 2014, 38-51. ISSN: 978-1-902546-30-8
Srai, J. S., Twenty-first supply chains - transforming the pharmaceutical industry. IfM Review 2014, 1, 17-19. http://www.ifm.eng.cam.ac.uk/research/ifm-review/issue-1/twenty-first-century-supply-chains-transforming-the-pharmaceutical-industry/
Thomas, L. H.; Klapwijk, A. R.; Wales, C.; Wilson, C. C., Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam. Crystengcomm 2014, 16 (26), 5924-5932. https://doi.org/10.1039/c4ce00246f
Wittering, K.; King, J.; Thomas, L. H.; Wilson, C. C., From Evaporative to Cooling Crystallisation: An Initial Co-Crystallisation Study of Cytosine and Its Fluorinated Derivative with 4-chloro-3,5-dinitrobenzoic Acid. Crystals 2014, 4 (2), 123-140. https://doi.org/10.3390/cryst4020123
Zhao, L.; Raval, V.; Briggs, N. E. B.; Bhardwaj, R. M.; McGlone, T.; Oswald, I. D. H.; Florence, A. J., From discovery to scale-up: α-lipoic acid : nicotinamide co-crystals in a continuous oscillatory baffled crystalliser. CrystEngComm 2014, 16 (26), 5769-5780. https://doi.org/10.1039/c4ce00154k
2013
Bhardwaj, R. M.; Florence, A. J., 2-Methyl-4-(4-methylpiperazin-1-yl)-10H-thieno [2, 3-b][1, 5] benzodiazepine (olanzapine) propan-2-ol disolvate. Acta Crystallographica Section E: Structure Reports Online 2013, 69 (5), o752-o753. ISSN: 1600-5368
Bhardwaj, R. M.; Johnston, B. F.; Oswald, I. D.; Florence, A. J., A complementary experimental and computational study of loxapine succinate and its monohydrate. Acta Crystallogr C 2013, 69 (Pt 11), 1273-8. https://doi.org/10.1107/S0108270113029363
Bhardwaj, R. M.; Price, L. S.; Price, S. L.; Reutzel-Edens, S. M.; Miller, G. J.; Oswald, I. D. H.; Johnston, B. F.; Florence, A. J., Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine. Crystal Growth & Design 2013, 13 (4), 1602-1617. https://doi.org/10.1021/cg301826s
Braun, D. E.; Bhardwaj, R. M.; Arlin, J. B.; Florence, A. J.; Kahlenberg, V.; Griesser, U. J.; Tocher, D. A.; Price, S. L., Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate. Cryst Growth Des 2013, 13 (9), 4071-4083. https://doi.org/10.1021/cg4009015
Dragone, V.; Sans, V.; Rosnes, M. H.; Kitson, P. J.; Cronin, L., 3D-printed devices for continuous-flow organic chemistry. Beilstein J Org Chem 2013, 9, 951-9. https://doi.org/10.3762/bjoc.9.109
Hamilton, P.; Littlejohn, D.; Nordon, A.; Sefcik, J.; Slavin, P.; Andrews, J.; Dallin, P., Investigation of factors affecting isolation of needle-shaped particles in a vacuum-agitated filter drier through non-invasive measurements by Raman spectrometry. Chem Eng Sci 2013, 101, 878-885. https://doi.org/10.1016/j.ces.2013.05.035
Jawor-Baczynska, A.; Moore, B. D.; Lee, H. S.; McCormick, A. V.; Sefcik, J., Population and size distribution of solute-rich mesospecies within mesostructured aqueous amino acid solutions. Faraday Discuss 2013, 167, 425-40. https://doi.org/10.1039/c3fd00066d
Jawor-Baczynska, A.; Sefcik, J.; Moore, B. D., 250 nm Glycine-Rich Nanodroplets Are Formed on Dissolution of Glycine Crystals But Are Too Small To Provide Productive Nucleation Sites. Crystal Growth & Design 2013, 13 (2), 470-478. https://doi.org/10.1021/cg300150u
Kitson, P. J.; Symes, M. D.; Dragone, V.; Cronin, L., Combining 3D printing and liquid handling to produce user-friendly reactionware for chemical synthesis and purification. Chemical Science 2013, 4 (8), 3099-3103. https://doi.org/10.1039/c3sc51253c
Manninen, M.; Gorshkova, E.; Immonen, K.; Ni, X. W., Evaluation of axial dispersion and mixing performance in oscillatory baffled reactors using CFD. J Chem Technol Biot 2013, 88 (4), 553-562. https://doi.org/10.1002/jctb.3979
Vitórica-Yrezábal, I. J.; Mínguez Espallargas, G.; Soleimannejad, J.; Florence, A. J.; Fletcher, A. J.; Brammer, L., Chemical transformations of a crystalline coordination polymer: a multi-stage solid–vapour reaction manifold. Chemical Science 2013, 4 (2), 696-708. https://doi.org/10.1039/C2SC21654J
Ward, M. R.; Botchway, S. W.; Ward, A. D.; Alexander, A. J., Second-harmonic scattering in aqueous urea solutions: evidence for solute clusters? Faraday Discuss 2013, 167 (0), 441-54. https://doi.org/10.1039/C3FD00089C
2012
Bhardwaj, R. M.; Oswald, I.; Florence, A. J., 6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate. Acta Crystallogr Sect E Struct Rep Online 2012, 68 (Pt 12), o3377. https://doi.org/10.1107/S1600536812044480
Braun, D. E.; Bhardwaj, R. M.; Florence, A. J.; Tocher, D. A.; Price, S. L., Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates. Cryst Growth Des 2013, 13 (1), 19-23. https://doi.org/10.1021/cg301506x
Brown, C. J.; Ni, X. W., Determination of metastable zone width, mean particle size and detectable number density using video imaging in an oscillatory baffled crystallizer. Crystengcomm 2012, 14 (8), 2944-2949. https://doi.org/10.1039/c2ce06628a
Callahan, C. J.; Ni, X. W., Probing into Nucleation Mechanisms of Cooling Crystallization of Sodium Chlorate in a Stirred Tank Crystallizer and an Oscillatory Baffled Crystallizer. Crystal Growth & Design 2012, 12 (5), 2525-2532. https://doi.org/10.1021/cg300135w
de la Oliva, A. R.; Sans, V.; Miras, H. N.; Yan, J.; Zang, H.; Richmond, C. J.; Long, D. L.; Cronin, L., Assembly of a gigantic polyoxometalate cluster {W200Co8O660} in a networked reactor system. Angew Chem Int Ed Engl 2012, 51 (51), 12759-62. https://doi.org/10.1002/anie.201206572
Hamilton, P.; Littlejohn, D.; Nordon, A.; Sefcik, J.; Slavin, P., Validity of particle size analysis techniques for measurement of the attrition that occurs during vacuum agitated powder drying of needle-shaped particles. Analyst 2012, 137 (1), 118-25. https://doi.org/10.1039/c1an15836h
Harrington, T. S., Kirkwood, D.A. & Srai, J. S., Performance Metric Selection Methodology for Multi- Organizational Service Network Integration. The Journal of Applied Management and Entrepreneurship 2012, 17 (3), 30-35. Performance Metric Selection Methodology for Multi-Organizational Service Network Integration — University of East Anglia (uea.ac.uk)
Harrington, T. S.; Srai, J. S., Defining product-service network configurations and location roles: a current and future state analysis framework for international engineering operations. International Journal of Product Development 2012, 17 (3/4), 228-253. https://doi.org/10.1504/ijpd.2012.052103
Kitson, P. J.; Rosnes, M. H.; Sans, V.; Dragone, V.; Cronin, L., Configurable 3D-Printed millifluidic and microfluidic 'lab on a chip' reactionware devices. Lab Chip 2012, 12 (18), 3267-71. https://doi.org/10.1039/c2lc40761b
McKellar, S. C.; Urquhart, A. J.; Lamprou, D. A.; Florence, A. J., Polymer templating of supercooled indomethacin for polymorph selection. ACS Comb Sci 2012, 14 (3), 155-9. https://doi.org/10.1021/co200175e
Richmond, C. J.; Miras, H. N.; de la Oliva, A. R.; Zang, H.; Sans, V.; Paramonov, L.; Makatsoris, C.; Inglis, R.; Brechin, E. K.; Long, D. L.; Cronin, L., A flow-system array for the discovery and scale up of inorganic clusters. Nat Chem 2012, 4 (12), 1037-43. https://doi.org/10.1038/nchem.1489
Saleemi, A. N.; Rielly, C. D.; Nagy, Z. K., Comparative Investigation of Supersaturation and Automated Direct Nucleation Control of Crystal Size Distributions using ATR-UV/vis Spectroscopy and FBRM. Crystal Growth & Design 2012, 12 (4), 1792-1807. https://doi.org/10.1021/cg201269c
Saleemi, A. N.; Rielly, C. D.; Nagy, Z. K., Monitoring of the combined cooling and antisolvent crystallisation of mixtures of aminobenzoic acid isomers using ATR-UV/vis spectroscopy and FBRM. Chem Eng Sci 2012, 77, 122-129. https://doi.org/10.1016/j.ces.2012.02.005
2011
Arlin, J. B.; Florence, A. J.; Johnston, A.; Kennedy, A. R.; Miller, G. J.; Patterson, K., Systematic Data Set for Structure-Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates. Crystal Growth & Design 2011, 11 (4), 1318-1327. https://doi.org/10.1021/cg101547r
Arlin, J. B.; Price, L. S.; Price, S. L.; Florence, A. J., A strategy for producing predicted polymorphs: catemeric carbamazepine form V. Chem Commun (Camb) 2011, 47 (25), 7074-6. https://doi.org/10.1039/c1cc11634g
Brown, C. J.; Ni, X. W., Online Evaluation of Paracetamol Antisolvent Crystallization Growth Rate with Video Imaging in an Oscillatory Baffled Crystallizer. Crystal Growth & Design 2011, 11 (3), 719-725. https://doi.org/10.1021/cg1011988
Brown, C. J.; Ni, X. W., Evaluation of Growth Kinetics of Antisolvent Crystallization of Paracetamol in an Oscillatory Baffled Crystallizer Utilizing Video Imaging. Crystal Growth & Design 2011, 11 (9), 3994-4000. https://doi.org/10.1021/c9200560b