Publications — CMAC

328

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Journals represented

328 publications found

Determination of the crystallographic orientation of organic crystal facets with angle-resolved polarised Raman spectroscopy

Collins, D. F.; Skelton, J. M.; Schroeder, S. L. M.; Blade, H.; Jackman, M.; Pallipurath, A. R.

CrystEngComm, 2026, 28(4), 836–848

Empowering the pharmaceutical workforce for the digital future

Maclean, N.; Abrahmsén-Alami, S.; Clark, C.; Dörr, F.; Florence, A.; Ketolainen, J.; Lindow, M.; Mantanus, J.; Rantanen, J.; Reynolds, G.; et al.

European Journal of Pharmaceutical Sciences, 2026, 107449

Eyring–Polanyi rate theory for the homogeneous nucleation of organic crystals from solution

Schroeder, S. L. M.

Crystal Growth & Design, 2026, 26(1), 19–31

Process optimization in pharmaceutical hot-melt extrusion: real-time volatile detection via SIFT-MS combined with multivariate analysis

Smith, A. D.; Bordos, E.; Devlin, M.; Hastie, C.; Perkins, M. J.; Langford, V. S.; Florence, A. J.; Robertson, J.

International Journal of Pharmaceutics, 2026, 691, 126623

A case study on hybrid machine learning and quantum-informed modelling for solubility prediction of drug compounds in organic solvents

Wang, W.; Cooley, I.; Alexander, M. R.; Wildman, R. D.; Croft, A. K.; Johnston, B. F.

Digital Discovery, 2026

Modifiers regulate crystal morphology by generating lattice defects

Warzecha, M.; Yerragunta, M.; Florence, A. J.; Vekilov, P. G.

Crystal Growth & Design, 2026, 26(2), 934–943

Accelerated medicines development using a digital formulator and a self-driving tableting DataFactory (pre-print)

Abbas, F. S.; Hou, M. P.; Morres, J.; Goldie, J.; Tsioutsios, A.; Portela, V.; Boulay, Q.; Thiolliere, R.; Stark, A.; Schwartz, J.; et al.

arXiv, 2025. arXiv:2503.17411

Challenges and opportunities for computer-aided molecular and process design approaches in advancing sustainable pharmaceutical manufacturing

Adjiman, C. S.; Galindo, A.

Current Opinion in Chemical Engineering, 2025, 47, 101073

Particle engineering of a needle-like active pharmaceutical ingredient into size controlled agglomerates: Part I. Process scalability and development

Ahmed, B.; Raval, V.; McGowan, M.; Yang, Y.; Langston, M.; Papageorgiou, C. D.; Smith, K.

International Journal of Pharmaceutics, 2025, 686, 126363

Probing the interplay between drug saturation, processing temperature and microstructure of amorphous solid dispersions with synchrotron X-ray phase-contrast tomography

Bordos, E.; Das, G.; Schroeder, S. L. M.; Florence, A.; Halbert, G. W.; Robertson, J.

International Journal of Pharmaceutics, 2025, 669, 125018

Calibration free approaches for rapid polymorph discrimination via low frequency (THz) Raman spectroscopy

Chong, M. W. S.; Ward, M. R.; McFarlan, C.; Parrott, A. J.; Dallin, P.; Andrews, J.; Oswald, I. D. H.; Nordon, A.

Chemical Communications, 2025, 61(5), 925–928

Predictive approaches for 3D-printing: methods and approaches for polymeric materials

Cooley, I.; Wang, W.; Kozyrev, V.; Wildman, R. D.; Johnston, B. F.; Croft, A. K.

WIREs Computational Molecular Science, 2025, 15(5), e70048

Developing robust food composition models: strategies for handling temperature and packaging variations in dry-cured ham using near infrared spectrometry

Fulladosa, E.; Chong, M. W. S.; Parrott, A. J.; dos Santos, R.; Russell, J.; Nordon, A.

Spectrochimica Acta Part A, 2025, 332, 125823

Robust techno-economic analysis, life cycle assessment, and quality and sustainability by digital design of three alternative continuous pharmaceutical tablet manufacturing processes

Gao, S.; Benyahia, B.

Systems and Control Transactions, 2025, 4, 2568–2573

Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin

Gasol-Cardona, J.; Ward, M. R.; Comboni, D.; Hanfland, M.; Scatena, R.; Warren, M. R.; Maloney, A. G. P.; Oswald, I. D. H.

CrystEngComm, 2025

Spatial and temporal visualization of polymorphic transformations in pharmaceutical tablets

Gasol-Cardona, J.; Ward, M. R.; Gutowski, O.; Drnec, J.; Jandl, C.; Stam, D.; Maloney, A. G. P.; Markl, D.; Price, S. W. T.; Oswald, I. D. H.

Angewandte Chemie International Edition, 2025, 64(2), e202412976

Undesired agglomeration in agitated filter dryers: a critical review

Gnanenthiran, S.; Hewitt, C.; Rao, P.; Pitt, K.; Litster, J.; Smith, R.

Powder Technology, 2025, 466, 121425

Unveiling the origin of spurious features in THz-TDS of powder compacts

Gorecki, J.; Murphy, K. N.; Markl, D.; Burnett, A. D.; Naftaly, M.

IEEE Transactions on Terahertz Science and Technology, 2025, 15(3), 418–430

Quality by digital design in action: a workflow for crystallisation and isolation

Houson, I.; Siddique, H.; Chong, M. W. S.; Robertson, M.; Turner, A. J.; Nordon, A.; Osman, A.; Galindo, A.; Dunn, A. S.; Johnston, B.; et al.

International Journal of Pharmaceutics, 2025, 686, 126343

Particle-based investigation of excipients stability: the effect of storage conditions on moisture content and swelling

Ibrahim, I.; Carroll, M.; Almudahka, A.; Mann, J.; Abbott, A.; Winge, F.; Davis, A.; Hens, B.; Khadra, I.; Markl, D.

RSC Pharmaceutics, 2025, 2(2), 369–386

Linking powder to tablet stability: length- and time-scale prediction of moisture sorption

Ibrahim, I.; Mann, J.; Abbott, A.; Winge, F.; Davis, A.; Hens, B.; Khadra, I.; Markl, D.

International Journal of Pharmaceutics, 2025, 684, 126154

Spatially-resolved quantification of erosion and swelling of tablets in a paddle dissolution apparatus with integrated optical coherence tomography

Jesney, H.; Maclean, N.; Salehian, M.; Mann, J.; Barker, R.; Khadra, I.; Markl, D.

International Journal of Pharmaceutics, 2025, 683, 126082

Characterisation of a continuous blender: impact of physical properties on mass holdup behaviour

Jolliffe, H. G.; Velazco-Roa, M. A.; de Juan, L. M.; Prostredny, M.; Torrecillas, C. M.; Reynolds, G.; McElhone, D.; Robertson, J.

Powder Technology, 2025, 449, 120440

Real-time polymorphic form assessment of pharmaceuticals at tabletting pressures using micro-scale quantities

Kakde, D.; Fetah, B.; Bebiano, S. S.; Ward, M. R.; Doherty, C. L.; Markl, D.; Oswald, I. D. H.

International Journal of Pharmaceutics, 2025, 678, 125707

How non-aqueous media direct the reaction of Ca(OH)₂ with CO₂ to different forms of CaCO₃: operando mid-infrared and X-ray absorption spectroscopy studies

Kathyola, T. A.; Chang, S.-Y.; Willneff, E. A.; Willis, C. J.; Cibin, G.; Wilson, P.; Kroner, A. B.; Shotton, E. J.; Dowding, P. J.; Schroeder, S. L. M.

Physical Chemistry Chemical Physics, 2025, 27(18), 9668–9675

Investigation of the role of filtration in suppressing laser-induced nucleation of glycine

Kendall, T.; Hobson, D.; Javid, N.; Burns, I. S.; Sefcik, J.

CrystEngComm, 2025, 27(42), 6956–6965

Digital design and optimization of the integrated synthesis and crystallization process using data-driven approaches

Ma, Y.; Li, W.; Liu, J.; Shang, G.; Yang, H.; Gong, J.; Nagy, Z. K.; Benyahia, B.

AIChE Journal, 2025, 71(10), e18931

Interface-induced concentration enhancement in glycine solutions investigated using surface plasmon resonance spectroscopy and molecular dynamics simulations

Mackay, R.; Sefcik, J.; Mohammadpour, M.; Johnston, K.; Lau, A.

University of Strathclyde, 2025

Mixing times of miscible liquid systems in agitated vessels

Miller, R.; Cardona Barber, I.; Lue, L.; Sefcik, J.; Nazemifard, N.

Processes, 2025, 1083

Non-destructive tracking of particle size variations in granular compacts by terahertz time domain spectroscopy

Murphy, K. N.; Markl, D.; Naftaly, M.

Powder Technology, 2025, 464, 121155

Quality by digital design to accelerate sustainable medicines development

Mustoe, C. L.; Turner, A. J.; Urwin, S. J.; Houson, I.; Feilden, H.; Markl, D.; Al Qaraghuli, M. M.; Chong, M. W. S.; Robertson, M.; Nordon, A.; et al.

International Journal of Pharmaceutics, 2025, 681, 125625

Extending the SAFT-γ Mie group-contribution approach to model cyclic ketones: application to monoterpenoids

Paliwal, S.; Perdomo, F. A.; Bernet, T.; Alyazidi, A.; Haslam, A. J.; Jackson, G.; Galindo, A.

Molecular Physics, 2025, 123(21–22), e2493320

Automated scale-up crystallisation DataFactory for model-based pharmaceutical process development: a Bayesian case study

Pickles, T.; Leghrib, Y.; Weisshaar, M.; Goncharuk, M.; Timperman, P.; Doherty, T.; Ford, D. D.; Moores, J.; Florence, A. J.; Brown, C. J.

Digital Discovery, 2025, 4(8), 2025–2032

It's a long way to the top (if you wanna biplot): a back-to-basics perspective on the implementation of principal component biplots in R

Settanni, E.; Srai, J. S.

Quality & Quantity, 2025

Convergence of product, production, and supply chain design rules: evidence from pharmaceutical pre-competitive collaboration networks

Srai, J. S.; Harrington, T. S.; Joglekar, N. R.; Narayanan, S.

Journal of Operations Management, 2025, 71(3), 314–334

Digital transformation of electronic patient information leaflets (ePIL): the case of multinational pharmaceutical manufacturers

Srai, J. S.; Margolles, A. C.; Guo, D. Q.

International Journal of Production Research, 2025, 1–21

A machine learning approach to transferable loss-in-weight feeder mass flow prediction from equipment configuration and material properties

Torrecillas, C. M.; Jolliffe, H. G.; Elkes, R.; Reynolds, G.; Aroniada, M.; Shier, A. P.; Verrier, H.; Fathollahi, S.; Robertson, J.

Powder Technology, 2025, 463, 121154

Testing on continuous production of mefenamic acids — design of experiment through simulation and process optimisation

Wu, K. E.; Brown, C. J.; Robertson, M.; Johnston, B. F.; Lloyd, R.; Panoutsos, G.

European Journal of Pharmaceutical Sciences, 2025, 210, 107102

Mesoscopic solute-rich clusters in organic solutions

Yerragunta, M.; Veliz, A. C.; Warzecha, M.; Hadjiev, V. G.; Florence, A. J.; Zerze, G. H.; Rimer, J. D.; Vekilov, P. G.

Crystal Growth & Design, 2025, 25(11), 3958–3967

Robust pharmaceutical tableting process through combined probabilistic design space and flexibility analysis

Yewale, A.; Yuan, X.; Benyahia, B.

Systems and Control Transactions, 2025, 637–643

A comprehensive framework for model evaluation and refinement using MBDoE estimability and structural identifiability: application to a crystallization process

Yuan, X.; Nagy, Z. K.; Benyahia, B.

Chemical Engineering Journal Advances, 2025, 23, 100823

Assessment of GAFF and OPLS force fields for urea: crystal and aqueous solution properties

Anker, S.; McKechnie, D.; Mulheran, P.; Sefcik, J.; Johnston, K.

Crystal Growth & Design, 2024, 24(1), 143–158

OpenCrystalData: an open-access particle image database to facilitate learning, experimentation, and development of image analysis models for crystallization processes

Barhate, Y.; Boyle, C.; Salami, H.; Wu, W-L.; Taherimakhsousi, N.; Rabinowitz, C.; Bommarius, A.; Cardona, J.; Nagy, Z. K.; Rousseau, R.; Grover, M.

Digital Chemical Engineering, 2024, 11, 100150

Modeling the thermodynamic properties of cyclic alcohols with the SAFT-γ Mie approach: application to cyclohexanol and menthol systems

Bernet, T.; Paliwal, S.; Alyazidi, A.; Standish, R.; Haslam, A. J.; Adjiman, C. S.; Jackson, G.; Galindo, A.

Molecular Physics, 2024, e2394132

Modeling the thermodynamic properties of saturated lactones in nonideal mixtures with the SAFT-γ Mie approach

Bernet, T.; Wehbe, M.; Febra, S. A.; Haslam, A. J.; Adjiman, C. S.; Jackson, G.; Galindo, A.

Journal of Chemical & Engineering Data, 2024, 69(2), 650–678

ESTAN — a toolbox for standardized and effective global sensitivity-based estimability analysis

Bouchkira, I.; Latifi, A. M.; Benyahia, B.

Computers & Chemical Engineering, 2024, 186, 108690

Integrated continuous process design for crystallisation, spherical agglomeration, and filtration of lovastatin

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.; Florence, A. J.; et al.

Journal of Pharmaceutical Innovation, 2024, 19(2), 9

A modified Kushner-Moore approach to characterising small-scale blender performance impact on tablet compaction

Jolliffe, H. G.; Prostredny, M.; Mendez Torrecillas, C.; Bordos, E.; Tierney, C.; Ojo, E.; Elkes, R.; Reynolds, G.; Li Song, Y.; Meir, B.; Fathollahi, S.; Robertson, J.

International Journal of Pharmaceutics, 2024, 659, 124232

Transferable mini-blender performance impact on continuous direct compaction tablets using a modified Kushner-Moore approach

Jolliffe, H. G.; Tierney, C.; Bordos, E.; Torrecillas, C. M.; Prostredny, M.; Elkes, R.; Robertson, J.; Ojo, E.

Computer Aided Chemical Engineering, 2024, 53, 1081–1086

Loss-in-weight feeder performance prediction using machine learning

Jolliffe, H. G.; Torrecillas, C. M.; Reynolds, G.; Elkes, R.; Verrier, H.; Devlin, M.; Dickhoff, B.; Robertson, J.

Computer Aided Chemical Engineering, 2024, 53, 91–96

Reactive CaCO₃ formation from CO₂ and methanolic Ca(OH)₂ dispersions: transient methoxide salts, carbonate esters and sol–gels

Kathyola, T. A.; Willneff, E. A.; Willis, C. J.; Dowding, P. J.; Schroeder, S. L. M.

ACS Physical Chemistry Au, 2024, 4(5), 555–567

Immobilisation of chromium in magnesium carbonate minerals

Lacinska, A. M.; Bateman, K.; Chenery, S.; Kemp, S. J.; Liddy, T.; Rushton, J. C.; Saha, D.; Schroeder, S. L. M.

Mineralogical Magazine, 2024, 88(2), 162–169

Single and multiobjective shutdown optimization of a multistage continuous crystallizer

Liu, J.; Benyahia, B.

Industrial & Engineering Chemistry Research, 2024, 63(16), 7300–7314

Impact of immediate release film coating on the disintegration process of tablets

Ma, M.; Powell, D.; Nassar, M.; Teckoe, J.; Markl, D.; Zeitler, J. A.

Journal of Controlled Release, 2024, 373, 533–546

Flexible modelling of the dissolution performance of directly compressed tablets

Maclean, N.; Armstrong, J. A.; Carroll, M. A.; Salehian, M.; Mann, J.; Reynolds, G.; Johnston, B.; Markl, D.

International Journal of Pharmaceutics, 2024, 656, 124084

Developing a model-driven workflow for the digital design of small-scale batch cooling crystallisation with the antiviral lamivudine

Pickles, T.; Mustoe, C.; Boyle, C.; Cardona, J.; Brown, C. J.; Florence, A. J.

CrystEngComm, 2024, 26(6), 822–834

Comparative study on adaptive Bayesian optimization for batch cooling crystallization for slow and fast kinetic regimes

Pickles, T.; Mustoe, C.; Brown, C. J.; Florence, A. J.

Crystal Growth & Design, 2024, 24(3), 1245–1253

Integration of a model-driven workflow into an industrial pharmaceutical facility: supporting process development of API crystallisation

Pickles, T.; Svoboda, V.; Marziano, I.; Brown, C. J.; Florence, A. J.

CrystEngComm, 2024, 26(34), 4678–4689

An additive manufacturing microfactory: overcoming brittle material failure and improving product performance through tablet micro-structure control for an immediate release dose form

Prasad, E.; Robertson, J.; Halbert, G. W.

Polymers, 2024, 16(18), 2566

Development and process scaling of repeat mini-blending as a complementary approach to deliver continuous direct compression

Prostredny, M.; Jolliffe, H. G.; Elkes, R.; Maqsood, K.; Song, Y. L.; Reynolds, G.; Meir, B.; Robertson, J.

Powder Technology, 2024, 448, 120224

A hybrid system of mixture models for the prediction of particle size and shape, density, and flowability of pharmaceutical powder blends

Salehian, M.; Moores, J.; Goldie, J.; Ibrahim, I.; Torrecillas, C. M.; Wale, I.; Abbas, F.; Maclean, N.; Robertson, J.; Florence, A.; Markl, D.

International Journal of Pharmaceutics: X, 2024, 8, 100298

Emerging applications and regulatory strategies for advanced medicines manufacturing — towards the development of a platform approach

Srai, J. S.; Bauer, P.; Badman, C.; Bresciani, M.; Cooney, C. L.; Florence, A.; Hausner, D.; Konstantinov, K.; Lee, S. L.; Mascia, S.; Nasr, M.; Trout, B. L.

Journal of Pharmaceutical Sciences, 2024, 113(7), 1701–1710

Homogeneous organic crystal nucleation rates in solution from the perspective of chemical reaction kinetics

Schroeder, S. L. M.

Crystals, 2024, 14(4), 349

Empirical model variability: developing a new global optimisation approach to populate compression and compaction mixture rules

Tait, T.; Salehian, M.; Aroniada, M.; Shier, A. P.; Elkes, R.; Robertson, J.; Markl, D.

International Journal of Pharmaceutics, 2024, 662, 124475

A novel simulated moving plug flow crystallizer (sm-PFC) for addressing the encrustation problem: simulation-based studies on cooling crystallization

Bjarnason, A.; Majumder, A.

Industrial & Engineering Chemistry Research, 2023, 62(12), 5051–5064

Multi-objective model-based design of experiments of pharmaceutical tableting process

Bouchkira, I.; Benyahia, B.

Computer Aided Chemical Engineering, 2023, 52, 349–354

ESTAN – a toolbox for global sensitivity based estimability analysis

Bouchkira, I.; Latifi, A. M.; Benyahia, B.

Computer Aided Chemical Engineering, 2023, 52, 439–444

Intermediates during the nucleation of platinum nanoparticles by a reaction with ethylene glycol: operando X-ray absorption spectroscopy studies with a microfluidic cell

Britto, S.; Parlett, C. M. A.; Bartlett, S.; Elliott, J. D.; Ignatyev, K.; Schroeder, S. L. M.

The Journal of Physical Chemistry C, 2023, 127(18), 8631–8639

Rapid assessment of crystal nucleation and growth kinetics: comparison of seeded and unseeded experiments

Cashmore, A.; Miller, R.; Jolliffe, H.; Brown, C. J.; Lee, M.; Haw, M. D.; Sefcik, J.

Crystal Growth & Design, 2023, 23(7), 4779–4790

Multicomponent chiral quantification with ultraviolet circular dichroism spectroscopy: ternary and quaternary phase diagrams of levetiracetam

Charpentier, M. D.; Venkatramanan, R.; Rougeot, C.; Leyssens, T.; Johnston, K.; ter Horst, J. H.

Molecular Pharmaceutics, 2023, 20(1), 616–629

Non-invasive monitoring of the growth of metal–organic frameworks (MOFs) via Raman spectroscopy

Chong, M. W. S.; Parrott, A. J.; Ashworth, D. J.; Fletcher, A. J.; Nordon, A.

Physical Chemistry Chemical Physics, 2023

Nucleation and growth kinetics of sodium chloride crystallization from water and deuterium oxide

Flannigan, J. M.; Maciver, D.; Jolliffe, H.; Haw, M. D.; Sefcik, J.

Crystals, 2023, 13(9), 1388

Development and implementation of a pneumatic micro-feeder for poorly-flowing solid pharmaceutical materials

Hou, P.; Besenhard, M. O.; Halbert, G.; Naftaly, M.; Markl, D.

International Journal of Pharmaceutics, 2023, 635, 122691

Exploring the thermal behaviour of the solvated structures of nifedipine

Jones, E. C. L.; Goldsmith, K. E.; Ward, M. R.; Bimbo, L. M.; Oswald, I. D. H.

Acta Crystallographica B, 2023, 79(Pt 2), 164–175

Development of a digital twin for the prediction and control of supersaturation during batch cooling crystallization

Leeming, R.; Mahmud, T.; Roberts, K. J.; George, N.; Webb, J.; Simone, E.; Brown, C. J.

Industrial & Engineering Chemistry Research, 2023, 62(28), 11067–11081

Formulation-dependent stability mechanisms affecting dissolution performance of directly compressed griseofulvin tablets

Maclean, N.; Khadra, I.; Mann, J.; Abbott, A.; Mead, H.; Markl, D.

International Journal of Pharmaceutics, 2023, 631, 122473

Modelling solution speciation to predict pH and supersaturation for design of batch and continuous organic salt crystallisation processes

McGinty, J.; Wheatcroft, H.; Price, C. J.; Sefcik, J.

Fluid Phase Equilibria, 2023, 565, 113676

Observation of spurious spectral features in mixed-powder compressed pellets measured by terahertz time-domain spectroscopy

Murphy, K. N.; Markl, D.; Nordon, A.; Naftaly, M.

IEEE Transactions on Terahertz Science and Technology, 2023, 13(5), 569–572

Effect of particle size and concentration on low-frequency terahertz scattering in granular compacts

Murphy, K. N.; Naftaly, M.; Nordon, A.; Markl, D.

Optical Materials Express, 2023, 13(8), 2251–2263

Machine learning approaches to the prediction of powder flow behaviour of pharmaceutical materials from physical properties

Pereira Diaz, L.; Brown, C. J.; Ojo, E.; Mustoe, C.; Florence, A. J.

Digital Discovery, 2023, 2(3), 692–701

Expanding the pharmaceutical formulation space in material extrusion 3D printing applications

Prasad, E.; Robertson, J.; Florence, A. J.; Halbert, G. W.

Additive Manufacturing, 2023, 77, 103803

Where have all the equations gone? A unified view on semi-quantitative problem structuring and modelling

Settanni, E.; Heijungs, R.; Srai, J. S.

Journal of the Operational Research Society, 2022, 74(1), 290–309

Modelling the evolution of pore structure during the disintegration of pharmaceutical tablets

Soundaranathan, M.; Al-Sharabi, M.; Sweijen, T.; Bawuah, P.; Zeitler, J. A.; Hassanizadeh, S. M.; Pitt, K.; Johnston, B. F.; Markl, D.

Pharmaceutics, 2023, 15(2), 489

Green alternatives to zinc dialkyldithiophosphates: vanadium oxide-based additives

Straiton, A. J.; Kathyola, T. A.; Sweeney, C.; Parish, J. D.; Willneff, E. A.; Schroeder, S. L. M.; Morina, A.; Neville, A.; Smith, J. J.; Johnson, A. L.

ACS Applied Engineering Materials, 2023, 1(11), 2916–2925

Tautomerism unveils a self-inhibition mechanism of crystallization

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.; et al.

Nature Communications, 2023, 14(1), 561

True bridging liquid-solid ratio (TBSR): redefining a critical process parameter in spherical agglomeration

Tew, J. D.; Pitt, K.; Smith, R.; Litster, J. D.

Powder Technology, 2023, 430, 119010

Digital process design to define and deliver pharmaceutical particle attributes

Urwin, S. J.; Chong, M. W. S.; Li, W.; McGinty, J.; Mehta, B.; Ottoboni, S.; Pathan, M.; Prasad, E.; Robertson, M.; Florence, A. J.; et al.

Chemical Engineering Research and Design, 2023, 196, 726–749

A unified AI framework for solubility prediction across organic solvents

Vassileiou, A. D.; Robertson, M.; Wareham, B. G.; Soundaranathan, M.; Ottoboni, S.; Florence, A. J.; Hartwig, T.; Johnston, B. F.

Digital Discovery, 2023

Pushing technique boundaries to probe conformational polymorphism

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.

Crystal Growth & Design, 2023, 23(10), 7217–7230

Predicting pharmaceutical powder flow from microscopy images using deep learning

Wilkinson, M. R.; Pereira Diaz, L.; Vassileiou, A. D.; Armstrong, J. A.; Brown, C. J.; Castro-Dominguez, B.; Florence, A. J.

Digital Discovery, 2023, 2(2), 459–470

Machine learning-derived correlations for scale-up and technology transfer of primary nucleation kinetics

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.

Crystal Growth & Design, 2023

A combined D-optimal and estimability model-based design of experiments of a batch cooling crystallization process

Yuan, X.; Benyahia, B.

Computer Aided Chemical Engineering, 2023, 52, 255–260

Optimal control policies of a crystallization process using inverse reinforcement learning

Anandan, P. D.; Rielly, C. D.; Benyahia, B.

Computer Aided Chemical Engineering, 2022, Vol. 51, pp 1093–1098

Continuous manufacturing technologies in upstream pharmaceutical supply chains: combining engineering and managerial criteria

Aulakh, P. K.; Settanni, E.; Srai, J. S.

Journal of Multi-Criteria Decision Analysis, 2022, 29(3–4), 298–312

Digital design and optimization of an integrated reaction-extraction-crystallization-filtration continuous pharmaceutical process

Campbell, T. J. S.; Rielly, C. D.; Benyahia, B.

Computer Aided Chemical Engineering, 2022, Vol. 51, pp 775–780

Temperature correction of spectra to improve solute concentration monitoring by in situ UV and mid-infrared spectrometries toward isothermal local model performance

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.

Organic Process Research & Development, 2022, 26(11), 3096–3105

Crystal structure of a copper–mefenamate complex solvated with diglyme and water

Chong, M. W. S.; Ottoboni, S.; Martin, A. R. G.; Bowering, D.; Price, C. J.; Nordon, A.; Oswald, I. D. H.; Ward, M. R.

Acta Crystallographica Section E, 2022, 78(12), 1209–1212

Direct image feature extraction and multivariate analysis for crystallization process characterization

Doerr, F. J. S.; Brown, C. J.; Florence, A. J.

Crystal Growth & Design, 2022, 22(4), 2105–2116

Determination of H-atom positions in organic crystal structures by NEXAFS combined with density functional theory: a study of two-component systems containing isonicotinamide

Edwards, P. T.; Saunders, L. K.; Grinter, D. C.; Ferrer, P.; Held, G.; Shotton, E. J.; Schroeder, S. L. M.

Journal of Physical Chemistry A, 2022, 126(19), 2889–2898

100

Functionalisation of inorganic material surfaces with Staphylococcus Protein A: a molecular dynamics study

Farouq, M. A. H.; Kubiak-Ossowska, K.; Al Qaraghuli, M. M.; Ferro, V. A.; Mulheran, P. A.

International Journal of Molecular Sciences, 2022, 23(9), 4832

101

A new method for assessing powder flowability based on physical properties and cohesiveness of particles using a small quantity of samples

Garg, V.; Deng, T.; Bradley, M. S. A.

Powder Technology, 2022, 395, 708–719

102

The unexpected dominance of secondary over primary nucleation

Hoffmann, J.; Flannigan, J.; Cashmore, A.; Lucia Briuglia, M.; Steendam, R. R. E.; Gerard, C.; Haw, M.; Sefcik, J.; ter Horst, J.

Faraday Discussions, 2022

103

Effect of batch-to-batch variation of spray dried lactose on the performance of feeders

Janssen, P. H. M.; Kulkarni, S. S.; Torrecillas, C. M.; Tegel, F.; Weinekoetter, R.; Meir, B.; Dickhoff, B. H. J.

Powder Technology, 2022, 409, 117776

104

Configuration of digital and physical infrastructure platforms: private and public perspectives

Joglekar, N.; Anderson Jr, E. G.; Lee, K.; Parker, G.; Settanni, E.; Srai, J. S.

Production and Operations Management, 2022, 31(12), 4515–4528

105

Linked experimental and modelling approaches for tablet property predictions

Jolliffe, H. G.; Ojo, E.; Mendez, C.; Houson, I.; Elkes, R.; Reynolds, G.; Kong, A.; Meehan, E.; Becker, F. A.; Piccione, P. M.; Verma, S.; Singaraju, A.; Halbert, G.; Robertson, J.

International Journal of Pharmaceutics, 2022, 626, 122116

106

Comparative investigation of membrane systems for crystallization and spherical agglomeration

Lackowska, I.; Dragosavac, M.; Benyahia, B.

3rd International Online Conference on Crystals, SciForum, 2022

107

CrystalGrowthTracker: a Python package to analyse crystal face advancement rates from time lapse synchrotron radiography

Leng, J.; Pickering, J. H.; Schroeder, S. L. M.; Das, G.

Journal of Open Source Software, 2022, 7(79)

108

Tuning shape and size of mefenamic acid crystals using wet-milling and sonication aided direct nucleation control

Li, W.; Benyahia, B.; Rielly, C. D.

3rd International Online Conference on Crystals, SciForum, 2022

109

Optimal start-up strategies of a combined cooling and antisolvent multistage continuous crystallization process

Liu, J. X.; Benyahia, B.

Computers & Chemical Engineering, 2022, 159, 107671

110

Targeting desired particle size for improved dissolution and manufacturability of mefenamic acid

Li, W.; Rielly, C. D.; Benyahia, B.

Chemistry Proceedings, 2022, 9(1), 21

111

Phase diagram determination and process development for continuous antisolvent crystallizations

Mack, C.; Hoffmann, J.; Sefcik, J.; ter Horst, J. H.

Crystals, 2022, 12(8), 1102

112

Investigating the role of excipients on the physical stability of directly compressed tablets

Maclean, N.; Khadra, I.; Mann, J.; Williams, H.; Abbott, A.; Mead, H.; Markl, D.

International Journal of Pharmaceutics: X, 2022, 4, 100106

113

Data mining crystallization kinetics

Maldonado, D. A.; Vassileiou, A.; Johnston, B.; Florence, A. J.; Brown, C. J.

Digital Discovery, 2022

114

Temperature dependence of solubility predicted from thermodynamic data measured at a single temperature: application to α, β, and γ-glycine

Manson, A.; Sefcik, J.; Lue, L.

Crystal Growth & Design, 2022, 22(3), 1691–1706

115

Continuous crystallisation of organic salt polymorphs

McGinty, J.; Svoboda, V.; MacFhionnghaile, P.; Wheatcroft, H.; Price, C. J.; Sefcik, J.

Frontiers in Chemical Engineering, 2022, 4

116

Tuning interfacial concentration enhancement through dispersion interactions to facilitate heterogeneous nucleation

McKechnie, D.; Mulheran, P. A.; Sefcik, J.; Johnston, K.

Journal of Physical Chemistry C, 2022, 126(38), 16387–16400

117

Modeling diffusive mixing in antisolvent crystallization

Miller, R.; Sefcik, J.; Lue, L.

Crystal Growth & Design, 2022, 22(4), 2192–2207

118

Model-based solvent selection for integrated synthesis, crystallisation and isolation processes

Muhieddine, M. H.; Jonuzaj, S.; Viswanath, S. K.; Armstrong, A.; Galindo, A.; Adjiman, C. S.

Computer Aided Chemical Engineering, 2022, Vol. 51, pp 601–606

119

Analysis of THz scattering of compacted granular materials using THz-TDS

Murphy, K. N.; Naftaly, M.; Nordon, A.; Markl, D.

47th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz), 2022, pp 1–2

120

Polymer pellet fabrication for accurate THz-TDS measurements

Murphy, K. N.; Naftaly, M.; Nordon, A.; Markl, D.

Applied Sciences, 2022, 12(7), 3475

121

Prediction of mefenamic acid crystal shape by random forest classification

Nakapraves, S.; Warzecha, M.; Mustoe, C. L.; Srirambhatla, V.; Florence, A. J.

Pharmaceutical Research, 2022, 39(12), 3099–3111

122

Meta-learning adaptive knowledge distillation for efficient biomedical natural language processing

Obamuyide, A.; Johnston, B.

Findings of the Association for Computational Linguistics: AACL-IJCNLP, 2022

123

Digital design of filtration and washing of active pharmaceutical ingredients via mechanistic modeling

Ottoboni, S.; Brown, C. J.; Mehta, B.; Jimeno, G.; Mitchell, N. A.; Sefcik, J.; Price, C. J.

Organic Process Research & Development, 2022, 26(12), 3236–3253

124

Autonomous DataFactory: high-throughput screening for large-scale data collection to inform medicine manufacture

Pickles, T.; Mustoe, C.; Brown, C.; Florence, A.

British Journal of Pharmacy, 2022, 7(2)

125

Crystal structure and twisted aggregates of oxcarbazepine Form III

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 Growth & Design, 2022, 22(7), 4146–4156

126

Mefenamic acid solid dispersions: impact of formulation composition on processing parameters, product properties and performance

Prasad, E.; Robertson, J.; Halbert, G. W.

International Journal of Pharmaceutics, 2022, 121505

127

Where have all the equations gone? A unified view on semi-quantitative problem structuring and modelling

Settanni, E.; Heijungs, R.; Srai, J. S.

Journal of the Operational Research Society, 2022, 1–20

128

Exploring interdependencies in digital supply chain transformations using gamification and visual-interactive techniques

Settanni, E.; Srai, J.

University of Cambridge, 2022

129

Employing constant rate filtration to assess active pharmaceutical ingredient washing efficiency

Shahid, M.; Faure, C.; Ottoboni, S.; Lue, L.; Price, C.

Organic Process Research & Development, 2022, 26(1), 97–110

130

Effect of oscillatory flow conditions on crystalliser fouling investigated through non-invasive imaging

Sheridan, R.; Cardona, J.; Tachtatzis, C.; Chen, Y.-C.; Cleary, A.; Briggs, N.; Florence, A.; Atkinson, R.; Michie, C.; Andonovic, I.; Sefcik, J.

Chemical Engineering Science, 2022, 252, 117188

131

Rational and practical considerations to guide a target product profile for patient-centric drug product development with measurable patient outcomes

Stegemann, S.; Sheehan, L.; Rossi, A.; Barrett, A.; Paudel, A.; Crean, A.; Ruiz, F.; Bresciani, M.; Liu, F.; Shariff, Z.; et al.

European Journal of Pharmaceutics and Biopharmaceutics, 2022, 177, 81–88

132

Use of wet milling combined with temperature cycling to minimize crystal agglomeration in a sequential antisolvent-cooling crystallization

Sun, Z.; Quon, J. L.; Papageorgiou, C. D.; Benyahia, B.; Rielly, C. D.

Crystal Growth & Design, 2022, 22(8), 4730–4744

133

Co-crystal phase diagram determination by the solution addition method

Svoboda, V.; Venkatramanan, R.; Jaap, M.; Lue, L.; ter Horst, J. H.; Sefcik, J.

Crystal Growth & Design, 2022, 22(5), 3376–3384

134

Manufacture of tablets with structurally-controlled drug release using rapid tooling injection moulding

Walsh, E.; Maclean, N.; Turner, A.; Alsuleman, M.; Prasad, E.; Halbert, G.; Ter Horst, J. H.; Markl, D.

International Journal of Pharmaceutics, 2022, 624, 121956

135

Precrystallization solute assemblies and crystal symmetry

Warzecha, M.; Verma, L.; Chakrabarti, R.; Hadjiev, V. G.; Florence, A. J.; Palmer, J. C.; Vekilov, P. G.

Faraday Discussions, 2022, 235, 307–321

136

Predicting pharmaceutical crystal morphology using artificial intelligence

Wilkinson, M. R.; Martinez-Hernandez, U.; Huggon, L. K.; Wilson, C. C.; Dominguez, B. C.

CrystEngComm, 2022, 24(43), 7545–7553

137

Images of chemical structures as molecular representations for deep learning

Wilkinson, M. R.; Martinez-Hernandez, U.; Wilson, C. C.; Castro-Dominguez, B.

Journal of Materials Research, 2022, 37(14), 2293–2303

138

Combined optimization of start-up, shutdown and grade transition of a multistage continuous crystallization process

Liu, J.; Benyahia, B.

Computer Aided Chemical Engineering, 2022, pp 181–186

138

Terahertz pulsed imaging as a new method for investigating the liquid transport kinetics of α-alumina powder compacts

Al-Sharabi, M.; Markl, D.; Vivacqua, V.; Bawuah, P.; MacLean, N.; Bentley, M.; York, A. P. E.; Marigo, M.; Huang, K.; Zeitler, J. A.

Chemical Engineering Research and Design, 2021, 165, 386–397

139

A fast and non-destructive terahertz dissolution assay for immediate release tablets

Bawuah, P.; Markl, D.; Turner, A.; Evans, M.; Portieri, A.; Farrell, D.; Lucas, R.; Anderson, A.; Goodwin, D. J.; Zeitler, J. A.

Journal of Pharmaceutical Sciences, 2021, 110(5), 2083–2092

140

Control of batch and continuous crystallization processes using reinforcement learning

Benyahia, B.; Anandan, P. D.; Rielly, C.

Computer Aided Chemical Engineering, 2021, Vol. 50, pp 1371–1376

141

Heat transfer and residence time distribution in plug flow continuous oscillatory baffled crystallizers

Briggs, N. E. B.; McGinty, J.; McCabe, C.; Raval, V.; Sefcik, J.; Florence, A. J.

ACS Omega, 2021, 6(28), 18352–18363

142

Process modeling and optimization of continuous chiral resolution by integration of membrane and crystallization technologies

Capdevila-Echeverria, J.; Wang, J.; Lakerveld, R.; ter Horst, J. H.

Journal of Membrane Science, 2021, 632, 119359

143

A study of particle adhesion for cohesive powders using a novel mechanical surface energy tester

Deng, T.; Garg, V.; Bradley, M. S. A.

Powder Technology, 2021, 391, 46–56

144

Proton transfer on the edge of the salt/cocrystal continuum: X-ray photoelectron spectroscopy of three isonicotinamide salts

Edwards, P. T.; Saunders, L. K.; Pallipurath, A. R.; Britton, A. J.; Willneff, E. A.; Shotton, E. J.; Schroeder, S. L. M.

Crystal Growth & Design, 2021, 21(11), 6332–6340

145

Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: solubility prediction and experimental measurement

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.

Fluid Phase Equilibria, 2021, 113002

146

Pressure-induced superelastic behaviour of isonicotinamide

Jones, E. C. L.; Bebiano, S. S.; Ward, M. R.; Bimbo, L. M.; Oswald, I. D. H.

Chemical Communications, 2021, 57(89), 11827–11830

147

Multi-criteria assessment of continuous manufacturing reactor technologies in upstream pharmaceutical supply chains

Kaur Aulakh, P.; Settanni, E.; Srai, J. S.

SSRN Electronic Journal, 2021

148

Exploring the performance-controlling tablet disintegration mechanisms for direct compression formulations

Maclean, N.; Walsh, E.; Soundaranathan, M.; Khadra, I.; Mann, J.; Williams, H.; Markl, D.

International Journal of Pharmaceutics, 2021, 599, 120221

149

Tablet disintegration performance: effect of compression pressure and storage conditions on surface liquid absorption and swelling kinetics

Markl, D.; Maclean, N.; Mann, J.; Williams, H.; Abbott, A.; Mead, H.; Khadra, I.

International Journal of Pharmaceutics, 2021, 601, 120382

150

A novel integrated workflow for isolation solvent selection using prediction and modeling

Ottoboni, S.; Wareham, B.; Vassileiou, A.; Robertson, M.; Brown, C. J.; Johnston, B.; Price, C. J.

Organic Process Research & Development, 2021

151

Bulk and surface conformations in solid-state lovastatin: spectroscopic and molecular dynamics studies

Pallipurath, A. R.; Skelton, J. M.; Britton, A.; Willneff, E. A.; Schroeder, S. L. M.

Crystals, 2021, 11(5), 509

152

Mannitol crystallization at sub-zero temperatures: time/temperature-resolved synchrotron X-ray diffraction study and the phase diagram

Rodrigues, M. A.; Rego, P.; Geraldes, V.; Connor, L. E.; Oswald, I. D. H.; Sztucki, M.; Shalaev, E.

Journal of Physical Chemistry Letters, 2021, 12(5), 1453–1460

153

A quantum crystallographic approach to short hydrogen bonds

Saunders, L. K.; Pallipurath, A. R.; Gutmann, M. J.; Nowell, H.; Zhang, N.; Allan, D. R.

CrystEngComm, 2021, 23(35), 6180–6190

154

Exploring the role of anti-solvent effects during washing on active pharmaceutical ingredient purity

Shahid, M.; Sanxaridou, G.; Ottoboni, S.; Lue, L.; Price, C.

Organic Process Research & Development, 2021, 25(4), 969–981

155

Effect of oscillatory flow conditions on crystalliser fouling investigated through non-invasive imaging

Sheridan, R.; Cardona, J.; Tachtatzis, C.; Chen, Y.-C.; Cleary, A.; Briggs, N.; Florence, A.; Atkinson, R.; Michie, C.; Andonovic, I.; Sefcik, J.

Chemical Engineering Science, 2021, 117188

156

Review of sensing technologies for measuring powder density variations during pharmaceutical solid dosage form manufacturing

Stranzinger, S.; Markl, D.; Khinast, J. G.; Paudel, A.

TrAC Trends in Analytical Chemistry, 2021, 135, 116147

157

Impact of impurities on crystallization and product quality: a case study with paracetamol

Urwin, S. J.; Yerdelen, S.; Houson, I.; ter Horst, J. H.

Crystals, 2021, 11(11), 1344

158

How to identify the crystal growth unit

Verma, L.; Warzecha, M.; Chakrabarti, R.; Hadjiev, V. G.; Palmer, J. C.; Vekilov, P. G.

Israel Journal of Chemistry, 2021, 61(11–12), 818–827

159

The ambiguous functions of the precursors that enable nonclassical modes of olanzapine nucleation and growth

Warzecha, M.; Florence, A. J.; Vekilov, P. G.

Crystals, 2021, 11(7), 738

160

Computer aided design of solvent blends for hybrid cooling and antisolvent crystallization of active pharmaceutical ingredients

Watson, O. L.; Jonuzaj, S.; McGinty, J.; Sefcik, J.; Galindo, A.; Jackson, G.; Adjiman, C. S.

Organic Process Research & Development, 2021, 25(5), 1123–1142

161

Investigation of wet milling and indirect ultrasound as means for controlling nucleation in the continuous crystallization of an active pharmaceutical ingredient

Yang, Y.; Ahmed, B.; Mitchell, C.; Quon, J. L.; Siddique, H.; Houson, I.; Florence, A. J.; Papageorgiou, C. D.

Organic Process Research & Development, 2021, 25(9), 2119–2132

162

Engineering a new access route to metastable polymorphs with electrical confinement

Al-Ani, A. J.; Herdes, C.; Wilson, C. C.; Castro-Dominguez, B.

Crystal Growth & Design, 2020, 20(3), 1451–1457

163

Hydrophilic and hydrophobic interactions in concentrated aqueous imidazole solutions: a neutron diffraction and total X-ray scattering study

Al-Madhagi, L. H.; Callear, S. K.; Schroeder, S. L. M.

Physical Chemistry Chemical Physics, 2020, 22(9), 5105–5113

164

Simultaneous investigation of the liquid transport and swelling performance during tablet disintegration

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.

International Journal of Pharmaceutics, 2020, 584, 119380

165

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

Almeida, J.; Bezerra, M.; Markl, D.; Berghaus, A.; Borman, P.; Schlindwein, W.

Pharmaceutics, 2020, 12(2), 150

166

Terahertz-based porosity measurement of pharmaceutical tablets: a tutorial

Bawuah, P.; Markl, D.; Farrell, D.; Evans, M.; Portieri, A.; Anderson, A.; Goodwin, D.; Lucas, R.; Zeitler, J. A.

Journal of Infrared, Millimeter, and Terahertz Waves, 2020, 41(4), 450–469

167

Effect of chirality on the compression of 2-(2-oxo-1-pyrrolidinyl)butyramide: a tale of two crystals

Bebiano, S. S.; Ter Horst, J. H.; Oswald, I. D. H.

Crystal Growth & Design, 2020, 20(10), 6731–6744

168

Time-resolved X-ray phase-contrast imaging (XPCI) of nucleation and crystal growth in the anti-solvent crystallization of lovastatin (pre-print)

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.; Schroeder, S. L. M.

ChemRxiv, 2020 (preprint)

169

Peptide isolation via spray drying: particle formation, process design and implementation for the production of spray dried glucagon

Doerr, F. J. S.; Burns, L. J.; Lee, B.; Hinds, J.; Davis-Harrison, R. L.; Frank, S. A.; Florence, A. J.

Pharmaceutical Research, 2020, 37(12), 255

170

A micro-XRT image analysis and machine learning methodology for the characterisation of multi-particulate capsule formulations

Doerr, F. J. S.; Florence, A. J.

International Journal of Pharmaceutics: X, 2020, 2, 100041

171

Quantification of particle size and concentration using in-line techniques and multivariate analysis

Ferreira, C.; Cardona, J.; Agimelen, O.; Tachtatzis, C.; Andonovic, I.; Sefcik, J.; Chen, Y.-C.

Powder Technology, 2020, 376, 1–11

172

Understanding risk in pharmaceutical supply chains

Geyman, C.; Settanni, E.; Srai, J. S.

University of Cambridge, Institute for Manufacturing, 2020

173

Expanding the applications of the SAFT-γ Mie group-contribution equation of state: prediction of thermodynamic properties and phase behavior of mixtures

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.

Journal of Chemical & Engineering Data, 2020, 65(12), 5862–5890

174

From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC workflows

Hatcher, L. E.; Burgess, A. J.; Payne, P.; Wilson, C. C.

CrystEngComm, 2020

175

Tuning morphology in active pharmaceutical ingredients: controlling the crystal habit of lovastatin through solvent choice and non-size-matched polymer additives

Hatcher, L. E.; Li, W.; Payne, P.; Benyahia, B.; Rielly, C. D.; Wilson, C. C.

Crystal Growth & Design, 2020, 20(9), 5854–5862

176

Computer-aided solvent mixture design for the crystallisation and isolation of mefenamic acid

Jonuzaj, S.; Watson, O. L.; Ottoboni, S.; Price, C. J.; Sefcik, J.; Galindo, A.; Jackson, G.; Adjiman, C. S.

Computer Aided Chemical Engineering, 2020, Vol. 48, pp 649–654

177

Process control (chapter in The Handbook of Continuous Crystallization)

Lakerveld, R.; Benyahia, B.

The Handbook of Continuous Crystallization, Royal Society of Chemistry, 2020, pp 172–218

178

Dynamic crystallization pathways of polymorphic pharmaceuticals revealed in segmented flow with inline powder X-ray diffraction

Levenstein, M. A.; Wayment, L.; Scott, C. D.; Lunt, R.; Flandrin, P.-B.; Day, S. J.; Tang, C. C.; Wilson, C. C.; Meldrum, F. C.; Kapur, N.; Robertson, K.

Analytical Chemistry, 2020, 92(11), 7754–7761

179

Innovation in next generation production platforms

Majchrzak, A.; Netland, N.; Srai, J. S.

World Economic Forum whitepaper, 2020

180

Review of real-time release testing of pharmaceutical tablets: state-of-the-art, challenges and future perspective

Markl, D.; Warman, M.; Dumarey, M.; Bergman, E.-L.; Folestad, S.; Shi, Z.; Manley, L. F.; Goodwin, D. J.; Zeitler, J. A.

International Journal of Pharmaceutics, 2020, 582, 119353

181

Effect of process conditions on particle size and shape in continuous antisolvent crystallisation of lovastatin

McGinty, J.; Chong, M. W. S.; Manson, A.; Brown, C. J.; Nordon, A.; Sefcik, J.

Crystals, 2020, 10(10), 925

182

Nucleation and crystal growth in continuous crystallization (chapter in The Handbook of Continuous Crystallization)

McGinty, J.; Yazdanpanah, N.; Price, C.; ter Horst, J. H.; Sefcik, J.

The Handbook of Continuous Crystallization, Royal Society of Chemistry, 2020, pp 1–50

183

Interfacial concentration effect facilitates heterogeneous nucleation from solution

McKechnie, D.; Anker, S.; Zahid, S.; Mulheran, P. A.; Sefcik, J.; Johnston, K.

Journal of Physical Chemistry Letters, 2020, 11(6), 2263–2271

184

Measuring open porosity of porous materials using THz-TDS and an index-matching medium

Naftaly, M.; Tikhomirov, I.; Hou, P.; Markl, D.

Sensors, 2020, 20(11), 3120

185

Solid-liquid axial dispersion performance of a mesoscale continuous oscillatory flow crystalliser with smooth periodic constrictions using a non-invasive dual backlit imaging technique

Onyemelukwe, I. I.; Nagy, Z. K.; Rielly, C. D.

Chemical Engineering Journal, 2020, 382, 122862

186

Understanding API static drying with hot gas flow: design and test of a drying rig prototype and drying modeling development

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.

Organic Process Research & Development, 2020

187

Developing a batch isolation procedure and running it in an automated semicontinuous unit: AWL CFD25 case study

Ottoboni, S.; Shahid, M.; Steven, C.; Coleman, S.; Meehan, E.; Barton, A.; Firth, P.; Sutherland, R.; Price, C. J.

Organic Process Research & Development, 2020, 24(4), 520–539

188

Understanding effect of filtration and washing on dried product: paracetamol case study

Ottoboni, S.; Simurda, M.; Wilson, S.; Irvine, A.; Ramsay, F.; Price, C. J.

Powder Technology, 2020

189

In situ non-invasive Raman spectroscopic characterisation of succinic acid polymorphism during segmented flow crystallisation

Pallipurath, A. R.; Flandrin, P.-B.; Wayment, L. E.; Wilson, C. C.; Robertson, K.

Molecular Systems Design & Engineering, 2020, 5(1), 294–303

190

Concurrent antisolvent electrospraying: a novel continuous crystallization technique

Perge, L.; Grols, J.; Segura, D. F.; Al-Ani, A.; Wilkinson, M.; Castro-Dominguez, B.

Journal of Pharmaceutical Sciences, 2020, 109(10), 3027–3034

191

Improving consistency for a mefenamic acid immediate release formulation

Prasad, E.; Robertson, J.; Halbert, G. W.

Journal of Pharmaceutical Sciences, 2020, 109(11), 3462–3470

192

Continuous isolation of active pharmaceutical ingredients (chapter in The Handbook of Continuous Crystallization)

Price, C. J.; Barton, A.; Coleman, S. J.

The Handbook of Continuous Crystallization, Royal Society of Chemistry, 2020, pp 469–507

193

Investigation of metastable zones and induction times in glycine crystallisation across three different antisolvents

Ramakers, L. A. I.; McGinty, J.; Beckmann, W.; Levilain, G.; Lee, M.; Wheatcroft, H.; Houson, I.; Sefcik, J.

Crystal Growth & Design, 2020

194

Development and characterisation of a cascade of moving baffle oscillatory crystallisers (CMBOC)

Raval, V.; Siddique, H.; Brown, C. J.; Florence, A. J.

CrystEngComm, 2020, 22(13), 2288–2296

195

Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for X-ray photoelectron spectroscopy instruments using low-density polyethylene

Reed, B. P.; Cant, D. J. H.; Spencer, S. J.; Schroeder, S. L. M.; et al.

Journal of Vacuum Science & Technology A, 2020, 38(6), 063208

196

Those who do not move, do not notice their (supply) chains — inconvenient lessons from disruptions related to COVID-19

Settanni, E.

AI & Society, 2020, 1–7

197

Where have all the equations gone? The forgotten algebra of qualitative structural modelling

Settanni, E.; Heijungs, R.; Srai, J.

SSRN Electronic Journal, 2020

198

Quantification of swelling characteristics of pharmaceutical particles

Soundaranathan, M.; Vivattanaseth, P.; Walsh, E.; Pitt, K.; Johnston, B.; Markl, D.

International Journal of Pharmaceutics, 2020, 590, 119903

199

Evaluating the business case for continuous manufacturing of pharmaceuticals: a supply network perspective

Srai, J. S.; Settanni, E.; Aulakh, P. K.

AAPS Advances in the Pharmaceutical Sciences Series, 2020, Vol. 42

200

Reversible, two-step single-crystal to single-crystal phase transitions between desloratadine Forms I, II, and III

Srirambhatla, V. K.; Guo, R.; Dawson, D. M.; Price, S. L.; Florence, A. J.

Crystal Growth & Design, 2020, 20(3), 1800–1810

201

Core level spectroscopies locate hydrogen in the proton transfer pathway — identifying quasi-symmetrical hydrogen bonds in the solid state

Stevens, J. S.; Coultas, S.; Jaye, C.; Fischer, D. A.; Schroeder, S. L. M.

Physical Chemistry Chemical Physics, 2020, 22(9), 4916–4923

202

A structured approach to cope with impurities during industrial crystallization development

Urwin, S. J.; Levilain, G.; Marziano, I.; Merritt, J. M.; Houson, I.; Ter Horst, J. H.

Organic Process Research & Development, 2020, 24(8), 1443–1456

203

Hidden solvates and transient forms of trimesic acid

Ward, M. R.; Oswald, I. D. H.

Crystals, 2020, 10(12), 1098

204

Olanzapine crystal symmetry originates in preformed centrosymmetric solute dimers

Warzecha, M.; Verma, L.; Johnston, B. F.; Palmer, J. C.; Florence, A. J.; Vekilov, P. G.

Nature Chemistry, 2020, 12(10), 914–920

206

Engineering of acetaminophen particle attributes using a wet milling crystallisation platform

Ahmed, B.; Brown, C. J.; McGlone, T.; Bowering, D. L.; Sefcik, J.; Florence, A. J.

International Journal of Pharmaceutics, 2019, 554, 201–211

207

A new mathematical model for nucleation of spherical agglomerates by the immersion mechanism

Arjmandi-Tash, O.; Tew, J. D.; Pitt, K.; Smith, R.; Litster, J. D.

Chemical Engineering Science: X, 2019, 4, 100048

208

Use of terahertz-Raman spectroscopy to determine solubility of the crystalline active pharmaceutical ingredient in polymeric matrices during hot melt extrusion

Bordos, E.; Islam, M. T.; Florence, A. J.; Halbert, G. W.; Robertson, J.

Molecular Pharmaceutics, 2019, 16, 4361

209

Measuring secondary nucleation through single crystal seeding

Briuglia, M. L.; Sefcik, J.; ter Horst, J. H.

Crystal Growth & Design, 2019, 19(1), 421–429

210

A versatile liquid-jet/sessile droplet system for operando studies of reactions in liquid dispersions and solutions by X-ray absorption spectroscopy

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.

Reaction Chemistry & Engineering, 2019, 4(4), 679–687

211

Structural investigation and compression of a co-crystal of indomethacin and saccharin

Connor, L. E.; Vassileiou, A. D.; Halbert, G. W.; Johnston, B. F.; Oswald, I. D. H.

CrystEngComm, 2019

212

Resolution control in a continuous preferential crystallization process

Dunn, A. S.; Svoboda, V.; Sefcik, J.; ter Horst, J. H.

Organic Process Research & Development, 2019, 23(9), 2031–2041

213

Quantification of inkjet-printed pharmaceuticals on porous substrates using Raman spectroscopy and near-infrared spectroscopy

Edinger, M.; Iftimi, L.-D.; Markl, D.; Al-Sharabi, M.; Bar-Shalom, D.; Rantanen, J.; Genina, N.

AAPS PharmSciTech, 2019, 20, 207

214

Intramolecular bonding in a statistical associating fluid theory of ring aggregates

Febra, S. A.; Aasen, A.; Adjiman, C. S.; Jackson, G.; Galindo, A.

Molecular Physics, 2019, 1–29

215

A framework for model reliability and estimability analysis of crystallization processes with multi-impurity multi-dimensional population balance models

Fysikopoulos, D.; Benyahia, B.; Borsos, A.; Nagy, Z. K.; Rielly, C. D.

Computers & Chemical Engineering, 2019, 122, 275–292

216

Reactive crystallization of paracetamol in a continuous oscillatory baffled reactor

Jiang, M.; Ni, X.-W.

Organic Process Research & Development, 2019, 23, 882–890

217

Effects of solvents and impurity on crystallization kinetics and crystal properties in a reactive crystallization of paracetamol

Jiang, M.; Ni, X.-W.

Journal of Crystal Growth, 2019, 523, 125150

218

Smoothed particle hydrodynamics — a new approach for modeling flow in oscillatory baffled reactors

Jimeno, G.; Lee, Y. C.; Ni, X.-W.

Computers & Chemical Engineering, 2019, 124, 14–27

219

Improving the prediction of multi-component tablet properties from pure component parameters

Jolliffe, H. G.; Papathanasiou, F.; Prasad, E.; Halbert, G.; Robertson, J.; Brown, C. J.; Florence, A. J.

Computer Aided Chemical Engineering, 2019, Vol. 46, pp 883–888

220

High-pressure study of two polymorphs of 2,4,6-trinitrotoluene using neutron powder diffraction and density functional theory methods

Konar, S.; Michalchuk, A. A. L.; Sen, N.; Bull, C. L.; Morrison, C. A.; Pulham, C. R.

Journal of Physical Chemistry C, 2019, 123(43), 26095–26105

221

Development of synchrotron pink beam X-ray grating interferometer at the Diamond Light Source I13-2 beamline

Marathe, S.; Storm, M.; Kuppilli, V. S. C.; Harrison, R.; Das, G.; Schroeder, S. L. M.; Cipiccia, S.; Döring, F.; David, C.; Rau, C.

SPIE Proceedings, 2019, Vol. 11113

222

The impact of channel fill level on internal forces during continuous twin screw wet granulation

Mendez Torrecillas, C.; Gorringe, L. J.; Rajoub, N.; Robertson, J.; Elkes, R. G.; Lamprou, D. A.; Halbert, G. W.

International Journal of Pharmaceutics, 2019, 558, 91–100

223

Predicting the reactivity of energetic materials: an ab initio multi-phonon approach

Michalchuk, A. A. L.; Trestman, M.; Rudić, S.; Portius, P.; Fincham, P. T.; Pulham, C. R.; Morrison, C. A.

Journal of Materials Chemistry A, 2019, 7(33), 19539–19553

224

Solid-liquid axial dispersion performance of a mesoscale continuous oscillatory flow crystalliser with smooth periodic constrictions using a non-invasive dual backlit imaging technique

Onyemelukwe, I.; Nagy, Z. K.; Rielly, C. D.

Chemical Engineering Journal, 2019

225

The role of residence time distribution in the continuous steady-state mixed suspension mixed product removal crystallization of glycine

Onyemelukwe, I. I.; Parsons, A. R.; Wheatcroft, H. P.; Robertson, A.; Nagy, Z. K.; Rielly, C. D.

Crystal Growth & Design, 2019, 19, 66–80

226

Development of a hot-melt extrusion (HME) process to produce drug loaded Affinisol™ 15LV filaments for fused filament fabrication (FFF) 3D printing

Prasad, E.; Islam, M. T.; Goodwin, D. J.; Megarry, A. J.; Halbert, G. W.; Florence, A. J.; Robertson, J.

Additive Manufacturing, 2019, 29, 100776

227

Fast multi-scale imaging using the Beamline I13L at the Diamond Light Source

Rau, C.; Storm, M.; Marathe, S.; Bodey, A.; Zdora, M.; Cipiccia, S.; Batey, D.; Shi, X.; Schroeder, S. M. L.; Das, G.; et al.

SPIE Proceedings, 2019, Vol. 11113

228

The role of collaborative e-sourcing in supply chain digitalization scenarios: a gamification-enabled structural model

Srai, J. S.

2019

229

Collaboration as the best medicine

Srai, J. S.; Badman, C.

Chimica Oggi — Chemistry Today, 2019, 37(1), 56–59

230

Supply chain digital twins: opportunities and challenges beyond the hype

Srai, J. S.; Settanni, E.; Tsolakis, N.; Aulakh, P. K.

23rd Cambridge International Manufacturing Symposium, University of Cambridge, 2019

231

Measuring bulk density variations in a moving powder bed via terahertz in-line sensing

Stranzinger, S.; Faulhammer, E.; Li, J.; Dong, R.; Khinast, J. G.; Zeitler, J. A.; Markl, D.

Powder Technology, 2019, 344, 152–160

232

Process monitoring and fault detection on a hot-melt extrusion process using in-line Raman spectroscopy and a hybrid soft sensor

Tahir, F.; Islam, M. T.; Mack, J.; Robertson, J.; Lovett, D.

Computers & Chemical Engineering, 2019, 125, 400–414

233

Habit modification of the active pharmaceutical ingredient lovastatin through a predictive solvent selection approach

Turner, T. D.; Hatcher, L. E.; Wilson, C. C.; Roberts, K. J.

Journal of Pharmaceutical Sciences, 2019, 108(5), 1779–1787

234

Conundrum of γ glycine nucleation revisited: to stir or not to stir?

Vesga, M. J.; McKechnie, D.; Mulheran, P. A.; Johnston, K.; Sefcik, J.

CrystEngComm, 2019, 21, 2234–2243

235

Antisolvent addition at extreme conditions

Ward, M. R.; Oswald, I. D. H.

CrystEngComm, 2019

236

Computer-aided design of solvent blends for the cooling and anti-solvent crystallisation of ibuprofen

Watson, O. L.; Galindo, A.; Jackson, G.; Adjiman, C. S.

Computer Aided Chemical Engineering, 2019, Vol. 46, pp 949–954

237

Unraveling the impact of high-order silk structures on molecular drug binding and release behaviors

Wongpinyochit, T.; Vassileiou, A. D.; Gupta, S.; Mushrif, S. H.; Johnston, B. F.; Seib, F. P.

Journal of Physical Chemistry Letters, 2019, 10(15), 4278–4284

238

Toward continuous deracemization via racemic crystal transformation monitored by in situ Raman spectroscopy

Xiouras, C.; Belletti, G.; Venkatramanan, R.; Nordon, A.; Meekes, H.; Vlieg, E.; Stefanidis, G. D.; Ter Horst, J. H.

Crystal Growth & Design, 2019, 19(10), 5858–5868

239

Investigation of molecular and mesoscale clusters in undersaturated glycine aqueous solutions

Zimbitas, G.; Jawor-Baczynska, A.; Vesga, M. J.; Javid, N.; Moore, B. D.; Parkinson, J.; Sefcik, J.

Colloids and Surfaces A, 2019, 579, 123633

237

Multi-sensor inline measurements of crystal size and shape distributions during high shear wet milling of crystal slurries

Agimelen, O. S.; Svoboda, V.; Ahmed, B.; Cardona, J.; Dziewierz, J.; Brown, C. J.; McGlone, T.; et al.

Advanced Powder Technology, 2018, 29, 2987–2995

238

X-ray Raman scattering: a new in situ probe of molecular structure during nucleation and crystallization from liquid solutions

Al-Madhagi, L. H.; Chang, S.-Y.; Balasubramanian, M.; Kroner, A. B.; Shotton, E. J.; Willneff, E. A.; Mishra, B.; Schroeder, S. L. M.

CrystEngComm, 2018, 20(43), 6871–6884

239

A random forest model for predicting crystal packing of olanzapine solvates

Bhardwaj, R. M.; Reutzel-Edens, S. M.; Johnston, B. F.; Florence, A. J.

CrystEngComm, 2018, 20, 3947–3950

240

Enabling precision manufacturing of active pharmaceutical ingredients: workflow for seeded cooling continuous crystallisations

Brown, C. J.; McGlone, T.; Yerdelen, S.; Srirambhatla, V.; Mabbott, F.; Gurung, R.; et al.

Molecular Systems Design & Engineering, 2018

241

Continuous manufacturing in pharmaceutical process development and manufacturing

Burcham, C. L.; Florence, A. J.; Johnson, M. D.

Annual Review of Chemical and Biomolecular Engineering, 2018, 9, 253–281

242

Image analysis framework with focus evaluation for in situ characterisation of particle size and shape attributes

Cardona, J.; Ferreira, C.; McGinty, J.; Hamilton, A.; Agimelen, O. S.; Cleary, A.; et al.

Chemical Engineering Science, 2018, 191, 208–231

243

Successful computationally directed templating of metastable pharmaceutical polymorphs

Case, D. H.; Srirambhatla, V. K.; Guo, R.; Watson, R. E.; Price, L. S.; Polyzois, H.; et al.

Crystal Growth & Design, 2018, 18, 5322–5331

244

Quantitative investigation of particle formation of a model pharmaceutical formulation using single droplet evaporation experiments and X-ray tomography

Doerr, F. J. S.; Oswald, I. D. H.; Florence, A. J.

Advanced Powder Technology, 2018

245

Connecting digital pharma and e-healthcare value networks through product-service design: a conceptual model

Harrington, T. S.; Burge, T. A.

International Journal of Electronic Healthcare, 2018, 10(1-2), 96–129

246

Effects of water and temperature on reaction mechanism and crystal properties in a reactive crystallization of paracetamol

Jiang, M.; Ni, X.-W.

Chemical Engineering and Processing, 2018, 131, 20–26

247

Particle size distributions and performance of preferential crystallization of L-asparagine·H₂O with tailor-made additives

Kongsamai, P.; Flood, C.; ter Horst, J. H.; Flood, A. E.

Chemical Engineering & Technology, 2018, 41(6), 1173–1179

248

Ball-free mechanochemistry: in situ real-time monitoring of pharmaceutical co-crystal synthesis by resonant acoustic mixing

Michalchuk, A. A. L.; Hope, K. S.; Kennedy, S. R.; Blanco, M.; Boldyreva, E.; Pulham, C. R.

Chemical Communications, 2018

249

Crystal shape modification via cycles of growth and dissolution in a tubular crystallizer

Neugebauer, P.; Cardona, J.; Besenhard, M. O.; Peter, A.; Gruber-Woelfler, H.; Tachtatzis, C.; et al.

Crystal Growth & Design, 2018

250

The heat transfer characteristics of a mesoscale continuous oscillatory flow crystalliser with smooth periodic constrictions

Onyemelukwe, I. I.; Benyahia, B.; Reis, N. M.; Nagy, Z. K.; Rielly, C. D.

International Journal of Heat and Mass Transfer, 2018, 123, 1109–1119

251

Impact of paracetamol impurities on face properties: investigating the surface of single crystals using TOF-SIMS

Ottoboni, S.; Chrubasik, M.; Mir Bruce, L.; Nguyen, T. T. H.; Robertson, M.; Johnston, B.; et al.

Crystal Growth & Design, 2018, 18, 2750–2758

252

Development of a novel continuous filtration unit for pharmaceutical process development and manufacturing

Ottoboni, S.; Price, C. J.; Steven, C.; Meehan, E.; Barton, A.; Firth, P.; Mitchell, A.; Tahir, F.

Journal of Pharmaceutical Sciences, 2018

253

Exploring emerging ecosystem boundaries: defining 'the game'

Phillips, M. A.; Srai, J. S.

International Journal of Innovation Management, 2018, 22(8), 1840012

254

Integrated plug flow synthesis and crystallisation of pyrazinamide

Scott, C. D.; Labes, R.; Depardieu, M.; Battilocchio, C.; Davidson, M. G.; Ley, S. V.; Wilson, C. C.; Robertson, K.

Reaction Chemistry & Engineering, 2018, 3, 631–634

255

Combining field data analysis and simulation to evaluate an alternative Just-In-Time clinical trial supply strategy

Settanni, E.; Srai, J.; Kothapalli, V. M.

22nd Cambridge International Manufacturing Symposium, 2018

256

Scaling up temperature cycling-induced deracemization by suppressing nonstereoselective processes

Steendam, R. R. E.; ter Horst, J. H.

Crystal Growth & Design, 2018, 18, 3008–3015

257

Mapping supply dynamics in renewable feedstock enabled industries: a systems theory perspective on 'green' pharmaceuticals

Tsolakis, N.; Srai, J. S.

Operations Management Research, 2018, 11(3-4), 83–104

258

Direct observation of templated two-step nucleation mechanism during olanzapine hydrate formation

Warzecha, M.; Guo, R.; Bhardwaj, R. M.; Reutzel-Edens, S. M.; Price, S. L.; Lamprou, D. A.; Florence, A. J.

Crystal Growth & Design, 2018, 18(10), 5993–6001

259

Modelling of artefacts in estimations of particle size of needle-like particles from laser diffraction measurements

Agimelen, O. S.; Mulholland, A. J.; Sefcik, J.

Chemical Engineering Science, 2017, 158, 445–452

260

Continuous crystallization of paracetamol (acetaminophen) Form II: selective access to a metastable solid form

Agnew, L. R.; McGlone, T.; Wheatcroft, H. P.; Robertson, A.; Parsons, A. R.; Wilson, C. C.

Crystal Growth & Design, 2017, 17(5), 2418–2427

261

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

Ejim, L. N.; Yerdelen, S.; McGlone, T.; Onyemelukwe, I.; Johnston, B.; Florence, A. J.; Reis, N. M.

Chemical Engineering Journal, 2017, 308, 669–682

262

Local vs global estimability analysis of population balance models for crystallization processes

Fysikopoulos, D.; Borsos, A.; Li, W.; Onyemelukwe, I.; Benyahia, B.; Nagy, Z. K.; Rielly, C. D.

Computer Aided Chemical Engineering, 2017, Vol. 40, pp 55–60

263

Spray drying as a reliable route to produce metastable carbamazepine Form IV

Halliwell, R. A.; Bhardwaj, R. M.; Brown, C. J.; Briggs, N. E. B.; Dunn, J.; Robertson, J.; et al.

Journal of Pharmaceutical Sciences, 2017, 106(7), 1874–1880

264

Reconfiguring global pharmaceutical value networks through targeted technology interventions

Harrington, T. S.; Phillips, M. A.; Srai, J. S.

International Journal of Production Research, 2017, 55(5), 1471–1487

265

Combined chemoinformatics approach to solvent library design using clusterSim and multidimensional scaling

Johnston, A.; Bhardwaj-Miglani, R.; Gurung, R.; Vassileiou, A. D.; Florence, A. J.; Johnston, B. F.

Journal of Chemical Information and Modeling, 2017, 57(8), 1807–1815

266

Crystallization diagram for antisolvent crystallization of lactose: using design of experiments to investigate continuous mixing-induced supersaturation

MacFhionnghaile, P.; Svoboda, V.; McGinty, J.; Nordon, A.; Sefcik, J.

Crystal Growth & Design, 2017, 17(5), 2611–2621

267

A novel methodology to study polymodal particle size distributions produced during continuous wet granulation

Mendez Torrecillas, C.; Halbert, G. W.; Lamprou, D. A.

International Journal of Pharmaceutics, 2017, 519(1–2), 230–239

268

Regulatory perspectives on continuous pharmaceutical manufacturing

Nasr, M. M.; Krumme, M.; Matsuda, Y.; Trout, B. L.; Badman, C.; Mascia, S.; et al.

Journal of Pharmaceutical Sciences, 2017

269

Rapid continuous antisolvent crystallization of multi-component systems

Raza, S. A.; Schacht, U.; Svoboda, V.; Edwards, D. P.; Florence, A. J.; Pulham, C. R.; Sefcik, J.; Oswald, I. D. H.

Crystal Growth & Design, 2017, 18(1), 210–218

270

Pharmaceutical supply chain models: a synthesis from a systems view of operations research

Settanni, E.; Harrington, T. S.; Srai, J. S.

Operations Research Perspectives, 2017, 4, 74–95

271

Investigation of the evolution of crystal size and shape during temperature cycling and in the presence of a polymeric additive

Simone, E.; Klapwijk, A. R.; Wilson, C. C.; Nagy, Z. K.

Crystal Growth & Design, 2017, 17(4), 1695–1706

272

Continuous total spontaneous resolution

Steendam, R. R. E.; ter Horst, J. H.

Crystal Growth & Design, 2017, 17(8), 4428–4436

273

Mesoscopic solute-rich clusters in olanzapine solutions

Warzecha, M.; Safari, M. S.; Florence, A. J.; Vekilov, P. G.

Crystal Growth & Design, 2017, 17(12), 6668–6676

274

Integration of in situ imaging and chord length distribution measurements for estimation of particle size and shape

Agimelen, O. S.; Jawor-Baczynska, A.; McGinty, J.; Dziewierz, J.; Tachtatzis, C.; Cleary, A.; et al.

Chemical Engineering Science, 2016, 144, 87–100

275

Controlled production of the elusive metastable Form II of acetaminophen (paracetamol): a fully scalable templating approach in a cooling environment

Agnew, L. R.; Cruickshank, D. L.; McGlone, T.; Wilson, C. C.

Chemical Communications, 2016, 52(46), 7368–7371

276

Prenucleation self-assembly and chiral discrimination mechanisms during solution crystallisation of racemic diprophylline

Brandel, C.; Cartigny, Y.; Coquerel, G.; ter Horst, J. H.; Petit, S.

Chemistry – A European Journal, 2016, 22(45), 16103–16112

277

Scaling of glycine nucleation kinetics with shear rate and glass–liquid interfacial area

Forsyth, C.; Burns, I. S.; Mulheran, P. A.; Sefcik, J.

Crystal Growth & Design, 2016, 16(1), 136–144

278

Understanding stages of supply network emergence in technology commercialisation

Harrington, T. S.; Srai, J. S.

International Journal of Manufacturing Technology and Management, 2016, 1(1), 1

279

Filtration suppresses laser-induced nucleation of glycine in aqueous solutions

Javid, N.; Kendall, T.; Burns, I. S.; Sefcik, J.

Crystal Growth & Design, 2016, 16(8), 4196–4202

280

Tuning crystal morphology of succinic acid using a polymer additive

Klapwijk, A. R.; Simone, E.; Nagy, Z. K.; Wilson, C. C.

Crystal Growth & Design, 2016, 16(8), 4349–4359

281

A novel hot-melt extrusion formulation of albendazole for increasing dissolution properties

Martinez-Marcos, L.; Lamprou, D. A.; McBurney, R. T.; Halbert, G. W.

International Journal of Pharmaceutics, 2016, 499(1–2), 175–185

282

PAT-based design of agrochemical co-crystallization processes: a case-study for the selective crystallization of 1:1 and 3:2 co-crystals

Powell, K. A.; Croker, A.; Rielly, C. D.; Nagy, Z. K.

Chemical Engineering Science, 2016, 152, 95–108

283

Monitoring continuous crystallization of paracetamol in the presence of an additive using an integrated PAT array and multivariate methods

Powell, K. A.; Saleemi, A. N.; Rielly, C. D.; Nagy, Z. K.

Organic Process Research & Development, 2016, 20(3), 626–636

284

Design and evaluation of a mesoscale segmented flow reactor (KRAIC)

Robertson, K.; Flandrin, P.-B.; Klapwijk, A. R.; Wilson, C. C.

Crystal Growth & Design, 2016, 16(8), 4759–4764

285

Distributed manufacturing: scope, challenges and opportunities

Srai, J. S.; Kumar, M.; Graham, G.; Phillips, W.; Tooze, J.; et al.

International Journal of Production Research, 2016, 54(23), 6917–6935

286

Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs

Srirambhatla, V. K.; Guo, R.; Price, S. L.; Florence, A. J.

Chemical Communications, 2016, 52(46), 7384–7386

287

Mathematical modelling and experimental validation of a novel periodic flow crystallization using MSMPR crystallizers

Su, Q.; Rielly, C. D.; Powell, K. A.; Nagy, Z. K.

AIChE Journal, 2016, 63(4), 1313–1327

288

Effect of oscillatory flow on nucleation kinetics of butyl paraben

Yang, H.; Yu, X.; Raval, V.; Makkawi, Y.; Florence, A.

Crystal Growth & Design, 2016, 16(2), 875–886

289

Achieving continuous manufacturing: technologies and approaches for synthesis, workup, and isolation of drug substance

Baxendale, I. R.; Braatz, R. D.; Hodnett, B. K.; Jensen, K. F.; Johnson, M. D.; Sharratt, P.; Sherlock, J. P.; Florence, A. J.

Journal of Pharmaceutical Sciences, 2015, 104(3), 781–791

290

A random forest model for predicting the crystallisability of organic molecules

Bhardwaj, R. M.; Johnston, A.; Johnston, B. F.; Florence, A. J.

CrystEngComm, 2015, 17(23), 4272–4275

291

Measuring induction times and crystal nucleation rates

Brandel, C.; ter Horst, J. H.

Faraday Discussions, 2015, 179, 199–214

292

Seeded crystallization of β-l-glutamic acid in a continuous oscillatory baffled crystallizer

Briggs, N. E. B.; Schacht, U.; Raval, V.; McGlone, T.; Sefcik, J.; Florence, A. J.

Organic Process Research & Development, 2015, 19(12), 1903–1911

293

Characterization and modelling of antisolvent crystallization of salicylic acid in a continuous oscillatory baffled crystallizer

Brown, C. J.; Adelakun, J. A.; Ni, X. W.

Chemical Engineering and Processing, 2015, 97, 180–186

294

Effect of mixing, concentration and temperature on the formation of mesostructured solutions and their role in the nucleation of DL-valine crystals

Jawor-Baczynska, A.; Moore, B. D.; Sefcik, J.

Faraday Discussions, 2015, 179, 141–154

295

Oscillatory flow reactors (OFRs) for continuous manufacturing and crystallization

McGlone, T.; Briggs, N. E. B.; Clark, C. A.; Brown, C. J.; Sefcik, J.; Florence, A. J.

Organic Process Research & Development, 2015, 19(9), 1186–1202

296

Toward continuous crystallization of urea-barbituric acid: a polymorphic co-crystal system

Powell, K. A.; Bartolini, G.; Wittering, K. E.; Saleemi, A. N.; Wilson, C. C.; Rielly, C. D.; Nagy, Z. K.

Crystal Growth & Design, 2015, 15(10), 4821–4836

297

Future supply chains enabled by continuous processing — opportunities and challenges

Srai, J. S.; Badman, C.; Krumme, M.; Futran, M.; Johnston, C.

Journal of Pharmaceutical Sciences, 2015, 104(3), 840–849

298

Evaluating the potential for the continuous processing of pharmaceutical products — a supply network perspective

Srai, J. S.; Harrington, T.; Alinaghian, L.; Phillips, M.

Chemical Engineering and Processing, 2015, 97, 248–258

299

Mathematical modeling, design, and optimization of a multisegment multiaddition plug-flow crystallizer for antisolvent crystallizations

Su, Q. L.; Benyahia, B.; Nagy, Z. K.; Rielly, C. D.

Organic Process Research & Development, 2015, 19(12), 1859–1870

300

Image-based monitoring for early detection of fouling in crystallisation processes

Tachtatzis, C.; Sheridan, R.; Michie, C.; Atkinson, R. C.; Cleary, A.; Dziewierz, J.; et al.

Chemical Engineering Science, 2015, 133, 82–90

301

Nonphotochemical laser-induced crystal nucleation by an evanescent wave

Ward, M. R.; Rae, A.; Alexander, A. J.

Crystal Growth & Design, 2015, 15(9), 4600–4605

302

Structure and stability of two polymorphs of creatine and its monohydrate

Arlin, J. B.; Bhardwaj, R. M.; Johnston, A.; Miller, G. J.; Bardin, J.; MacDougall, F.; et al.

CrystEngComm, 2014, 16(35), 8197–8204

303

Evaluation of crystallization kinetics of adipic acid in an oscillatory baffled crystallizer

Brown, C. J.; Lee, Y. C.; Nagy, Z. K.; Ni, X.

CrystEngComm, 2014, 16(34), 8008–8014

304

An investigation into the effect of mixing on the secondary nucleation of sodium chlorate in a stirred tank and an oscillatory baffled crystallizer

Callahan, C. J.; Ni, X. W.

CrystEngComm, 2014, 16(4), 690–697

305

Drug solid solutions — a method for tuning phase transformations

Delori, A.; Maclure, P.; Bhardwaj, R. M.; Johnston, A.; Florence, A. J.; Sutcliffe, O. B.; Oswald, I. D. H.

CrystEngComm, 2014, 16(26), 5827–5831

306

Formulation of liquid propofol as a cocrystalline solid

McKellar, S. C.; Kennedy, A. R.; McCloy, N. C.; McBride, E.; Florence, A. J.

Crystal Growth & Design, 2014, 14(5), 2422–2430

307

An approach to exploring integration benefits of continuous flow technologies within pharmaceutical supply chains

Srai, J. S.; Harrington, T. S.; Alinaghian, L.

Chemistry Today, 2014, 32 (Supplement), 27–34

308

From discovery to scale-up: α-lipoic acid: nicotinamide co-crystals in a continuous oscillatory baffled crystalliser

Zhao, L.; Raval, V.; Briggs, N. E. B.; Bhardwaj, R. M.; McGlone, T.; Oswald, I. D. H.; Florence, A. J.

CrystEngComm, 2014, 16(26), 5769–5780

309

Exploring the experimental and computed crystal energy landscape of olanzapine

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.

Crystal Growth & Design, 2013, 13(4), 1602–1617

310

Investigation of factors affecting isolation of needle-shaped particles in a vacuum-agitated filter drier through non-invasive measurements by Raman spectrometry

Hamilton, P.; Littlejohn, D.; Nordon, A.; Sefcik, J.; Slavin, P.; Andrews, J.; Dallin, P.

Chemical Engineering Science, 2013, 101, 878–885

311

Population and size distribution of solute-rich mesospecies within mesostructured aqueous amino acid solutions

Jawor-Baczynska, A.; Moore, B. D.; Lee, H. S.; McCormick, A. V.; Sefcik, J.

Faraday Discussions, 2013, 167, 425–440

312

250 nm glycine-rich nanodroplets are formed on dissolution of glycine crystals but are too small to provide productive nucleation sites

Jawor-Baczynska, A.; Sefcik, J.; Moore, B. D.

Crystal Growth & Design, 2013, 13(2), 470–478

313

Evaluation of axial dispersion and mixing performance in oscillatory baffled reactors using CFD

Manninen, M.; Gorshkova, E.; Immonen, K.; Ni, X. W.

Journal of Chemical Technology & Biotechnology, 2013, 88(4), 553–562

314

Second-harmonic scattering in aqueous urea solutions: evidence for solute clusters?

Ward, M. R.; Botchway, S. W.; Ward, A. D.; Alexander, A. J.

Faraday Discussions, 2013, 167, 441–454

315

Complex polymorphic system of gallic acid — five monohydrates, three anhydrates, and over 20 solvates

Braun, D. E.; Bhardwaj, R. M.; Florence, A. J.; Tocher, D. A.; Price, S. L.

Crystal Growth & Design, 2013, 13(1), 19–23

316

Determination of metastable zone width, mean particle size and detectable number density using video imaging in an oscillatory baffled crystallizer

Brown, C. J.; Ni, X. W.

CrystEngComm, 2012, 14(8), 2944–2949

317

Probing into nucleation mechanisms of cooling crystallization of sodium chlorate in a stirred tank crystallizer and an oscillatory baffled crystallizer

Callahan, C. J.; Ni, X. W.

Crystal Growth & Design, 2012, 12(5), 2525–2532

318

Validity of particle size analysis techniques for measurement of the attrition that occurs during vacuum agitated powder drying of needle-shaped particles

Hamilton, P.; Littlejohn, D.; Nordon, A.; Sefcik, J.; Slavin, P.

Analyst, 2012, 137(1), 118–125

319

Defining product-service network configurations and location roles: a current and future state analysis framework for international engineering operations

Harrington, T. S.; Srai, J. S.

International Journal of Product Development, 2012, 17(3/4), 228–253

320

Comparative investigation of supersaturation and automated direct nucleation control of crystal size distributions using ATR-UV/vis spectroscopy and FBRM

Saleemi, A. N.; Rielly, C. D.; Nagy, Z. K.

Crystal Growth & Design, 2012, 12(4), 1792–1807

321

Monitoring of the combined cooling and antisolvent crystallization of mixtures of aminobenzoic acid isomers using ATR-UV/vis spectroscopy and FBRM

Saleemi, A. N.; Rielly, C. D.; Nagy, Z. K.

Chemical Engineering Science, 2012, 77, 122–129

322

Systematic data set for structure-property investigations: solubility and solid-state structure of alkaline earth metal salts of benzoates

Arlin, J. B.; Florence, A. J.; Johnston, A.; Kennedy, A. R.; Miller, G. J.; Patterson, K.

Crystal Growth & Design, 2011, 11(4), 1318–1327

323

A strategy for producing predicted polymorphs: catemeric carbamazepine Form V

Arlin, J. B.; Price, L. S.; Price, S. L.; Florence, A. J.

Chemical Communications, 2011, 47(25), 7074–7076

324

Online evaluation of paracetamol antisolvent crystallization growth rate with video imaging in an oscillatory baffled crystallizer

Brown, C. J.; Ni, X. W.

Crystal Growth & Design, 2011, 11(3), 719–725

325

Evaluation of growth kinetics of antisolvent crystallization of paracetamol in an oscillatory baffled crystallizer utilizing video imaging

Brown, C. J.; Ni, X. W.

Crystal Growth & Design, 2011, 11(9), 3994–4000

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