Publication 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 Cambridge: Cambridge Open Engage This content is a preprint and has not been peer-reviewed. 2020.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  

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., Dynamic Crystallization Pathways of Polymorphic Pharmaceuticals Revealed in Segmented Flow with Inline Powder X-ray Diffraction. Analytical Chemistry 2020, 92 (11), 7754-7761. https://doi.org/10.1021/acs.analchem.0c00860

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