Publication 2019

Ahmed, B.;  Brown, C. J.;  McGlone, T.;  Bowering, D. L.;  Sefcik, J.; Florence, A. J., Engineering of acetaminophen particle attributes using a wet milling crystallisation platform. 2019, 554, 201-211. https://doi.org/10.1016/j.ijpharm.2018.10.073

Arjmandi-Tash, O.;  Tew, J. D.;  Pitt, K.;  Smith, R.; Litster, J. D., A new mathematical model for nucleation of spherical agglomerates by the immersion mechanism. Chemical Engineering Science: X 2019, 4, 100048 https://doi.org/10.1016/j.cesx.2019.100048

Bordos, E.; Islam, M. T.; Florence, A. J.; Halbert, G. W.; Robertson. Use of Terahertz-Raman Spectroscopy to Determine Solubility of the Crystalline Active Pharmaceutical Ingredient in Polymeric Matrices during Hot Melt Extrusion J. Molecular Pharmaceutics 2019, 16, 4361.  https://doi.org/10.1021/acs.molpharmaceut.9b00703

Briuglia, M. L.;  Sefcik, J.; ter Horst, J. H., Measuring Secondary Nucleation through Single Crystal Seeding. Crystal Growth & Design 2019, 19 (1), 421-429. https://doi.org/10.1021/acs.cgd.8b01515

Chang, S. Y.;  Kathyola, T. A.;  Willneff, E. A.;  Willis, C. J.;  Wilson, P.;  Dowding, P. J.;  Cibin, G.;  Kroner, A. B.;  Shotton, E. J.; Schroeder, S. L. M., A versatile liquid-jet/sessile droplet system for operando studies of reactions in liquid dispersions and solutions by X-ray absorption spectroscopy. Reaction Chemistry & Engineering 2019, 4 (4), 679-687. https://doi.org/10.1039/C8RE00207J

Connor, L. E.; Vassileiou, A. D.; Halbert, G. W.; Johnston, B. F.; Oswald, I. D. H., Structural investigation and compression of a co-crystal of indomethacin and saccharin. CrystEngComm 2019 . https://doi.org/10.1039/C9CE00838A   

Dunn, A. S.; Svoboda, V.; Sefcik, J.; ter Horst. Resolution control in a continuous preferential crystallization process. Organic Process Research & Development, 2019 23 (9), 2031-2041. https://doi.org/10.1021/acs.oprd.9b00275

Edinger, M.; Iftimi, L.-D.; Markl, D.; Al-Sharabi, M.; Bar-Shalom, D.; Rantanen, J.; Genina, N., Quantification of Inkjet-Printed Pharmaceuticals on Porous Substrates Using Raman Spectroscopy and Near-Infrared Spectroscopy. AAPS PharmSciTech 2019, 20, 207. https://doi.org/10.1208/s12249-019-1423-y

Febra, S. A.;  Aasen, A.;  Adjiman, C. S.;  Jackson, G.; Galindo, A., Intramolecular bonding in a statistical associating fluid theory of ring aggregates. Molecular Physics 2019, 1-29.  https://doi.org/10.1080/00268976.2019.1671619 

Fysikopoulos, D.;  Benyahia, B.;  Borsos, A.;  Nagy, Z. K.; Rielly, C. D., A framework for model reliability and estimability analysis of crystallization processes with multi-impurity multi-dimensional population balance models. Computers & Chemical Engineering 2019, 122, 275-292. https://doi.org/10.1016/j.compchemeng.2018.09.007

Jiang, M.; Ni, X.-W., Reactive Crystallization of Paracetamol in a Continuous Oscillatory Baffled Reactor. Organic Process Research & Development 2019, 23, 882-890. https://doi.org/10.1016/j.ijpharm.2018.12.052

Jiang, M.; Ni, X.-W., Effects of solvents and impurity on crystallization kinetics and crystal properties in a reactive crystallization of paracetamol. Journal of Crystal Growth 2019, 523, 125150. https://doi.org/10.1016/j.jcrysgro.2019.125150

Jimeno, G.; Lee, Y. C.; Ni, X.-W., Smoothed particle hydrodynamics – A new approach for modeling flow in oscillatory baffled reactors. Computers & Chemical Engineering 2019, 124, 14-27. https://doi.org/10.1016/j.cep.2018.11.002

Jolliffe, H. G.;  Papathanasiou, F.;  Prasad, E.;  Halbert, G.;  Robertson, J.;  Brown, C. J.; Florence, A. J., Improving the prediction of multi-component tablet properties from pure component parameters. In Computer Aided Chemical Engineering, Kiss, A. A.;  Zondervan, E.;  Lakerveld, R.; Özkan, L., Eds. Elsevier: 2019; Vol. 46, pp 883-888. https://doi.org/10.1016/B978-0-12-818634-3.50148-X

Konar, S.;  Michalchuk, A. A. L.;  Sen, N.;  Bull, C. L.;  Morrison, C. A.; Pulham, C. R., High-Pressure Study of Two Polymorphs of 2,4,6-Trinitrotoluene Using Neutron Powder Diffraction and Density Functional Theory Methods. The Journal of Physical Chemistry C 2019, 123 (43), 26095-26105. https://doi.org/10.1021/acs.jpcc.9b07658    

Marathe, S.;  Storm, M.;  Kuppilli, V. S. C.;  Harrison, R.;  Das, G.;  Schroeder, S. L. M.;  Cipiccia, S.;  Döring, F.;  David, C.; Rau, C., Development of synchrotron pink beam x-ray grating interferometer at the Diamond Light source I13-2 beamline. SPIE: 2019; Vol. 11113. https://doi.org/10.1117/12.2530698  

Mendez Torrecillas, C.; Gorringe, L. J.; Rajoub, N.; Robertson, J.; Elkes, R. G.; Lamprou, D. A.; Halbert, G. W., The impact of channel fill level on internal forces during continuous twin screw wet granulation. International journal of pharmaceutics 2019, 558, 91-100. https://doi.org/10.1016/j.ijpharm.2018.12.052

Michalchuk, A. A. L.;  Trestman, M.;  Rudić, S.;  Portius, P.;  Fincham, P. T.;  Pulham, C. R.; Morrison, C. A., Predicting the reactivity of energetic materials: an ab initio multi-phonon approach. Journal of Materials Chemistry A 2019, 7 (33), 19539-19553.  https://doi.org/10.1039/C9TA06209B

Onyemelukwe, I., Nagy, Z.K., Rielly, C.D. 2019. Solid-liquid axiald dispersion performance of a mesoscale continuous oscillatory flow crystalliser with smooth periodic constrictions using a non-invasive dual backlit imaging technique, Chem. Eng. J.  2019 https://doi.org/10.1016/j.cej.2019.122862

Onyemelukwe, I. I.; Parsons, A. R.; Wheatcroft, H. P.; Robertson, A.; Nagy, Z. K.; Rielly, C. D., The Role of Residence Time Distribution in the Continuous Steady-State Mixed Suspension Mixed Product Removal Crystallization of Glycine. Crystal Growth & Design 2019, 19, 66-80. https://pubs.acs.org/doi/10.1021/acs.cgd.8b00853

Prasad, E.; Islam, M. T.; Goodwin, D. J.; Megarry, A. J.; Halbert, G. W.; Florence, A. J.; Robertson, J., Development of a hot-melt extrusion (HME) process to produce drug loaded Affinisol™ 15LV filaments for fused filament fabrication (FFF) 3D printing. Additive Manufacturing 2019, 29, 100776. https://doi.org/10.1016/j.addma.2019.06.027

Rau, C.;  Storm, M.;  Marathe, S.;  Bodey, A.;  Zdora, M.;  Cipiccia, S.;  Batey, D.;  Shi, X.;  Schroeder, S. M. L.;  Das, G.;  Loveridge, M.;  Ziesche, R.; Connolly, B., Fast Multi-scale imaging using the Beamline I13L at the Diamond Light Source. SPIE: 2019; Vol. 11113. https://doi.org/10.1117/12.2543405 

Srai, J.S., The role of collaborative e-sourcing in supply chain digitalization scenarios: A gamification-enabled structural model. 2019. 

Srai, J. S. Badman, C., Collaboration as the Best Medicine. Chimica Oggi-Chemistry Today 2019, 37 (1), 56-59. https://www.teknoscienze.com/tks_article/collaboration-as-the-best-medicine/

Srai, J. S. S., E.; Tsolakis, N.; Aulakh, P. K. , Supply Chain Digital Twins: Opportunities and Challenges Beyond the Hype 23rd Cambridge International Manufacturing Symposium University of Cambridge, 26 – 27 September 2019.  https://www.repository.cam.ac.uk/bitstream/handle/1810/298842/Supply%20chain%20digital%20twins.pdf?sequence=1&isAllowed=y  

Stranzinger, S.; Faulhammer, E.; Li, J.; Dong, R.; Khinast, J. G.; Zeitler, J. A.; Markl, D., Measuring bulk density variations in a moving powder bed via terahertz in-line sensing. Powder Technology 2019, 344, 152-160. https://doi.org/10.1016/j.powtec.2018.11.106   

Tahir, F.;  Islam, M. T.;  Mack, J.;  Robertson, J.; Lovett, D., Process monitoring and fault detection on a hot-melt extrusion process using in-line Raman spectroscopy and a hybrid soft sensor. Computers & Chemical Engineering 2019, 125, 400-414. https://doi.org/10.1016/j.compchemeng.2019.03.019

Turner, T. D.;  Hatcher, L. E.;  Wilson, C. C.; Roberts, K. J., Habit Modification of the Active Pharmaceutical Ingredient Lovastatin Through a Predictive Solvent Selection Approach. J Pharm Sci 2019, 108 (5), 1779-1787. https://doi.org/10.1016/j.xphs.2018.12.012

Vesga, M. J.; McKechnie, D.; Mulheran, P. A.; Johnston, K.; Sefcik, J., Conundrum of γ glycine nucleation revisited: to stir or not to stir? CrystEngComm 2019, 21, 2234-2243. https://doi.org/10.1039/C8CE01829D

Ward, M. R.; Oswald, I. D. H., Antisolvent addition at extreme conditions. CrystEngComm 2019. https://doi.org/10.1039/C9CE00365G  

Watson, O. L.;  Galindo, A.;  Jackson, G.; Adjiman, C. S., Computer-aided Design of Solvent Blends for the Cooling and Anti-solvent Crystallisation of Ibuprofen. In Computer Aided Chemical Engineering, Kiss, A. A.;  Zondervan, E.;  Lakerveld, R.; Özkan, L., Eds. Elsevier: 2019; Vol. 46, pp 949-954 https://doi.org/10.1016/B978-0-12-818634-3.50159-4

Wongpinyochit, T.;  Vassileiou, A. D.;  Gupta, S.;  Mushrif, S. H.;  Johnston, B. F.; Seib, F. P., Unraveling the Impact of High-Order Silk Structures on Molecular Drug Binding and Release Behaviors. The Journal of Physical Chemistry Letters 2019, 10 (15), 4278-4284. https://doi.org/10.1021/acs.jpclett.9b01591

Xiouras, C.;  Belletti, G.;  Venkatramanan, R.;  Nordon, A.;  Meekes, H.;  Vlieg, E.;  Stefanidis, G. D.; Ter Horst, J. H., Toward Continuous Deracemization via Racemic Crystal Transformation Monitored by in Situ Raman Spectroscopy. Crystal Growth & Design 2019, 19 (10), 5858-5868. https://doi.org/10.1021/acs.cgd.9b00867

Zimbitas, G.; Jawor-Baczynska, A.; Vesga, M. J.; Javid, N.; Moore, B. D.; Parkinson, J.; Sefcik, J. Investigation of molecular and mesoscale clusters in undersaturated glycine aqueous solutions. Colloids and Surfaces A, 2019 579, 123633. https://doi.org/10.1016/j.colsurfa.2019.123633