Supply Chain

• Supply chain workflow aligned with Quality by Digital Design (QbDD) workflow

• Papers on investment in digital infrastructure and manufacturing capabilities to enable supply resilience: https://doi.org/10.1111/poms.13865 , https://doi.org/10.1080/01605682.2022.2039565

Quality by Digital Design (QbDD)

• BPMN 2.0 mapping version 1.0 of QbDD Workflow complete

• Automation of some steps in workflow underway

• QbDD strategy paper in preparation

• Case studies of how to use workflow to do digital design of API processes in progess

Digital Twins

• Lovastatin primary and secondary process MicroFactory models and visualisation

• Android App of mefenamic acid MicroFactory Digital Twin

• Presentations and paper on gPROMs models for continuous filtration and washing, solvent screening and continuous crystallisation and wet milling: https://doi.org/10.1021/acs.oprd.2c00165

• Solubility prediction tools developed further. Includes: A unified AI framework for solubility prediction across organic solvents, https://doi.org/10.1039/d2dd00024e 

• Easymax training on VR and tablet developed

• Hot Melt Extruder VR and 2D graphics

DataFactory Platform

• System integration of autonomous crystallisation DataFactory underway

• Communication: Autonomous DataFactory: High throughput screening for large -scale data collection to inform medicine manufacture doi: https://doi.org/10.5920/bjpharm.1128

MicroFactories

• Modular API MicroFactory assembled and upgrades implemented

• Case studies of using QbDD to digitally design processes to make 3 APIs underway. Includes a Tier1 donated API.

• Digital design of mefenamic acid API process published: https://doi.org/10.1016/j.cherd.2023.07.003

• Tuning shape and size of mefenamic acid crystals using wet-milling and sonication aided Direct Nucleation Control: https://doi.org/10.3390/IOCC_2022-12165

• Paper on filtration and washing published: https://doi.org/10.1021/acs.oprd.1c00272

• Novel combined Hot Melt Extruder and 3DPrinter secondary processing unit developed and patent applied for

• Impact of formulation composition on processing parameters, product properties and performance in secondary processing MicroFactory: https://doi.org/10.1016/j.ijpharm.2022.121505

Advanced Characterisation

• CrystalGrowthTracker: A Python package to analyse crystal face advancement rates from time lapse synchrotron radiography https://doi.org/10.21105/joss.04333

• Determination of H-atom Positions in Organic Crystal Structures by NEXAFS Combined with Density Functional Theory: A Study of Two-Component Systems Containing Isonicotinamide https://doi.org/10.1021/acs.jpca.2c00439

Drug Product Performance Model Development

• Development of swelling-driven OSD dispersion model

• Experimental validation method developed for swelling of individual granules/tablets

• Papers on mechanistic study of single granule disintegration behavior and a new mathematical model for swelling driven granule disintegration mechanisms planned