Deliverables Documents, reports (12) property model library and database Validated thermodynamic models library and database for charged molecules. Healthcare products formulated Predictive bioavailability model for production of structured emulsified products for healthcare applications. Control bioprocess Application of the framework for a ‘closed-loop’ bioprocess control application. Oleochemicals process designed Techno-economic and sustainability assessment of optimal process (flowsheet) design for oleochemicals derived products including design of control strategies for recovery of value added products. Sustainable process design Improved LCA tool and its implementation as a software prototype for sustainability analysis and process design using comprehensive uncertainty analysis for selected applications Integrated MD & phase equilibrium models An integrated molecular dynamics and phase equilibrium modeling for complex formulated products. In situ measurement A report on different analytical techniques for in situ measurement of the processes in WP5. Multi-scale models Upstream and downstream multi-scale models of culture cells. multicentre PhD training Framework & curricula for multicentre PhD training programme in engineering for life sciences and biotechnology industries. PG certificate Postgraduate Certificates in Researcher Professional Development (PG Cert RDP) will be awarded by USTRATH to at least 8 ESRs recruited by ModLife network. Methodology Methodology for data reduction Data fusion Methodologies for spectroscopic and process data fusion and software implementation of data fusion algorithms. Publications Peer reviewed articles (24) Dynamic plantwide modeling, uncertainty and sensitivity analysis of a pharmaceutical upstream synthesis: Ibuprofen case study Author(s): Frederico Montes, Krist V. Gernaey, Gurkan Sin Published in: Industrial & Engineering Chemistry Research, 2018, ISSN 0888-5885 Publisher: American Chemical Society DOI: 10.1021/acs.iecr.8b00465 Near-infrared hyperspectral imaging for non-destructive classification of commercial tea products Author(s): Puneet Mishra, Alison Nordon, Julius Tschannerl, Guoping Lian, Sally Redfern, Stephen Marshall Published in: Journal of Food Engineering, 2018, ISSN 0260-8774 Publisher: Elsevier BV DOI: 10.1016/j.jfoodeng.2018.06.015 The Increasingly Human and Profitable Monoclonal Antibody Market Author(s): António L. Grilo, A. Mantalaris Published in: Trends in Biotechnology, 2018, ISSN 0167-7799 Publisher: Elsevier BV DOI: 10.1016/j.tibtech.2018.05.014 Fusing spectral and textural information in near-infrared hyperspectral imaging to improve green tea classification modelling Author(s): Puneet Mishra, Alison Nordon, Mohd Shahrimie Mohd Asaari, Guoping Lian, Sally Redfern Published in: Journal of Food Engineering, Issue 249, 2019, Page(s) 40-47, ISSN 0260-8774 Publisher: Elsevier BV DOI: 10.1016/J.JFOODENG.2019.01.009 GPdoemd: A Python package for design of experiments for model discrimination Author(s): Simon Olofsson, Lukas Hebing, Sebastian Niedenführ, Marc Peter Deisenroth, Ruth Misener Published in: Computers & Chemical Engineering, Issue 125, 2019, Page(s) 54-70, ISSN 0098-1354 Publisher: Pergamon Press Ltd. DOI: 10.1016/j.compchemeng.2019.03.010 Model-Based Dynamic Optimization of Monoclonal Antibodies Production in Semibatch Operation—Use of Reformulation Techniques Author(s): Chrysoula D. Kappatou, Adel Mhamdi, Ana Quiroga Campano, Athanasios Mantalaris, Alexander Mitsos Published in: Industrial & Engineering Chemistry Research, Issue 57/30, 2018, Page(s) 9915-9924, ISSN 0888-5885 Publisher: American Chemical Society DOI: 10.1021/acs.iecr.7b05357 Maximizing neotissue growth kinetics in a perfusion bioreactor: An in silico strategy using model reduction and Bayesian optimization Author(s): Mohammad Mehrian, Yann Guyot, Ioannis Papantoniou, Simon Olofsson, Maarten Sonnaert, Ruth Misener, Liesbet Geris Published in: Biotechnology and Bioengineering, Issue 115/3, 2018, Page(s) 617-629, ISSN 0006-3592 Publisher: Wiley - V C H Verlag GmbbH & Co. DOI: 10.1002/bit.26500 Modeling of double emulsions using population balance equations Author(s): Behnam Khadem, Nida Sheibat-Othman Published in: Chemical Engineering Journal, Issue 366, 2019, Page(s) 587-597, ISSN 1385-8947 Publisher: Elsevier BV DOI: 10.1016/j.cej.2019.02.092 The Monte Carlo driven and machine learning enhanced process simulator Author(s): Mark Nicholas Jones, Jérôme Frutiger, Nevin Gerek Ince, Gürkan Sin Published in: Computers & Chemical Engineering, Issue 125, 2019, Page(s) 324-338, ISSN 0098-1354 Publisher: Pergamon Press Ltd. DOI: 10.1016/j.compchemeng.2019.03.016 Meta-modeling based efficient global sensitivity analysis for wastewater treatment plants – An application to the BSM2 model Author(s): Resul Al, Chitta Ranjan Behera, Alexandr Zubov, Krist V. Gernaey, Gürkan Sin Published in: Computers & Chemical Engineering, Issue 127, 2019, Page(s) 233-246, ISSN 0098-1354 Publisher: Pergamon Press Ltd. DOI: 10.1016/j.compchemeng.2019.05.015 Apoptosis: A mammalian cell bioprocessing perspective Author(s): Antonio L. Grilo, Athanasios Mantalaris Published in: Biotechnology Advances, Issue 37/3, 2019, Page(s) 459-475, ISSN 0734-9750 Publisher: Elsevier BV DOI: 10.1016/j.biotechadv.2019.02.012 Automatic de-noising of close-range hyperspectral images with a wavelength-specific shearlet-based image noise reduction method Author(s): Puneet Mishra, Azam Karami, Alison Nordon, Douglas N. Rutledge, Jean-Michel Roger Published in: Sensors and Actuators B: Chemical, Issue 281, 2019, Page(s) 1034-1044, ISSN 0925-4005 Publisher: Elsevier BV DOI: 10.1016/j.snb.2018.11.034 An evaluation of in-silico methods for predicting solute partition in multiphase complex fluids – A case study of octanol/water partition coefficient Author(s): Mattia Turchi, Qiong Cai, Guoping Lian Published in: Chemical Engineering Science, Issue 197, 2019, Page(s) 150-158, ISSN 0009-2509 Publisher: Pergamon Press Ltd. DOI: 10.1016/j.ces.2018.12.003 In Silico Prediction of the Thermodynamic Equilibrium of Solute Partition in Multiphase Complex Fluids: A Case Study of Oil–Water Microemulsion Author(s): Mattia Turchi, Qiong Cai, Guoping Lian Published in: Langmuir, Issue 35/33, 2019, Page(s) 10855-10865, ISSN 0743-7463 Publisher: American Chemical Society DOI: 10.1021/acs.langmuir.9b01513 Theoretical and Experimental Investigations of Double Emulsion Preparation by Ultrasonication Author(s): Behnam Khadem, Nida Sheibat-Othman Published in: Industrial & Engineering Chemistry Research, Issue 58/19, 2019, Page(s) 8220-8230, ISSN 0888-5885 Publisher: American Chemical Society DOI: 10.1021/acs.iecr.9b00556 A Predictive Mathematical Model of Cell Cycle, Metabolism, and Apoptosis of Monoclonal Antibody‐Producing GS–NS0 Cells Author(s): António L. Grilo, Athanasios Mantalaris Published in: Biotechnology Journal, 2019, Page(s) 1800573, ISSN 1860-6768 Publisher: Wiley - VCH Verlag GmbH & CO. KGaA DOI: 10.1002/biot.201800573 Investigating swelling-breakdown in double emulsions Author(s): Behnam Khadem, Maya Khellaf, Nida Sheibat-Othman Published in: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Issue 585, 2020, Page(s) 124181, ISSN 0927-7757 Publisher: Elsevier BV DOI: 10.1016/j.colsurfa.2019.124181 Comprehensive development, uncertainty and sensitivity analysis of a model for the hydrolysis of rapeseed oil Author(s): Hector Forero-Hernandez, Mark Nicholas Jones, Bent Sarup, Anker Degn Jensen, Jens Abildskov, Gürkan Sin Published in: Computers & Chemical Engineering, Issue 133, 2020, Page(s) 106631, ISSN 0098-1354 Publisher: Pergamon Press Ltd. DOI: 10.1016/j.compchemeng.2019.106631 Modeling droplets swelling and escape in double emulsions using population balance equations Author(s): Behnam Khadem, Nida Sheibat-Othman Published in: Chemical Engineering Journal, Issue 382, 2020, Page(s) 122824, ISSN 1385-8947 Publisher: Elsevier BV DOI: 10.1016/j.cej.2019.122824 Guaranteed satisfaction of inequality state constraints in PDE-constrained optimization Author(s): Eduardo S. Schultz, Ralf Hannemann-Tamás, Alexander Mitsos Published in: Automatica, Issue 111, 2020, Page(s) 108653, ISSN 0005-1098 Publisher: Pergamon Press Ltd. DOI: 10.1016/j.automatica.2019.108653 Bayesian Multiobjective Optimisation With Mixed Analytical and Black-Box Functions: Application to Tissue Engineering Author(s): Simon Olofsson, Mohammad Mehrian, Roberto Calandra, Liesbet Geris, Marc Peter Deisenroth, Ruth Misener Published in: IEEE Transactions on Biomedical Engineering, Issue 66/3, 2019, Page(s) 727-739, ISSN 0018-9294 Publisher: Institute of Electrical and Electronics Engineers DOI: 10.1109/tbme.2018.2855404 Splitting Triglycerides with a Counter-Current Liquid–Liquid Spray Column: Modeling, Global Sensitivity Analysis, Parameter Estimation and Optimization Author(s): Mark Jones, Hector Forero-Hernandez, Alexandr Zubov, Bent Sarup, Gürkan Sin Published in: Processes, Issue 7/12, 2019, Page(s) 881, ISSN 2227-9717 Publisher: MDPI Processes DOI: 10.3390/pr7120881 Reliable Correlation for Liquid–Liquid Equilibria outside the Critical Region Author(s): Łukasz Ruszczyński, Alexandr Zubov, John P. O’Connell, Jens Abildskov Published in: Journal of Chemical & Engineering Data, Issue 62/9, 2017, Page(s) 2842-2854, ISSN 0021-9568 Publisher: American Chemical Society DOI: 10.1021/acs.jced.7b00164 Reply to “Comment on ‘Reliable Correlation for Liquid–Liquid Equilibria outside the Critical Region’” Author(s): Łukasz Ruszczyński, Alexandr Zubov, John P. O’Connell, Jens Abildskov Published in: Journal of Chemical & Engineering Data, Issue 62/11, 2017, ISSN 0021-9568 Publisher: American Chemical Society DOI: 10.1021/acs.jced.7b00724 Conference proceedings (14) Design of Experiments for Model Discrimination Hybridising Analytical and Data-Driven Approaches Author(s): Olofsson, Simon; Deisenroth, Marc Peter; Misener, Ruth Published in: Proceedings of the 35th International Conference on Machine Learning, ICML, 2018, ISSN 1938-7228 Publisher: PMLR From property uncertainties to process simulation uncertainties – Monte Carlo methods in SimSci PRO/II process simulator Author(s): Jérôme Frutiger, Mark Jones, Nevin Gerek Ince, Gürkan Sin Published in: 13th International Symposium on Process Systems Engineering (PSE 2018), Issue 44, 2018, Page(s) 1489-1494, ISBN 9780-444642417 Publisher: Elsevier DOI: 10.1016/b978-0-444-64241-7.50243-3 Homogenising and segmenting hyperspectral images of plants and testing chemicals in a high-throughput phenotyping setup Author(s): Mishra P., Schmuck M., Roth S., Nicol A., Nordon A. Published in: 2019 10th Workshop on Hyperspectral Imaging and Signal Processing, 2019 Publisher: Whispers 2019- IEEE workshop on hyperspectral images and signal processing: an evolution in remote sensing Early detection of drought stress in Arabidopsis Thaliana utilising a portable hyperspectral imaging setup Author(s): Mishra P., Feller T., Schmuck M., Nicol A., Nordon A. Published in: 2019 10th Workshop on Hyperspectral Imaging and Signal Processing, 2019 Publisher: Whispers 2019- IEEE workshop on hyperspectral images and signal processing: an evolution in remote sensing How to Use Mechanistic Metabolic Modeling to Ensure High Quality Glycoprotein Production Author(s): Alireza Ehsani, Sebastian Niedenfuehr, Thomas Eissing, Swantje Behnken, Andreas Schuppert Published in: 27th European Symposium on Computer Aided Process Engineering, Issue 40, 2017, Page(s) 2839-2844, ISBN 9780-444639653 Publisher: Elsevier DOI: 10.1016/b978-0-444-63965-3.50475-x Data Validation and Modelling of Thermodynamic Properties of Systems with Active Pharmaceutical Ingredients (APIs) in Complex Media for Skin Absorption Processes Author(s): Ruszczynski L., Zubov A., Sin G., Abildskov J. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 247-252, ISBN 978-0-444-64080-2 Publisher: Elsevier DOI: 10.1016/B978-0-444-63965-3.50043-X Methodology for Plantwide Design and Optimization of Wastewater Treatment Plants Author(s): Dragan J.M., Zubov A., Sin G. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 859-864, ISBN 978-0-444-64080-2 Publisher: Elsevier Bayesian Multi-Objective Optimisation of Neotissue Growth in a Perfusion Bioreactor Set-Up Author(s): Olofsson S., Mehrian M., Geris L., Calandra R., Deisenroth M.P., Misener R. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 2155-2160, ISBN 978-0-444-64079-6 Publisher: Elsevier Dynamic Optimization of the Production of Monoclonal Antibodies in Semi-batch Operation Author(s): Kappatou C.D., Mhamdi A., Campano A.Q., Mantalaris A., Mitsos A. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 2161-2166, ISBN 978-0-444-64079-6 Publisher: Elsevier Modeling Stability of Double Emulsions Author(s): Khadem B., Sheibat-Othman N. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 493-498, ISBN 978-0-444-64080-2 Publisher: Elsevier DOI: 10.1016/B978-0-444-63965-3.50084-2 Multi-scale Modelling of Solute Partition Equilibria of Micelle-Water and Microemulsion-Water Systems Using Molecular Dynamics and COSMOtherm Author(s): Turchi M., Lian G., Cai Q., Wood I., Rabone J., Noro M. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 2773-2778, ISBN 978-0-444-64079-6 Publisher: Elsevier DOI: 10.1016/B978-0-444-63965-3.50464-5 A Simplified Kinetic and Mass Transfer Modelling of the Thermal Hydrolysis of Vegetable Oils Author(s): Forero-Hernandez H., Jones M., Sarup B., Abildskov J., Jensen A.D., Sin G. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 1177-1182, ISBN 978-0-444-64080-2 Publisher: Elsevier DOI: 10.1016/B978-0-444-63965-3.50198-7 Multi-scale Modeling Approach for Design and Optimization of Oleochemical Processes Author(s): Mark Jones, Hector Forero-Hernandez, Bent Sarup, Gürkan Sin Published in: 27th European Symposium on Computer Aided Process Engineering, Issue 40, 2017, Page(s) 1885-1890, ISBN 9780-444639653 Publisher: Elsevier DOI: 10.1016/b978-0-444-63965-3.50316-0 Uncertainty and Sensitivity Analysis for an Ibuprofen Synthesis Model Based on Hoechst Path Author(s): Montes F., Gernaey K.V., Sin G. Published in: 27th European Symposium on Computer Aided Process Engineering, 2017, Page(s) 163-168, ISBN 978-0-444-64080-2 Publisher: Elsevier DOI: 10.1016/B978-0-444-63965-3.50029-5 Book chapters (11) Process Synthesis, Design, and Control of Wastewater Treatment Plants Author(s): Xueming Chen, Resul Al, Chitta Ranjan Behera, Gürkan Sin Published in: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2018, ISBN 9780-124095472 Publisher: Elsevier DOI: 10.1016/b978-0-12-409547-2.14345-8 Prediction of Environmental Properties Using a Hybrid Group Contribution Approach Author(s): Resul Al, Jérôme Frutiger, Alexandr Zubov, Gürkan Sin Published in: 13th International Symposium on Process Systems Engineering (PSE 2018), Issue 44, 2018, Page(s) 1723-1728, ISBN 9780-444642417 Publisher: Elsevier DOI: 10.1016/b978-0-444-64241-7.50282-2 Design of Experiments for Model Discrimination using Gaussian Process Surrogate Models Author(s): Simon Olofsson, Marc Peter Deisenroth, Ruth Misener Published in: 13th International Symposium on Process Systems Engineering (PSE 2018), Issue 44, 2018, Page(s) 847-852, ISBN 9780-444642417 Publisher: Elsevier DOI: 10.1016/b978-0-444-64241-7.50136-1 A Modular Modelling Environment for Computer-Aided Process Design Author(s): Mark Nicholas Jones, Simon Anthony Jones, Gürkan Sin Published in: Proceedings of the 9th International Conference on Foundations of Computer-Aided Process Design, Issue 47, 2019, Page(s) 23-28, ISBN 9780-128185971 Publisher: Elsevier DOI: 10.1016/b978-0-12-818597-1.50004-7 Superstructure Optimization of Oleochemical Processes with Surrogate Models Author(s): Mark Jones, Hector Forero-Hernandez, Alexandr Zubov, Bent Sarup, Gürkan Sin Published in: 13th International Symposium on Process Systems Engineering (PSE 2018), Issue 44, 2018, Page(s) 277-282, ISBN 9780-444642417 Publisher: Elsevier DOI: 10.1016/b978-0-444-64241-7.50041-0 Systematic framework development for the construction of surrogate models for wastewater treatment plants Author(s): Resul Al, Chitta Ranjan Behera, Alexandr Zubov, Gürkan Sin Published in: 13th International Symposium on Process Systems Engineering (PSE 2018), Issue 44, 2018, Page(s) 1909-1914, ISBN 9780-444642417 Publisher: Elsevier DOI: 10.1016/b978-0-444-64241-7.50313-x Towards development of a decision support tool for conceptual design of wastewater treatment plants using stochastic simulation optimization Author(s): Resul Al, Chitta Ranjan Behera, Krist V. Gernaey, Gürkan Sin Published in: 29th European Symposium on Computer Aided Process Engineering, Issue 46, 2019, Page(s) 325-330, ISBN 9780-128186343 Publisher: Elsevier DOI: 10.1016/b978-0-12-818634-3.50055-2 Implementation of a Radial Basis Function control strategy for the crystallization of Ibuprofen under uncertainty Author(s): Frederico Montes, Krist V. Gernaey, Gürkan Sin Published in: 13th International Symposium on Process Systems Engineering (PSE 2018), Issue 44, 2018, Page(s) 565-570, ISBN 9780-444642417 Publisher: Elsevier DOI: 10.1016/b978-0-444-64241-7.50089-6 Property Prediction of Pharmaceuticals for Designing of Downstream Separation Processes Author(s): Getachew S. Molla, Lukasz Ruszczynski, Jens Abildskov, Gürkan Sin Published in: 28th European Symposium on Computer Aided Process Engineering, Issue 43, 2018, Page(s) 287, ISBN 9780-444642356 Publisher: Elsevier DOI: 10.1016/b978-0-444-64235-6.50051-6 Sequential and Simultaneous Optimization Strategies for Increased Production of Monoclonal Antibodies Author(s): Chrysoula D. Kappatou, Oktay Altunok, Adel Mhamdi, Athanasios Mantalaris, Alexander Mitsos Published in: 29th European Symposium on Computer Aided Process Engineering, Issue 46, 2019, Page(s) 1021-1026, ISBN 9780-128186343 Publisher: Elsevier DOI: 10.1016/b978-0-12-818634-3.50171-5 Towards Model-Based Optimization for Quality by Design in Biotherapeutics Production Author(s): Alireza Ehsani, Chrysoula Dimitra Kappatou, Adel Mhamdi, Alexander Mitsos, Andreas Schuppert, Sebastian Niedenfuehr Published in: 29th European Symposium on Computer Aided Process Engineering, Issue 46, 2019, Page(s) 25-30, ISBN 9780-128186343 Publisher: Elsevier DOI: 10.1016/b978-0-12-818634-3.50005-9 Searching for OpenAIRE data... There was an error trying to search data from OpenAIRE No results available