[Dissertation / PhD Thesis]
Sharafutdinov, Konstantin
Virtual patient modeling for heterogeneous intensive care unit data for the support of artificial intelligence
, 2023
[DOI: 10.18154/RWTH-2023-05200]

[Journal Article]
Saß, Susanne; Tsoukalas, Angelos; Bell, Ian H.; Bongartz, Dominik; Najman, Jaromil; Mitsos, Alexander
Towards global parameter estimation exploiting reduced data sets
In: Optimization methods & software, 1-13, 2023
[DOI: 10.1080/10556788.2023.2205645]

[Journal Article]
Eberz, Jörg; Doeker, Moritz Paul Ferdinand; Ackermann, Yannic S.; Schaffeld, Dominik; Wierckx, Nick; Jupke, Andreas
Selective Separation of 4,4’-Methylenedianiline, Isophoronediamine and 2,4-Toluenediamine from Enzymatic Hydrolysis Solutions of Polyurethane
In: Solvent extraction and ion exchange, 41 (3), 358-373, 2023
[DOI: 10.1080/07366299.2023.2193229]

[Contribution to a book, Journal Article]
Gebhardt, Ronald; Pütz, Thomas; Schulte, Jann
Nearly Reversible Expansion and Shrinkage of Casein Microparticles Triggered by Extreme pH Changes
In: Micromachines, 14 (3), 678, 2023
[DOI: 10.3390/mi14030678]

[Contribution to a book]
Schweidtmann, Artur M.; Bongartz, Dominik; Mitsos, Alexander
Optimization with Trained Machine Learning Models Embedded
In: Encyclopedia of Optimization : Comprehensive reference work for an ever-growing field of crucial importance to the scientific community : Enhanced online content, up-to-date cross references, and entries keyed to MSC subject codes / Editors: Panos M. Pardalos, Oleg A. Prokopyev, 2023
[DOI: 10.1007/978-3-030-54621-2_735-1]

[Journal Article]
Mucci, Simone; Mitsos, Alexander; Bongartz, Dominik
Power-to-X processes based on PEM water electrolyzers: A review of process integration and flexible operation
In: Computers & chemical engineering : CACE, 175, 108260, 2023
[DOI: 10.1016/j.compchemeng.2023.108260]

[Journal Article]
Steinhoff, Heiko; Finger, Maurice; Osthege, Michael; Golze, Corinna; Schito, Simone; Noack, Stephan; Büchs, Jochen; Grünberger, Alexander
Experimental kS estimation: A comparison of methods for Corynebacterium glutamicum from lab to microfluidic scale
In: Biotechnology & bioengineering, 120 (5), 1288-1302, 2023
[DOI: 10.1002/bit.28345]

[Journal Article]
Schweidtmann, Artur M.; Rittig, Jan Gerald; Weber, Jana M.; Grohe, Martin; Dahmen, Manuel; Leonhard, Kai; Mitsos, Alexander
Physical pooling functions in graph neural networks for molecular property prediction
In: Computers & chemical engineering, 172, 108202, 2023
[DOI: 10.1016/j.compchemeng.2023.108202]

[Journal Article]
Wildenberg, Alina; Döntgen, Malte; Roy, Indu Sekhar; Huang, Can; Lefort, Benoîte; Moyne, Luis Le; Kéromnès, Alan; Leonhard, Kai; Heufer, Karl Alexander
Solving the riddle of the high-temperature chemistry of 1,3-dioxolane
In: Proceedings of the Combustion Institute, 39 (1), 705-713, 2022
[DOI: 10.1016/j.proci.2022.07.194]

[Journal Article]
Bongartz, Patrick; Karmainski, Tobias; Meyer, Moritz; Linkhorst, John; Tiso, Till; Blank, Lars M.; Wessling, Matthias
A novel membrane stirrer system enables foam-free biosurfactant production
In: Biotechnology & bioengineering, 120 (5), 1269-1287, 2023
[DOI: 10.1002/bit.28334]

[Journal Article]
Pastoors, Johannes Tilmann; Baltin, Chris; Bettmer, Jens; Deitert, Alexander; Götzen, Tobias; Michel, Carina; Deischter, Jeff Gaston Jean; Schroll, Isabel; Biselli, Andreas; Palkovits, Regina; Rose, Marcus; Jupke, Andreas; Büchs, Jochen
Respiration-based investigation of adsorbent-bioprocess compatibility
In: Biotechnology for biofuels and bioproducts, 16, 49, 2023
[DOI: 10.1186/s13068-023-02297-0]

[Journal Article]
Rittig, Jan Gerald; Ben Hicham, Karim; Schweidtmann, Artur M.; Dahmen, Manuel; Mitsos, Alexander
Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids
In: Computers & chemical engineering, 171, 108153, 2023
[DOI: 10.1016/j.compchemeng.2023.108153]

[Journal Article]
Roth, Daniel Matthias; Haas, Moritz; Echtermeyer, Alexander Walter Wilhelm; Kaminski, Sebastian; Viell, Jörn; Jupke, Andreas
The Effect of Sulfate Electrolytes on the Liquid-Liquid Equilibrium of 2-MTHF/Water/5-HMF: Experimental Study and Thermodynamic Modeling
In: Journal of chemical & engineering data, 68 (6), 1397-1410, 2023
[DOI: 10.1021/acs.jced.2c00698]

[Journal Article]
Asaduzzaman, Md; Gebhardt, Ronald
Influence of Post-Treatment Temperature on the Stability and Swelling Behavior of Casein Microparticles
In: Macromolecular materials and engineering, 38 (4), 2200661, 2023
[DOI: 10.1002/mame.202200661]

[Journal Article]
Song, Feihong; Straten, Jan W.; Lin, Yang-Ming; Ding, Yuxiao; Schlögl, Robert; Heumann, Saskia; Mechler, Anna Katharina
Binder‐Free N‐Functionalized Carbon Electrodes for Oxygen Evolution Reaction
In: ChemElectroChem, 10 (6), e202201075, 2023
[DOI: 10.1002/celc.202201075]

[Journal Article]
Sparviero, Sarah; Barth, Laura; Keil, Timm; Dinter, Carl; Berg, Christoph; Lattermann, Clemens; Büchs, Jochen
Black glucose-releasing silicon elastomer rings for fed-batch operation allow measurement of the oxygen transfer rate from the top and optical signals from the bottom for each well of a microtiter plate
In: BMC biotechnology, 23, 5, 2023
[DOI: 10.1186/s12896-023-00775-9]

[Contribution to a book, Journal Article]
Sehl, Torsten; Seibt, Lisa; Kappauf, Katrin; Ergezinger, Pia; Spöring, Jan-Dirk; Mielke, Kristina Ulla Margareta; Doeker, Moritz Paul Ferdinand; Verma, Neha; Bocola, Marco; Daußmann, Thomas; Chen, Haibin; Shi, Shumin; Jupke, Andreas; Rother, Dörte
Enzymatic (2R,4R)-Pentanediol Synthesis - "Putting a Bottle on the Table" 
In: Chemie - Ingenieur - Technik : CIT, 95 (4), 557-564, 2023
[DOI: 10.1002/cite.202200178]

[Journal Article]
Hirschwald, Lukas Tobias; Brosch, Sebastian; Linz, Georg Franz; Linkhorst, John; Wessling, Matthias
Freeform membranes with tunable permeability in microfluidics
In: Advanced Materials Technologies, 10 (9), 2201857, 2023
[DOI: 10.1002/admt.202201857]

[Contribution to a book, Journal Article]
Palmtag, Andreas; Schröder, Christian Pascal; Zhai, Song; Jupke, Andreas
Extraction Technologies at ACHEMA 2022
In: Chemie - Ingenieur - Technik : CIT, 95 (6), 874-876, 2023
[DOI: 10.1002/cite.202300016]

[Journal Article]
Fleitmann, Lorenz Heinrich Johannes; Ackermann, Philipp; Schilling, Johannes; Kleinekorte, Johanna; Rittig, Jan Gerald; vom Lehn, Florian Alexander; Schweidtmann, Artur M.; Pitsch, Heinz; Leonhard, Kai; Mitsos, Alexander; Bardow, André; Dahmen, Manuel
Molecular design of fuels for maximum spark-ignition engine efficiency by combining predictive thermodynamics and machine learning
In: Energy & fuels, 37 (3), 2213-2229, 2023
[DOI: 10.1021/acs.energyfuels.2c03296]

[Contribution to a book, Journal Article]
Al-Mhanna, Najah; Pistorius, Michael; Al Sammarraie, Lanah
Optimization of the Cultivation Conditions of the Green Algae Dunaliella salina by Using Simplex Method
In: Processes, 11 (1), 292, 2023
[DOI: 10.3390/pr11010292]

[Journal Article]
Gausmann, Marcel; Kiefel, Robert; Jupke, Andreas
Modeling of electrochemical pH swing extraction reveals economic potential for closed-loop bio-succinic acid production
In: Chemical engineering research and design : CERD, 190, 590-604, 2023
[DOI: 10.1016/j.cherd.2022.12.022]

[Contribution to a book, Journal Article]
Tenhaef, Niklas; Hermann, Alina; Müller, Moritz Fabian; Görtz, Jonas; Marienhagen, Jan; Oldiges, Marco; Wiechert, Wolfgang; Bott, Michael; Jupke, Andreas; Hartmann, Laura; Herres-Pawlis, Sonja; Noack, Stephan
From Microbial Succinic Acid Production to Polybutylene Bio-Succinate Synthesis 
In: Chemie - Ingenieur - Technik : CIT, 95 (4), 587-595, 2023
[DOI: 10.1002/cite.202200163]

[Journal Article]
Berg, Christoph; Herbst, Laura Marie; Gremm, Lisa; Ihling, Nina; Paquet-Durand, Olivier; Hitzmann, Bernd; Büchs, Jochen
Assessing the capabilities of 2D fluorescence monitoring in microtiter plates with data-driven modeling for secondary substrate limitation experiments of Hansenula polymorpha
In: Journal of biological engineering, 17, 12, 2023
[DOI: 10.1186/s13036-023-00332-0]

[Patent]
Bongartz, Patrick; Meyer, Moritz; Wessling, Matthias; Scheele, Alexander
Verfahren zur Additiven Fertigung poröser gasdurchlässiger Formkörper mit steuerbarer Porosität
, 2023

[Journal Article]
Seidenberg, J. Raphael; Khan, Ahmad A.; Lapkin, Alexei A.
Boosting autonomous process design and intensification with formalized domain knowledge
In: Computers & chemical engineering, 169, 108097, 2022
[DOI: 10.1016/j.compchemeng.2022.108097]

[Conference Presentation]
Schulze, Jan Christoph; Mitsos, Alexander
Data-Driven Nonlinear Model Reduction Using Koopman Theory: Integrated Control Form and NMPC Case Study
In: 61. IEEE Conference on Decision and Control Cancun 2022-12-06 - 2022-12-09, 2023

[Conference Presentation]
Schulze, Jan Christoph; Doncevic, Danimir; Erwes, Nils; Mitsos, Alexander
Data-driven Model Reduction and Nonlinear Model Predictive Control of an Air Separation Unit by Applied Koopman Theory
In: Foundations of Computer Aided Process Operations / Chemical Process Control San Antonio, TX 2023-01-08 - 2023-01-12, 2023

[Journal Article]
Hoffmann, Kyra; Schilling, Jana Viola; Wandrey, Georg Benjamin; Welters, Tim; Mahr, Stefan; Conrath, Uwe; Büchs, Jochen
Spotting priming-active compounds using parsley cell cultures in microtiter plates
In: BMC plant biology, 23 (1), 72, 2023
[DOI: 10.1186/s12870-023-04043-y]

[Journal Article]
Bachmann, Denise; Pal, Upasana; Bockwoldt, Julia A.; Schaffert, Lena; Roentgen, Robin; Büchs, Jochen; Kalinowski, Jörn; Blank, Lars M.; Tiso, Till
C-, N-, S-, and P-Substrate Spectra in and the Impact of Abiotic Factors on Assessing the Biotechnological Potential of Paracoccus pantotrophus
In: Applied Microbiology, 3 (1), 175-198, 2023
[DOI: 10.3390/applmicrobiol3010013]

[Journal Article]
Begall, Moritz Johannes; Schweidtmann, Artur M.; Mhamdi, Adel; Mitsos, Alexander
Geometry optimization of a continuous millireactor via CFD and Bayesian optimization
In: Computers & chemical engineering, 171, 108140, 2023
[DOI: 10.1016/j.compchemeng.2023.108140]

[Journal Article]
von Campenhausen, Lukas Maximilian; Demling, Philipp; Bongartz, Patrick; Scheele, Alexander; Tiso, Till; Wessling, Matthias; Blank, Lars M.; Jupke, Andreas
Novel multiphase loop reactor with improved aeration prevents excessive foaming in Rhamnolipid production by Pseudomonas putida
In: Discover Chemical Engineering, 3 (1), 2, 2023
[DOI: 10.1007/s43938-023-00018-5]

[Journal Article]
Babor, Majharulislam; Paquet-Durand, Olivier; Berg, Christoph; Büchs, Jochen; Hitzmann, Bernd
Online Process State Estimation for Hansenula Polymorpha Cultivation with 2D Fluorescence Spectra-Based Chemometric Model Calibrated from a Theoretical Model in Place of Offline Measurements
In: Fermentation : open access zymology & zymurgy journal, 9 (2), 95, 2023
[DOI: 10.3390/fermentation9020095]

[Journal Article]
Rittig, Jan Gerald; Ritzert, Martin; Schweidtmann, Artur M.; Winkler, Stefanie; Weber, Jana M.; Morsch, Philipp; Heufer, Karl Alexander; Grohe, Martin; Mitsos, Alexander; Dahmen, Manuel
Graph machine learning for design of high-octane fuels
In: AIChE journal, 69 (4), e17971, 2022
[DOI: 10.1002/aic.17971]

[Journal Article]
Asaduzzaman, Md; Schulte, Jann; Gebhardt, Ronald
Soft Matter Engineering for the Fabrication of Functionalized Casein Microparticles 
In: Chemie - Ingenieur - Technik : CIT, 2023
[DOI: 10.1002/cite.202200114]

[Journal Article]
Nevolianis, Thomas; Wolter, Nadja Anna; Kaven, Luise Friederike; Krep, Lukas; Huang, Can; Mhamdi, Adel; Mitsos, Alexander; Pich, Andrij; Leonhard, Kai
Kinetic modeling of a poly(n-vinylcaprolactam-co-glycidyl methacrylate) microgel synthesis: a hybrid in silico and experimental approach
In: Industrial & engineering chemistry research : I & EC research, 62 (2), 893-902, 2023
[DOI: 10.1021/acs.iecr.2c03291]

[Journal Article]
Conen, Niclas; Fuchs, Martin; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jupke, Andreas
Taking the Next Step—Model‐Based Analysis of Robust and Non‐Toxic Zn Catalysts for the Ring Opening Polymerization of Lactide in the Polymer Melt
In: Advanced sustainable systems, 7 (2), 2200359, 2022
[DOI: 10.1002/adsu.202200359]

[Contribution to a book, Journal Article]
Polte, Lukas; Raßpe-Lange, Lukas; Latz, Filip; Jupke, Andreas; Leonhard, Kai
COSMO‐CAMPED - Solvent Design for an Extraction Distillation Considering Molecular, Process, Equipment, and Economic Optimization
In: Chemie - Ingenieur - Technik : CIT, 95 (3), 416-426, 2022
[DOI: 10.1002/cite.202200144]

[Journal Article]
Wiesner, Florian; Limper, Alexander Heinrich; Marth, Cedric; Brodersen, Anselm; Wessling, Matthias; Linkhorst, John
Additive Manufacturing of Intertwined Electrode Pairs ‐ Guided Mass Transport with Gyroids
In: Advanced engineering materials, 25 (1), 2200986, 2022
[DOI: 10.1002/adem.202200986]

[Journal Article]
Hoffmann, Kyra; Halmschlag, Birthe; Briel, Simon; Sieben, Michaela Maria; Putri, Sastia; Fukusaki, Eiichiro; Blank, Lars M.; Büchs, Jochen
Online measurement of the viscosity in shake flasks enables monitoring of γ-PGA production in depolymerase knockout mutants of Bacillus subtilis with the phosphate-starvation inducible promoter Ppst
In: Biotechnology progress, 39 (1), e3293, 2022
[DOI: 10.1002/btpr.3293]

[Contribution to a book, Journal Article]
Finger, Maurice; Sentek, Fabio; Hartmann, Lukas; Palacio-Barrera, Ana M.; Schlembach, Ivan; Rosenbaum, Miriam A.; Büchs, Jochen
Insights into Streptomyces coelicolor A3(2) growth and pigment formation with high-throughput online monitoring
In: Engineering in life sciences, 23 (1), e2100151, 2022
[DOI: 10.1002/elsc.202100151]

[Dataset]
Saß, Susanne; Tsoukalas, Angelos; Bell, Ian H.; Bongartz, Dominik; Najman, Jaromil; Mitsos, Alexander
Dataset from: Towards Global Parameter Estimation Exploiting Reduced Data Sets
, 2023
[DOI: 10.18154/RWTH-2022-03252]

[Contribution to a book, Journal Article]
Leenders, Ludger; Hagedorn, Dörthe Franzisca; Djelassi, Hatim; Bardow, André; Mitsos, Alexander
Bilevel optimization for joint scheduling of production and energy systems
In: Optimization and engineering, 24 (1), 499-537, 2022
[DOI: 10.1007/s11081-021-09694-0]

[Journal Article]
Burre, Jannik; Bongartz, Dominik; Mitsos, Alexander
Comparison of MINLP formulations for global superstructure optimization
In: Optimization and engineering, 24 (2), 801-830, 2022
[DOI: 10.1007/s11081-021-09707-y]

[Journal Article]
Houfani, Aicha Asma; Anders, Nico; Loogen, Judith; Heyman, Benedikt; Azzouz, Zahra; Bettache, Azzeddine; Büchs, Jochen; Benallaoua, Said
Lignocellulosic biomass degradation enzymes and characterization of cellulase and xylanase from Bosea sp. FBZP-16
In: Biomass Conversion and Biorefinery, 13, 12085-12103, 2021
[DOI: 10.1007/s13399-021-02044-1]

[Poster]
Walter, Julian David; Manchanda, Ashutosh; Wolff, Michael; Borning, Maximilian Arne Walther; König, Andrea; Walther, Grit; Mitsos, Alexander; Moser, Albert
Production Potentials of Biomass- and Electricity-Based Fuels in Europe under Uncertain Resource Availabilities
In: 9. International conference Fuel Science - From Production to Propulsion Aachen, digital 2021-06-22 - 2021-06-24, 2023
[DOI: 10.18154/RWTH-2021-08563]

[Dataset]
Conen, Niclas; Fuchs, Martin; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jupke, Andreas
Experimental data to the publication "Taking the next step - Model-based analysis of robust and non-toxic Zn catalysts for the ring opening polymerization of lactide in the polymer melt" - Part 2
, 2022
[DOI: 10.22000/808]

[Dataset]
Conen, Niclas; Fuchs, Martin; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jupke, Andreas
Experimental data to the publication "Taking the next step - Model-based analysis of robust and non-toxic Zn catalysts for the ring opening polymerization of lactide in the polymer melt"
, 2022
[DOI: 10.22000/579]

[Dataset]
Raßpe-Lange, Lukas; Hoffmann, Alexander; Gertig, Christoph Udo; Heck, Joshua; Leonhard, Kai; Herres-Pawlis, Sonja
Experimental data and optimised coordinates to the publication Geometrical Benchmarking and Analysis of Redox Potentials of Copper(I/II) Guanidine-Quinoline Complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (Part III)
, 2022
[DOI: 10.22000/593]

[Journal Article]
Kalde, Anna Maria; Grosseheide, Maren; Brosch, Sebastian; Pape, Sharon V.; Keller, Robert Gregor; Linkhorst, John; Wessling, Matthias
Micromodel of a Gas Diffusion Electrode Tracks In‐Operando Pore‐Scale Wetting Phenomena
In: Small : nano micro, 18 (49), 2204012, 2022
[DOI: 10.1002/smll.202204012]