Journal Article (129)

2022
Journal Article
Schlüter, D.; Schulze-Niemand, E.; Stein, M.; Naumann, M.: Ovarian tumor domain proteases in pathogen infection. Trends in Microbiology 30 (1), pp. 22 - 33 (2022)
Journal Article
Schneider, P.; Bekiaris, P. S.; Kamp von, A.; Klamt, S.: StrainDesign: a Comprehensive Python Package for Computational Design of Metabolic Networks. Bioinformatics 38 (21), pp. 4981 - 4983 (2022)
Journal Article
Schulze-Niemand, E.; Naumann, M.; Stein, M.: Substrate‐assisted activation and selectivity of the bacterial RavD effector deubiquitinylase. Proteins: Structure, Function, and Bioinformatics 90 (4), pp. 947 - 958 (2022)
Journal Article
Scoma, A.; Khor, W.; Coma, M.; Heyer, R.; Props, R.; Bouts, T.; Benndorf, D.; Li, D.; Zhang, H.; Rabaey, K.: Lignocellulose Fermentation Products Generated by Giant Panda Gut Microbiomes Depend Ultimately on pH Rather than Portion of Bamboo: A Preliminary Study. Microorganisms 10 (5), 978 (2022)
Journal Article
Seidel, C.; Nikolić, D.; Felischak, M.; Petkovska, M.; Seidel-Morgenstern, A.; Kienle, A.: Forced Periodic Operation of Methanol Synthesis in an Isothermal Gradientless Reactor. Chemical Engineering & Technology 45 (12), pp. 2261 - 2272 (2022)
Journal Article
Smit, A. T.; Verges, M.; Schulze, P.; van Zomeren, A.; Lorenz, H.: Laboratory- to Pilot-Scale Fractionation of Lignocellulosic Biomass Using an Acetone Organosolv Process. ACS Sustainable Chemistry & Engineering 10 (32), pp. 10503 - 10513 (2022)
Journal Article
Song , Z.; Long, N. V. D.; Qin, H.; Tran, N. N.; Fulcheri, L.; Hessel, V.; Sundmacher, K.: Thermal-plasma-assisted renewable hydrogen and solid carbon production from ionic liquid-based biogas upgrading: A process intensification study. Chemical Engineering and Processing - Process Intensification 180, 108777 (2022)
Journal Article
Svitnič, T.; Sundmacher, K.: Renewable methanol production: Optimization-based design, scheduling and waste-heat utilization with the FluxMax approach. Applied Energy 326, 120017 (2022)
Journal Article
Sydor, S.; Dandyk, C.; Schwerdt, J.; Manka, P.; Benndorf, D.; Lehmann, T.; Schallert, K.; Wolf, M.; Reichl, U.; Canbay, A. et al.; Bechmann, L. P.; Heyer, R.: Discovering Biomarkers for Non-Alcoholic Steatohepatitis Patients with and without Hepatocellular Carcinoma Using Fecal Metaproteomics. International Journal of Molecular Sciences 23 (16), 8841 (2022)
Journal Article
Tan, Q.; Hosseini, S. A.; Seidel-Morgenstern, A.; Thévenin, D.; Lorenz, H.: Modeling ice crystal growth using the lattice Boltzmann method. Physics of Fluids 34, 013311 (2022)
Journal Article
Tenberg, V.; Sadeghi, M.; Seidel-Morgenstern, A.; Lorenz, H.: Bypassing thermodynamic limitations in the Crystallization-based separation of solid solutions. Separation and Purification Technology 283, 120169 (2022)
Journal Article
Thiele, S.; Kamp von, A.; Bekiaris, P. S.; Schneider, P.; Klamt, S.: CNApy: a CellNetAnalyzer GUI in Python for Analyzing and Designing Metabolic Networks. Bioinformatics 38 (5), pp. 1467 - 1469 (2022)
Journal Article
Tian, T.; Liu, M.; Li, Y.; Han, J.; Ren, L.; Lorenz, H.; Wu, Q.; Chen, J.: β-Cyclodextrin carbon-based nanoparticles with a core–shell–shell structure for efficient adsorption of crystal violet and bisphenol A. Particuology 62, pp. 88 - 97 (2022)
Journal Article
Tolonen, A. C.; Beauchemin, N.; Bayne, C.; Li, L.; Tan, J.; Lee, J.; Meehan, B. M.; Meisner, J.; Millet, Y.; LeBlanc, G. et al.; Kottler, R.; Rapp, E.; Murphy, C.; Turnbaugh, P. J.; von Maltzahn, G.; Liu, C. M.; van Hylckama Vlieg, J. E. T.: Synthetic glycans control gut microbiome structure and mitigate colitis in mice. Nature Communications 13 (1), 1244 (2022)
Journal Article
Vettermann, J.; Steinert, A.; Brecher, C.; Benner, P.; Saak, J.: Compact Thermo-Mechanical Models for the Fast Simulation of Machine Tools with Nonlinear Component Behavior. at-Automatisierungstechnik 70 (8), pp. 692 - 704 (2022)
Journal Article
Wang, Z.; Zhou, T.; Sundmacher, K.: Interpretable machine learning for accelerating the discovery of metal-organic frameworks for ethane/ethylene separation. Chemical Engineering Journal 444, 136651 (2022)
Journal Article
Wang, Z.; Zhou, Y.; Zhou, T.; Sundmacher, K.: Identification of Optimal Metal-Organic Frameworks by Machine Learning: Structure Decomposition, Feature Integration, and Predictive Modeling. Computers & Chemical Engineering 160, 107739 (2022)
Journal Article
Weber, S.; Zimmermann, R. T.; Bremer, J.; Abel, K. L.; Poppitz, D.; Prinz, N.; Ilsemann, J.; Wendholt, S.; Yang, Q.; Pashminehazar, R. et al.; Monaco, F.; Cloetens, P.; Huang, X.; Kübel, C.; Kondratenko, E.; Bauer, M.; Bäumer, M.; Zobel, M.; Gläser, R.; Sundmacher, K.; Sheppard, T. L.: Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem 14 (8), e202101878 (2022)
Journal Article
Wen, H.; Su, Y.; Wang, Z.; Jin, S.; Ren, J.; Shen, W.; Eden, M.: A systematic modeling methodology of deep neural network‐based structure‐property relationship for rapid and reliable prediction on flashpoints. AIChE Journal 68 (1), 17402 (2022)
Journal Article
Wünsche, S.; Seidel-Morgenstern, A.; Lorenz, H.: Cocrystallization of Curcuminoids with Hydroxybenzenes Pyrogallol and Hydroxyquinol: Investigations of Binary Thermal Phase Behaviors. Crystal Growth & Design 22 (5), pp. 3303 - 3310 (2022)
Journal Article
Xu, J.; Rong, S.; Sun, J.; Peng, Z.; Jin, H.; Guo, L.; Zhang, X.; Zhou, T.: Optimal design of non-isothermal supercritical water gasification reactor: From biomass to hydrogen. Energy 244, 123163 (2022)
Journal Article
Yalçin-Özkat, G.: Computational studies with flavonoids and terpenoids as BRPF1 inhibitors: in silico biological activity prediction, molecular docking, molecular dynamics simulations, MM/PBSA calculations. SAR and QSAR in Environmental Research 33 (7), pp. 533 - 550 (2022)
Journal Article
Yang, A.; Su, Y.; Shi, T.; Ren, J.; Shen, W.; Zhou, T.: Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization. Frontiers of Chemical Science and Engineering 16, pp. 303 - 315 (2022)
Journal Article
Zhang, X.; Sethi, S.; Wang, Z.; Zhou, T.; Qi, Z.; Sundmacher, K.: A neural recommender system for efficient adsorbent screening. Chemical Engineering Science 259, 117801 (2022)
Journal Article
Zhang, X.; Zhou, T.; Sundmacher, K.: Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimization. AIChE Journal 68 (2), e17524 (2022)
Journal Article
Zhang, X.; Zhou, T.; Sundmacher, K.: Integrated metal‐organic framework (MOF) and pressure/vacuum swing adsorption process design:MOFmatching. AIChE Journal 68 (9), e17788 (2022)
Journal Article
Zhaopeng, L.; Nees, M.; Bettenbrock, K.; Rinas, U.: Is energy excess the initial trigger of carbon overflow metabolism? Transcriptional network response of carbon-limited Escherichia coli to transient carbon excess. Microbial Cell Factories 21, 67 (2022)
Journal Article
Zhou, Y.; Zhang, X.; Zhou, T.; Sundmacher, K.: Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene Mixture. Nanomaterials 12 (5), 869 (2022)
Journal Article
Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 428, 130771 (2022)

Book (2)

2022
Book
Beattie, C.; Benner, P.; Embree, M.; Gugercin, S.; Lefteriu, S. (Eds.): Realization and Model Reduction of Dynamical Systems. Springer International Publishing, Cham (2022), XIX, 460 pp.
Book
Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S.; Sundmacher, K. (Eds.): Integrated Chemical Processes in Liquid Multiphase Systems: from Chemical Reaction to Process Design and Operation. De Gruyter, Berlin/Boston (2022), 622 pp.

Book Chapter (10)

2022
Book Chapter
Benner, P.; Grundel, S.; Himpe, C.: Efficient Gas Network Simulations. In: German Success Stories in Industrial Mathematics, pp. 17 - 22 (Eds. Bock, H. G.; Küfer, K. H.; Maass, P.; Milde, A.; Schulz, V.). Springer International Publishing, Cham (2022)
Book Chapter
Chellappa, S.; Feng, L.; Benner, P.: An Adaptive Sampling Approach for the Reduced Basis Method. In: Realization and Model Reduction of Dynamical Systems – A Festschrift in Honor of 70th Birthday of Thanos Antoulas, pp. 137 - 155 (Eds. Beattie, C.; Benner, P.; Embree, M.; Gugercin, S.; Lefteriu, S.). Springer International Publishing, Cham (2022)
Book Chapter
Gerlach, M.; Kirschtowski, S.; Jameel, F.; Huxoll, F.; Stein, M.; Sadowski, G.; Seidel-Morgenstern, A.; Hamel, C.: Kinetic Modeling of Complex Catalytic Reactions in Multiphase Systems. In: Integrated Chemical Processes in Liquid Multiphase Systems, pp. 101 - 149 (Eds. Kraume, M.; Enders, S.). Walter de Gruyter GmbH, Berlin/Boston (2022)
Book Chapter
Gosea, I. V.; Poussot-Vassal, C.; Antoulas, A. C.: Data-driven modeling and control of large-scale dynamical systems in the Loewner framework: Methodology and applications. In: Numerical Control: Part A, pp. 499 - 530 (Eds. Trélat, E.; Zuazua, E.). Elsevier (2022)
Book Chapter
Himpe, C.; Grundel, S.; Benner, P.: Next-Gen Gas Network Simulation. In: Progress in Industrial Mathematics at ECMI 2021, pp. 107 - 113 (Eds. Ehrhardt, M.; Günther, M.). Springer, Cham, Switzerland (2022)
Book Chapter
Jameel, F.; Huxoll, F.; Stein, M.; Sadowski, G.: Solvent Selection for Reactions in Liquid Phases. In: Integrated Chemical Processes in Liquid Multiphase Systems, pp. 523 - 535 (Eds. Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S. et al.). Walter de Gruyter GmbH, Berlin/Boston (2022)
Book Chapter
Mahmoudi, M. H.; Grundel, S.: Estimation of Time-Dependent Parameters in a Simple Compartment Model Using Covid-19 Data. In: Progress in Industrial Mathematics at ECMI 2021, pp. 233 - 238 (Eds. Ehrhardt, M.; Günther, M.). Springer, Cham, Switzerland (2022)
Book Chapter
Petreczky, M.; Gosea, I. V.: Model reduction and realization theory of linear switched systems. In: Realization and Model Reduction of Dynamical Systems – A Festschrift in Honor of 70th Birthday of Thanos Antoulas, pp. 197 - 212 (Eds. Beattie, C.; Benner, P.; Embree, M.; Gugercin, S.; Lefteriu, S.). Springer (2022)
Book Chapter
Pontes Duff, I.; Goyal, P. K.; Benner, P.: Data-Driven Identification of Rayleigh-Damped Second-Order Systems. In: Realization and Model Reduction of Dynamical Systems - A Festschrift in Honor of 70th Birthday of Thanos Antoulas, pp. 255 - 272 (Eds. Beattie, C.; Benner, P.; Embree, M.; Gugercin, S.; Lefteriu, S.). Springer International Publishing, Cham (2022)
Book Chapter
Sundmacher, K.: Integrated Process Design. In: Integrated Chemical Processes in Liquid Multiphase Systems, pp. 509 - 573 (Eds. Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S. et al.). De Gruyter (2022)

Conference Paper (28)

2022
Conference Paper
Bendokat, T.; Zimmermann, R.: Geometric Optimization for Structure-Preserving Model Reduction of Hamiltonian Systems. 10th Vienna International Conference on Mathematical Modelling (MATHMOD), Vienna, Austria, July 27, 2022 - July 29, 2022. IFAC-PapersOnLine 55 (20), pp. 457 - 462 (2022)
Conference Paper
Chernev, V. P.; Santos, L. O.; Wouver, A. V.; Kienle, A.: Model Predictive Control of Simulated Moving Bed Chromatographic Processes Using Conservation Element/Solution Element Method. In: 2022 26th International Conference on System Theory, Control and Computing, ICSTCC 2022 - Proceedings, pp. 355 - 361 (Eds. Barbu, M.; Solea, S.). 26th International Conference on System Theory, Control and Computing, ICSTCC 2022, Sinaia, Romania, October 19, 2022 - October 21, 2022. IEEE, Boca Raton (2022)
Conference Paper
Espinel-Rios, S.; Huber, N.; Alcalá Orozco, E. A.; Morabito, B.; Rexer, T.; Reichl, U.; Klamt, S.; Findeisen, R.: Cell-free biosynthesis meets dynamic optimization and control: a fed-batch framework. 9th IFAC Conference on Foundations of Systems Biology in Engineering (FOSBE), Cambridge, MA, August 28, 2022 - August 31, 2022. IFAC-PapersOnLine 55 (23), pp. 92 - 97 (2022)
Conference Paper
Espinel-Rios, S.; Morabito , B.; Pohlodek, J.; Bettenbrock, K.; Klamt, S.; Findeisen, R.: Optimal control and dynamic modulation of the ATPase gene expression for enforced ATP wasting in batch fermentations. In: IFAC-PapersOnLine, Vol. 55, pp. 174 - 180. 13th IFAC Symposium on Dynamics and Control of Process Systems, including Biosystems, DYCOPS 2022, Busan, Korea, June 14, 2022 - June 17, 2022. (2022)
Conference Paper
Espinel-Rios, S.; Morabito, B.; Bettenbrock, K.; Findeisen, R.: Soft sensor for monitoring dyamic changes in cell composition. 9th IFAC Conference on Foundations of Systems Biology in Engineering (FOSBE), Cambridge, MA, August 28, 2022 - August 31, 2022. IFAC-PapersOnLine 55 (23), pp. 98 - 103 (2022)
Conference Paper
Gänsch, J.; Temmel, E.; Lorenz, H.; Seidel-Morgenstern, A.: Applicability of fluidized bed crystallization for continuous resolution of enantiomers featuring needle-shaped crystals. In: BIWIC 2022 - 27th International Workshop on Industrial Crystallization, pp. 46 - 51 (Eds. Louhi-Kultanen, M.; Ila, M.). BIWIC 2022 - 27th International Workshop on Industrial Crystallization , Espoo, Finland, August 31, 2022 - September 02, 2022. (2022)
Conference Paper
Ghaffari, S.; Schulze, P.; Gutierrez, M.; Lorenz, H.: Crystallization process strategies for sustainable soda ash production. In: BIWIC 2022 - 27th International Workshop on Industrial Crystallization, pp. 88 - 91 (Eds. Ila, M.; Louhi-Kultanen, M.). BIWIC 2022 - 27th International Workshop on Industrial Crystallization, Espoo, Finland, August 31, 2022 - September 02, 2022. (2022)
Conference Paper
Gosea, I. V.; Antoulas, A. C.: The one-sided Loewner framework and connections to other model reduction methods based on interpolation. 25th International Symposium on Mathematical Theory of Networks and Systems MTNS 2022, Bayreuth, Germany, September 12, 2022 - September 16, 2022. IFAC-PapersOnLine 55 (30), pp. 377 - 382 (2022)
Conference Paper
Gosea, I. V.; Pontes Duff, I.: An iterative realization-free approach for model reduction of bilinear systems via Hermitian interpolation. In: 2022 European Control Conference, pp. 584 - 589. 2022 European Control Conference, London, UK, July 12, 2022 - July 15, 2022. IEEE, Boca Raton (2022)
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