Publications IMPRS

Journal Article (12)

2022
Journal Article
Abel, K. L.; Beger, T.; Poppitz, D.; Zimmermann, R. T.; Kuschel, O.; Sundmacher, K.; Gläser, R.: Monolithic Al2O3 Xerogels with Hierarchical Meso‐/Macropore System as Catalyst Supports for Methanation of CO2. ChemCatChem, e202200288 (2022)
Journal Article
An, X.; Hayat, A.; Lee, J. W.; Qamar, S.; Warnecke, G.; Seidel-Morgenstern, A.: Analysis and experimental demonstration of temperature step gradients in preparative liquid chromatography. Journal of Chromatography A 1665, 462831 (2022)
Journal Article
de la Rubia, V.; Chellappa, S.; Feng, L.; Benner, P.: Fast A Posteriori State Error Estimation for Reliable Frequency Sweeping in Microwave Circuits via the Reduced-Basis Method. IEEE Transactions on Microwave Theory and Techniques (accepted)
Journal Article
Hessel, V.; Tran, N. N.; Asrami, M. R.; Tran, Q. D.; Van Duc Long, N.; Escribà-Gelonch, M.; Tejada, J. O.; Linke, S.; Sundmacher, K.: Sustainability of green solvents – review and perspective. Green Chemistry 24, pp. 410 - 437 (2022)
Journal Article
Keßler, T.; Kunde, C.; Linke, S.; Sundmacher, K.; Kienle, A.: Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefines. Chemical Engineering Science 249, 117243 (2022)
Journal Article
Nikolić, D.; Seidel, C.; Felischak, M.; Miličić, T.; Kienle, A.; Seidel-Morgenstern, A.; Petkovska, M.: Forced periodic operations of a chemical reactor for methanol synthesis – The search for the best scenario based on Nonlinear Frequency Response Method. Part I Single input modulations. Chemical Engineering Science 248, 117134 (2022)
Journal Article
Sanchez Medina, E. I.; Linke, S.; Stoll, M.; Sundmacher, K.: Graph neural networks for the prediction of infinite dilution activity coefficients. Digital Discovery 1 (3), pp. 216 - 225 (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
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
Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 428, 130771 (2022)

Talk (3)

2022
Talk
Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne-1. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)
Talk
Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Tailored Molecular Weight Fractionation of Lignin: Refining Organosolv Lignin for Valuable Products. ISGC 2022, La Rochelle, France (2022)
Talk
Seidel-Morgenstern, A.; Vu, T. G.; Triemer, S.; Wünsche, S.; Lee, J. W.; Lorenz, H.: Provision and purification of artemisinin for the production of potent anti-malaria drugs. Journées Scientifiques de l’Association Française de l'Adsorption, Virtually (2022)

Poster (2)

2022
Poster
Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Conformational Transitions in the Catalytic Cycle of Cezanne‐1. Hybrid Workshop "Computer Simulation and Therory of Macromolecules", Hünfeld, Germany (2022)
Poster
Lehr, A.; Janiga, G.; Thévenin, D.; Seidel-Morgenstern, A.: Untersuchung des flüssigen Verweilzeitverhaltens in einem fest-flüssig Schnecken-Extraktor im Gegenstromprinzip anhand von Experimenten und CFD. Jahrestreffen der ProcessNet-Fachgruppen Computational Fluid Dynamics, Mischvorgänge, Agglomerations- und Schüttguttechnik 2022, Leipzig, Germany (2022)

Thesis - PhD (1)

2022
Thesis - PhD
Mahour, R.: Scalable multi-enzyme platforms for the in vitro glycoengineering of therapeutic proteins & synthesis of human milk oligosaccharides. Dissertation, Otto-von-Guericke-Universität, Magdeburg (2022)
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