Journal Article (721)

2021
Journal Article
Pandey, I. K.; Agarwal, T.; Mobin, S. M.; Stein, M.; Kaur-Ghumaan, S.: Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand. ACS Omega 6, pp. 4192 - 4203 (2021)
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Pech, S.; Rehberg, M.; Janke, R.; Benndorf, D.; Genzel, Y.; Muth, T.; Sickmann, A.; Rapp, E.; Reichl, U.: Tracking changes in adaptation to suspension growth for MDCK cells: cell growth correlates with levels of metabolites, enzymes and proteins. Applied Microbiology and Biotechnology 105, pp. 1861–1874 - 1874 (2021)
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Peng, D.; Kleiweg, A.-J.; Winkelman, J. G. M.; Song, Z.; Picchioni, F.: A Hierarchical Hybrid Method for Screening Ionic Liquid Solvents for Extractions Exemplified by the Extractive Desulfurization Process. ACS Sustainable Chemistry & Engineering 9 (7), pp. 2705 - 2716 (2021)
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Pralow, A.; Nikolay, A.; Leon, A.; Genzel, Y.; Rapp, E.; Reichl, U.: Site-specific N-glycosylation analysis of animal cell culture-derived Zika virus proteins. Scientific Reports 11, 5147 (2021)
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Puan, K. J.; San Luis, B.; Yusof, N.; Kumar, D.; Andiappan, A. K.; Lee, W.; Cajic, S.; Vuckovic, D.; Chan, J. D.; Döllner, T. et al.; Hou, H. W.; Jiang, Y.; Tian, C.; Agee, M.; Aslibekyan, S.; Auton, A.; Babalola, E.; Bell, R. K.; Bielenberg, J.; Bryc, K.; Bullis, E.; Cameron, B.; Coker, D.; Partida, G. C.; Dhamija, D.; Das, S.; Elson, S. L.; Filshtein, T.; Fletez-Brant, K.; Fontanillas, P.; Freyman, W.; Gandhi, P. M.; Heilbron, K.; Hicks, B.; Hinds, D. A.; Huber, K. E.; Jewett, E. M.; Kleinman, A.; Kukar, K.; Lane, V.; Lin, K.-H.; Lowe, M.; Luff, M. K.; McCreight, J. C.; McIntyre, M. H.; McManus, K. F.; Micheletti, S. J.; Moreno, M. E.; Mountain, J. L.; Mozaffari, S. V.; Nandakumar, P.; Noblin, E. S.; O’Connell, J.; Petrakovitz, A. A.; Poznik, G. D.; Schumacher, M.; Shastri, A. J.; Shelton, J. F.; Shi, J.; Shringarpure, S.; Tran, V.; Tung, J. Y.; Wang, X.; Wang, W.; Weldon, C. H.; Wilton, P.; Rapp, E.; Poidinger, M.; Wang, D. Y.; Soranzo, N.; Lee, B.; Rötzschke, O.: FUT6 deficiency compromises basophil function by selectively abrogating their sialyl-Lewis x expression. Communications Biology 4, 832 (2021)
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Redmann, M.; Bayer, C.; Goyal, P. K.: Low-Dimensional Approximations of High-Dimensional Asset Price Models. SIAM Journal on Financial Mathematics 12 (1), pp. 1 - 28 (2021)
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Rehman, A.; Aslam, R. D.; Meraj, M.A.; Qamar, S.: High order finite volume weighted essentially non-oscillatory scheme for solving the isentropic two-phase flow model. Results in Applied Mathematics 10, 100155 (2021)
Journal Article
Reichl, U.; Seidel-Morgenstern, A.; Sundmacher, K.; Tsotsas, E.; van Wachem, B.: Forschungsarbeiten am Institut für Verfahrenstechnik der Otto‐von‐Guericke‐Universität Magdeburg. Chemie Ingenieur Technik 93 (3), pp. 345 - 352 (2021)
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Sarna, N.: A Positive and Stable L2-minimization Based Moment Method for the Boltzmann Equation of Gas dynamics. Journal of Computational Physics 440, 110428, 26 pages (2021)
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Seidel, C.; Nikolic, D.; Felischak, M.; Petkovska, M.; Seidel-Morgenstern, A.; Kienle, A.: Optimization of Methanol Synthesis under Forced Periodic Operation. Processes 9 (5), 872 (2021)
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Shi, H.; Zhang, X.; Sundmacher, K.; Zhou, T.: Model-Based Optimal Design of Phase Change Ionic Liquids for Efficient Thermal Energy Storage. Green Energy & Environment 6 (3), pp. 392 - 404 (2021)
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Shi, H.; Zhou, T.: Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing. Frontiers of Chemical Science and Engineering 15, pp. 49 - 59 (2021)
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Sivakumar, D.; Stein, M.: Binding of SARS-CoV Covalent Non-Covalent Inhibitors to the SARS-CoV-2 Papain-Like Protease and Ovarian Tumor Domain Deubiquitinases. Biomolecules 11, 802 (2021)
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Song, Z.; Wang, J.; Sundmacher, K.: Evaluation of COSMO-RS for solid-liquid equilibria prediction of binary eutectic solvent systems. Green Energy & Environment 6 (3), pp. 371 - 379 (2021)
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Stoll, A.; Benner, P.: Machine Learning for Material Characterization with an Application for Predicting Mechanical Properties. GAMM-Mitteilungen: Special Issue: Scientific Machine Learning - Part I 44 (1), e202100003, 21 pages (2021)
Journal Article
Stracy, M.; Schweizer, J.; Sherratt, D. J.; Kapanidis, A. N.; Uphoff, S.; Lesterlin, C.: Transient non-specific DNA binding dominates the target search of bacterial DNA-binding proteins. Molecular Cell 81 (7), pp. 1499 - 1514 (2021)
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Uebbing, J.; Biegler, L. T.; Rihko-Struckmann, L.; Sager, S.; Sundmacher, K.: Optimization of Pressure Swing Adsorption via a Trust-Region Filter Algorithm and Equilibrium Theory. Computers & Chemical Engineering 151, 107340 (2021)
Journal Article
Walter, J. P.; Brune, A.; Seidel-Morgenstern, A.; Hamel, C.: Model‐based Analysis of Fixed‐bed and Membrane Reactors of Various Scale. Chemie Ingenieur Technik 93 (5), pp. 819 - 824 (2021)
Journal Article
Wang, M.; Weber, A.; Hartig, R.; Zheng, Y.; Krafft, D.; Vidaković-Koch, T.; Zuschratter, W.; Ivanov, I.; Sundmacher, K.: Scale up of Transmembrane NADH Oxidation in Synthetic Giant Vesicles. Bioconjugate Chemistry 32 (5), pp. 897 - 903 (2021)
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Wang, Z.; Song, Z.; Zhou, T.: Machine Learning for Ionic Liquid Toxicity Prediction. Processes 9 (1), 65 (2021)
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Wohlfromm, F.; Richter, M.; Otrin, L.; Seyrek, K.; Vidaković-Koch, T.; Kuligina, E.; Richter, V.; Koval, O.; Lavrik, I. N.: Interplay Between Mitophagy and Apoptosis Defines a Cell Fate Upon Co-treatment of Breast Cancer Cells With a Recombinant Fragment of Human κ-Casein and Tumor Necrosis Factor-Related Apoptosis-Inducing Ligand. Frontiers in Cell and Developmental Biology 8, 617762 (2021)
Journal Article
Wünsche, S.; Yuan, L.; Seidel-Morgenstern, A.; Lorenz, H.: A Contribution to the Solid State Forms of Bis(demethoxy)curcumin: Co-Crystal Screening and Characterization. Molecules 26, 720 (2021)
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Yıldız, S.; Goyal, P. K.; Benner, P.; Karasözen, B.: Learning Reduced-order Dynamics for Parametrized Shallow Water Equations from Data. International Journal for Numerical Methods in Fluids 93 (8), pp. 2803 - 2821 (2021)
2020
Journal Article
Aliyev, N.; Benner, P.; Mengi, E.; Voigt, M.: A Subspace Framework for H-Norm Minimization. SIAM Journal on Matrix Analysis and Applications 41 (2), pp. 928 - 956 (2020)
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Altaf, H.; Vorhauer, N.; Tsotsas, E.; Vidaković-Koch, T.: Steady-State Water Drainage by Oxygen in Anodic Porous Transport Layer of Electrolyzers: A 2D Pore Network Study. Processes 8, 362 (2020)
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Bechtel, S.; Bayer, B.; Vidaković-Koch, T.; Wiser, A.; Vogel, H.; Sundmacher, K.: Precise determination of LJ parameters and Eucken correction factors for a more accurate modeling of transport properties in gases. Heat and Mass Transfer 56 (8), pp. 2515 - 2527 (2020)
Journal Article
Bechtel, S.; Vidaković-Koch, T.; Weber, A. Z.; Sundmacher, K.: Model-Based Analysis of the Limiting Mechanisms in the Gas-Phase Oxidation of HCl Employing an Oxygen Depolarized Cathode. Journal of the Electrochemical Society 167, 013537 (2020)
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Bekiaris, P. S.; Klamt, S.: Automatic construction of metabolic models with enzyme constraints. BMC Bioinformatics 21, 19 (2020)
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Benner, P.; Bujanović, Z.; Kürschner, P.; Saak, J.: A Numerical Comparison of Different Solvers for Large-Scale, Continuous-Time Algebraic Riccati Equations and LQR Problems. SIAM Journal on Scientific Computing 42 (2), pp. A957 - A996 (2020)
Journal Article
Benner, P.; Dolgov, S.; Onwunta, A.; Stoll, M.: Low-Rank Solution of an Optimal Control Problem constrained by Random Navier-Stokes Equations. International Journal for Numerical Methods in Fluids 92 (11), pp. 1653 - 1678 (2020)
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Benner, P.; Du, X.; Yang, G.; Ye, D.: Balanced truncation of linear time-invariant systems over finite-frequency ranges. Advances in Computational Mathematics 46, 82, 34 pages (2020)
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Benner, P.; Goyal, P. K.; Kramer, B.; Peherstorfer, B.; Willcox, K.: Operator Inference for Non-Intrusive Model Reduction of Systems with Non-Polynomial Nonlinear Terms. Computer Methods in Applied Mechanics and Engineering 372, 113433, 17 pages (2020)
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Benner, P.; Goyal, P. K.; Van Dooren, P.: Identification of Port-Hamiltonian Systems from Frequency Response Data. Systems & Control Letters 143, 104741, 9 pages (2020)
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Benner, P.; Trautwein, C.: Optimal Distributed and Tangential Boundary Control for the Unsteady Stochastic Stokes Equations. ESAIM: Control, Optimisation and Calculus of Variations 26, 62, 32 pages (2020)
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Benner, P.; Werner, S. W. R.: Hankel-Norm Approximation of Large-Scale Descriptor Systems. Advances in Computational Mathematics 46 (3), 40, 31 pages (2020)
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Benner, P.; Breiten, T.; Hartmann, C.; Schmidt, B.: Model Reduction of Controlled Fokker-Planck and Liouville-von Neumann Equations. Journal of Computational Dynamics 7 (1), pp. 1 - 33 (2020)
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Benner, P.; Heinkenschloss, M.; Saak, J.; Weichelt, H. K.: Efficient Solution of Large-Scale Algebraic Riccati Equations Associated with Index-2 DAEs via the Inexact Low-Rank Newton-ADI Method. Applied Numerical Mathematics 152, pp. 338 - 354 (2020)
Journal Article
Brune, A.; Seidel-Morgenstern, A.; Hamel, C.: Analysis and Model-Based Description of the Total Process of Periodic Deactivation and Regeneration of a VOx Catalyst for Selective Dehydrogenation of Propane. Catalysts 10, 1374 (2020)
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Carneiro, T.; Wrzosek, K.; Bettenbrock, K.; Lorenz, H.; Seidel-Morgenstern, A.: Immobilization of an amino acid racemase for application in crystallization‐based chiral resolutions of asparagine monohydrate. Engineering in Life Sciences 20 (12), pp. 550 - 561 (2020)
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Cascella, F.; Seidel-Morgenstern, A.; Lorenz, H.: Exploiting Ternary Solubility Phase Diagrams for Resolution of Enantiomers: An Instructive Example. Chemical Engineering and Technology 43 (2), pp. 329 - 336 (2020)
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Cascella, F.; Temmel, E.; Seidel-Morgenstern, A.; Lorenz, H.: Efficient resolution of racemic guaifenesin via batch preferential crystallization processes. Organic Process Research & Development 24 (1), pp. 50 - 58 (2020)
Journal Article
Chellappa, S.; Feng, L.; Benner, P.: Adaptive Basis Construction and Improved Error Estimation for Parametric Nonlinear Dynamical Systems. International Journal for Numerical Methods in Engineering: Special Issue: Credible High-Fidelity and Low-Cost Simulations in Computational Engineering 121 (23), pp. 5320 - 5349 (2020)
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Chernev, V.; Vande Wouwer, A.; Kienle, A.: Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method. Processes 8, 1316 (2020)
Journal Article
Coronel, J.; Gränicher, G.; Sandig, V.; Noll, T.; Genzel, Y.; Reichl, U.: Application of an Inclined Settler for Cell Culture-Based Influenza A Virus Production in Perfusion Mode. Frontiers in Bioengineering and Biotechnology 8, 672 (2020)
Journal Article
Creutznacher, R.; Schulze, E.; Wallmann, G.; Peters, T.; Stein, M.; Mallagaray, A.: Chemical-Shift Perturbations Reflect Bile Acid Binding to Norovirus Coat Protein - Recognition Comes in Different Flavors. ChemBioChem: A European Journal of Chemical Biology 21 (7), pp. 1007 - 1021 (2020)
Journal Article
Dam, A. P.; Papakonstantinou, G.; Sundmacher, K.: On the role of microkinetic network structure in the interplay between oxygen evolution reaction and catalyst dissolution. Scientific Reports 10, 14140 (2020)
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Dürr, R.; Bück, A.: Approximate Moment Methods for Population Balance Equations in Particulate and Bioengineering Processes. Processes 8 (4), 414 (2020)
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Duvigneau, S.; Dürr, R.; Laske, T.; Bachmann, M.; Dostert, M.; Kienle, A.: Model-based approach for predicting the impact of genetic modifications on product yield in biopharmaceutical manufacturing—Application to influenza vaccine production. PLoS Computational Biology 16 (6), e1007810 (2020)
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Engel, S.; Liesche, G.; Sundmacher, K.; Janiga, G.; Thévenin, D.: Optimal Tube Bundle Arrangements in Side-Fired Methane Steam Reforming Furnaces. Frontiers in Energy Research 8, 583346 (2020)
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Fachet, M.; Witte, C.; Flassig, R.; Rihko-Struckmann, L.; McKie-Krisberg, Z.; Polle, J.; Sundmacher, K.: Reconstruction and analysis of a carbon-core metabolic network for Dunaliella salina. BMC Bioinformatics 21, 1 (2020)
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