OA Publications of the Max Planck Institute

Journal Article

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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Journal Article

Alvarado Perea, L.; Colín Luna, J. A.; López Gaona, A.; Wolff, T.; Pacheco Sosa, J. G.; García Martínez, J. C.: Simultaneous adsorption of quinoline and dibenzothiophene over Ni-based mesoporous materials at different Si/Al ratio. Catalysis Today 353, pp. 26 - 38 (2020)

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Journal Article

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)

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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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Journal Article

Bekiaris, P. S.; Klamt, S.: Automatic construction of metabolic models with enzyme constraints. BMC Bioinformatics 21, 19 (2020)

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Journal Article

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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Journal Article

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)

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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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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)

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Journal Article

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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Journal Article

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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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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Journal Article

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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Journal Article

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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Journal Article

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)

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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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Journal Article

Chernev, V.; Vande Wouwer, A.; Kienle, A.: Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method. Processes 8, 1316 (2020)

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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)

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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)

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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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

Felischak, M.; Wolff, T.; Alvarado Perea, L.; Seidel-Morgenstern, A.; Hamel, C.: Detailed Kinetic Model for the Reaction of Ethene to Propene on Ni/AlMCM-41. Chemie-Ingenieur-Technik 92 (5), pp. 564-574 - 574 (2020)

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Journal Article

Gosea, I. V.; Zhang, Q.; Antoulas, A. C.: Preserving the DAE Structure in the Loewner Model Reduction and Identiﬁcation Framework. Advances in Computational Mathematics 46, 3 (2020)

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Journal Article

Gränicher, G.; Coronel, J.; Trampler, F.; Jordan, I.; Genzel, Y.; Reichl, U.: Performance of an Acoustic Settler Versus a Hollow Fiber-Based ATF Technology for Influenza Virus Production in Perfusion. Applied Microbiology and Biotechnology 104 (11), pp. 4877 - 4888 (2020)

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Journal Article

Harriehausen, I.; Wrzosek, K.; Lorenz, H.; Seidel-Morgenstern, A.: Assessment of process configurations to combine enantioselective chromatography with enzymatic racemization. Adsorption 26 (7), pp. 1199 - 1213 (2020)

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Journal Article

Himmel, A.; Sager, S.; Sundmacher, K.: Time-minimal set point transition for nonlinear SISO systems under different constraints. Automatica 114, 108806 (2020)

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Journal Article

Horosanskaia, E.; Yuan, L.; Seidel-Morgenstern, A.; Lorenz, H.: Purification of Curcumin from Ternary Extract-Similar Mixtures of Curcuminoids in a Single Crystallization Step. Crystals 10 (3), 206 (2020)

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Journal Article

Isakov, A. I.; Lorenz, H.; Zolotarev Jr, A. A.; Kotelnikova, E. N.: Heteromolecular compounds in binary systems ofamino acids with opposite and same chiralities. CrystEngComm 22, pp. 986 - 997 (2020)

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Journal Article

Kamp von, A.; Klamt, S.: MEMO: A Method for Computing Metabolic Modules for Cell-Free Production Systems. ACS Synthetic Biology 9 (3), pp. 556 - 566 (2020)

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Journal Article

Khoromskaia, V.; Khoromskij, B.; Otto, F.: Numerical Study in Stochastic Homogenization for Elliptic Partial Differential Equations: Convergence Rate in the Size of Representative Volume Elements. Numerical Linear Algebra with Applications 27 (3), e2296, 23 pages (2020)

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Journal Article

Kiran, N.; Perveen, S.; Sattar, F. A.; Qamar, S.: Numerical solution of nonlinear and non-isothermal general rate model of reactive liquid chromatography. Journal of Liquid Chromatography & Related Technologies 43 (5-6), pp. 139 - 155 (2020)

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Journal Article

Kirschtowski, S.; Kadar, C.; Seidel-Morgenstern, A.; Hamel, C.: Kinetic Modeling of Rhodium-Catalyzed Reductive Amination of Undecanal in Different Solvent Systems. Chemie-Ingenieur-Technik 92 (5), pp. 582 - 588 (2020)

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Journal Article

Klamt, S.; Mahadevan, R.; Kamp von, A.: Speeding up the core algorithm for the dual calculation of minimal cut sets in large metabolic networks. BMC Bioinformatics (21), 510 (2020)

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Journal Article

Kleineberg, C.; Wölfer, C.; Abbasnia, A.; Pischel, D.; Bednarz, C.; Ivanov, I.; Heitkamp, T.; Börsch, M.; Sundmacher, K.; Vidaković-Koch, T.: Light-Driven ATP Regeneration in Diblock/Grafted Hybrid Vesicles. ChemBioChem 21 (15), pp. 2149 - 2160 (2020)

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Journal Article

Kotelnikova, E.; Sadovnichii, R.; Kryuchkova, L.; Lorenz, H.: Limits of Solid Solutions and Thermal Deformations in the L-Alanine–L-Serine Amino Acid System. Crystals 10, 618 (2020)

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Journal Article

Kupke, S. Y.; Ly, L.-H.; Börno, S. T.; Ruff, A.; Timmermann, B.; Vingron, M.; Haas , S.; Reichl, U.: Single-Cell Analysis Uncovers a Vast Diversity in Intracellular Viral Defective Interfering RNA Content Affecting the Large Cell-to-Cell Heterogeneity in Influenza A Virus Replication. Viruses 12 (1), 71 (2020)

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Journal Article

Kweyu, C. M.; Feng, L.; Stein, M.; Benner, P.: Fast Solution of the Linearized Poisson-Boltzmann Equation with nonaffine Parametrized Boundary Conditions Using the Reduced Basis Method. Computing and Visualization in Science 23 (1-4), 15, 19 pages (2020)

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Journal Article

Lee, J. W.: Expanding Simulated Moving Bed Chromatography into Ternary Separations in Analogy to Dividing Wall Column Distillation. Industrial & Engineering Chemistry Research 59 (20), pp. 9619 - 9628 (2020)

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Journal Article

Lee, J. W.; Kienle, A.; Seidel-Morgenstern, A.: On-line Optimization of Four-Zone Simulated Moving Bed Chromatography using an Equilibrium-Dispersion Model: I. Simulation Study. Chemical Engineering Science 225, 115810 (2020)

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Journal Article

Lee, J. W.; Kienle, A.; Seidel-Morgenstern, A.: On-line optimization of four-zone simulated moving bed chromatography using an Equilibrium-Dispersion Model: II. Experimental validation. Chemical Engineering Science 226, 115808 (2020)

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Journal Article

Leoz, D.; A., M. L.; Duewer, D. L.; Fung, A.; Liu, L.; Yau, H. K.; Potter, O.; Staples, G. O.; Furuki, K.; Frenkel, R. et al.; Hu, Y.; Sosic, Z.; Zhang, P.; Altmann, F.; Gruber, C.; Shao, C.; Zaia, J.; Evers, W.; Pangelley, S.; Suckau, D.; Wiechmann, A.; Resemann, A.; Jabs, W.; Beck, A.; Froehlich, J. W.; Huang, C.; Li, Y.; Liu, Y.; Sun, S.; Wang, Y.; Seo, Y.; An, H. J.; Reichardt, N.-C.; Ruiz, J. E.; Archer‑Hartmann, S.; Azadi, P.; Bell, L.; Lakos, Z.; An, Y.; Cipollo, J. F.; Pučić-Baković, M.; Štambuk, J.; Lauc, G.; Li, X.; Wang, P. G.; Bock, A.; Hennig, R.; Rapp, E.; Creskey, M.; Cyr, T.; Nakano, M.; Sugiyama, T.; Leung, P. A.; Link‑Lenczowski, P.; Jaworek, J.; Yang, S. J.; Zhang, H.; Kelly, T.; Klapoetke, S.; Cao, R.; Kim, J. Y.; Lee, H. K.; Lee, J.; Yoo, J. S.; Kim, S.; Suh, S.; de Haan, N.; Falck, D.; Lageveen-Kammeijer, G. S.M.; Wuhrer, M.; Emery, R. J.; Kozak, R. P.; Liew, L. P.; Royle, L.; Urbanowicz, P. A.; Packer, N.; Song, X.; Everest-Dass, A.; Lattová, E.; Cajic, S.; Alagesan, K.; Kolarich, D.; Kasali, T.; Lindo, V.; Chen, Y.; Goswami, K.; Gau, B.; Amunugama, R.; Jones, R.; Stroop, C. J. M.; Kato, K.; Yagi, H.; Kondo, S.; Yuen, C.; Harazono, A.; Shi, X.; Magnelli, P.; Kasper, B. T.; Mahal, L. K.; Harvey, D. J.; O'Flaherty, R.; Rudd, P. M.; Saldova, R.; Hecht, E. S.; Muddiman, D. C.; Kang, J.; Bhoskar, P.; Menard, D.; Saati, A.; Merle, C.; Mast, S.; Tep, S.; Truong, J.; Nishikaze, T.; Sekiya, S.; Shafer, A.; Funaoka, S.; Toyoda, M.; de Vreugd, P.; Caron, C.; Pradhan, P.; Tan, N. C.; Mechref, Y.; Patil, S.; Rohrer, J. S.; Chakrabarti, R.; Dadke, D.; Lahori, M.; Zou, C.; Cairo, C. W.; Reiz, B.; Whittal, R. M.; Lebrilla, C.; Wu, L. D.; Guttman, A.; Szigeti, M.; Kremkow, B. G.; Lee, K.; Sihlbom, C.; Adamczyk, B.; Jin, C.; Karlsson, N. G.; Örnros, J.; Larson, G.; Nilsson, J.; Meyer, B.; Wiegandt, A.; Komatsu, E.; Perreault, H.; Bodnar, E. D.; Said, N.; Francois, Y.; Leize-Wagner, E.; Maier, S.; Zeck, A.; Heck, A. J. R.; Yang, Y.; Haselberg, R.; Yu, Y. Q.; Alley, W.; Leone, J. W.; Yuan, H.; Stein, S. E.: NIST interlaboratory study on glycosylation analysis of monoclonal antibodies: comparison of results from diverse analytical methods. Molecular and Cellular Proteomics 19 (1), pp. 11 - 30 (2020)

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Journal Article

Lieven, C.; Beber, M. E.; Olivier, B. G.; Bergmann, F. T.; Ataman, M.; Babaei, P.; Bartell, J. A.; Blank, L. M.; Chauhan, S.; Correia, K. et al.; Diener, C.; Dräger, A.; Ebert, B. E.; Edirisinghe, J. N.; Faria, J. P.; Feist, A. M.; Fengos, G.; Fleming, R. M. T.; García-Jiménez, B.; Hatzimanikatis, V.; van Helvoirt, W.; Henry, C. S.; Hermjakob, H.; Herrgård, M. J.; Kaafarani, A.; Kim, H. U.; King, Z.; Klamt, S.; Klipp, E.; Koehorst, J. J.; König, M.; Lakshmanan, M.; Lee, D.-Y.; Lee, S. Y.; Lee, S.; Lewis, N. E.; Liu, F.; Ma, H.; Machado, D.; Mahadevan, R.; Maia, P.; Mardinoglu, A.; Medlock, G. L.; Monk, J. M.; Nielsen, J.; Nielsen, L. K.; Nogales, J.; Nookaew, I.; Palsson, B. O.; Papin, J. A.; Patil, K. R.; Poolman, M.; Price, N. D.; Resendis-Antonio, O.; Richelle, A.; Rocha, I.; Sánchez, B. J.; Schaap, P. J.; Malik Sheriff, R. S.; Shoaie, S.; Sonnenschein, N.; Teusink, B.; Vilaça, P.; Vik, J. O.; Wodke, J. A. H.; Xavier, J. C.; Yuan, Q.; Zakhartsev, M.; Zhang, C.: MEMOTE for standardized genome-scale metabolic model testing. Nature Biotechnology 38, pp. 272 - 276 (2020)

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supplementary-material

Journal Article

Linke, S.; McBride, K.; Sundmacher, K.: Systematic Green Solvent Selection for the Hydroformylation of Long-Chain Alkenes. ACS Sustainable Chemistry & Engineering 8 (29), pp. 10795 - 10811 (2020)

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