Publications of the Institute

Journal Article

Jameel, F.; Stein, M.: Chemical accuracy for ligand-receptor binding Gibbs energies through multi-level SQM/QM calculations. Physical Chemistry Chemical Physics 26, pp. 21197 - 21203 (2024)

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Kalosha, J.; Yevgenieva, Y.; Zuyev, A.: Partial Stabilization of an Orbiting Satellite Model with a Flexible Attachment. Journal of Mathematical Sciences (accepted)

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Kapadia, H.; Feng, L.; Benner, P.: Active-Learning-Driven Surrogate Modeling for Efficient Simulation of Parametric Nonlinear Systems. Computer Methods in Applied Mechanics and Engineering 419, 116657 (2024)

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Karsten, C. B.; Buettner, F. F. R.; Cajic, S.; Nehlmeier, I.; Roshani, B.; Klippert, A.; Sauermann, U.; Stolte-Leeb, N.; Reichl, U.; Gerardy-Schahn, R. et al.; Rapp, E.; Stahl-Hennig, C.; Pöhlmann, S.: Macrophage- and CD4+ T cell-derived SIV differ in glycosylation, infectivity and neutralization sensitivity. PLOS Pathogens 20 (5), e1012190 (2024)

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Khesali Aghtaei, H.; Heyer, R.; Reichl, U.; Benndorf, D.: Improved biological methanation using tubular foam-bed reactor. Biotechnology for Biofuels and Bioproducts 17, 66 (2024)

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König-Mattern, L.; Sanchez Medina, E. I.; Komarova, A. O.; Linke, S.; Rihko-Struckmann, L.; Luterbacher, J. S.; Sundmacher, K.: Machine learning-supported solvent design for lignin-first biorefineries and lignin upgrading. Chemical Engineering Journal 495, 153524 (2024)

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Journal Article

Kutscha, R.; Tomin, T.; Birner-Gruenberger, R.; Bekiaris, P. S.; Klamt, S.; Pflügl, S.: Efficiency of acetate-based isopropanol synthesis in Escherichia coli W is controlled by ATP demand. Biotechnology for Biofuels and Bioproducts 17, 110 (2024)

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Journal Article

Lee, J. W.; Zarei, S.; Kienle, A.; Seidel-Morgenstern, A.: Short-Cut Design of Double-Layer Simulated Moving Bed Chromatography for Continuous Ternary Mixture Separation: Langmuir Isotherms. Industrial & Engineering Chemistry Research 63 (39), pp. 16873 - 16884 (2024)

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Journal Article

Leipold, J.; Jung, M.; Keßler, T.; Kienle, A.: Nonlinear Behavior of Methanol Synthesis Compared to CO2 Methanation. Chemical Engineering and Technology 47 (3), pp. 531 - 536 (2024)

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Journal Article

Liljegren-Sailer, B.; Gosea, I. V.: Data-Driven and Low-Rank Implementations of Balanced Singular Perturbation Approximation. SIAM Journal on Scientific Computing 46 (1), pp. A483 - A507 (2024)

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Journal Article

Lund, K.; Palitta, D.: Low-rank-modified Galerkin Methods for the Lyapunov Equation. Electronic Transactions on Numerical Analysis 62, pp. 1 - 21 (2024)

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Journal Article

Matthies, E.; Beer, K.; Böcher, M.; Sundmacher, K.; König-Mattern, L.; Arlinghaus, J.; Blöbaum, A.; Jaeger-Erben, M.; Schmidt, K.: Framework conditions for the transformation toward a sustainable carbon-based chemical industry – A critical review of existing and potential contributions from the social sciences. Journal of Cleaner Production 470, 143279 (2024)

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Journal Article

Miličić, T.; Muthunayakage, K.; Vũ, T. H.; Ritschel, T. K.S.; Živković, L. A.; Vidaković-Koch, T.: The nonlinear frequency response method for the diagnosis of PEM water electrolyzer performance. Chemical Engineering Journal 496, 153889 (2024)

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Journal Article

Mutavdžin, I.; Seidel-Morgenstern, A.: Estimating the parameters of competitive Langmuir adsorption isotherms from measured responses to rectangular pulse injections exploiting equilibrium theory. Adsorption 30, pp. 337 - 349 (2024)

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Journal Article

Offersgaard, A.; Duarte Hernandez, C. R.; Zhou, Y.; Duan, Z.; Gammeltoft, K. A.; Hartmann, K. T.; Fahnøe, U.; Marichal-Gallardo, P.; Alzua, G. P.; Underwood, A. P. et al.; Sølund, C.; Weis, N.; Bonde, J. H.; Christensen, J. P.; Pedersen, G. K.; Jensen, H. E.; Holmbeck, K.; Bukh, J.; Gottwein, J. M.: An inactivated SARS-CoV-2 vaccine based on a Vero cell culture-adapted high-titer virus confers cross-protection in small animals. Scientific Reports 14 (1), 17039 (2024)

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Journal Article

Otrin, N.; Otrin, L.; Bednarz, C.; Träger, T. K.; Hamdi, F.; Kastritis, P. L.; Ivanov, I.; Sundmacher, K.: Protein-Rich Rafts in Hybrid Polymer/Lipid Giant Unilamellar Vesicles. Biomacromolecules 25 (2), pp. 778 - 791 (2024)

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Journal Article

Otto, E.; Ajalova, A.; Bück, A.; Tsotsas, E.; Kienle, A.: Population Balance Modeling of Particle Size and Porosity in Fluidized Bed Spray Agglomeration. Industrial and Engineering Chemistry Research 61 (41), pp. 17545 - 17556 (2024)

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Journal Article

Özkiliç, Y.; Stein, M.: Modelling the elusive conformational activation in kynurenine 3-monooxygenase. Organic & Biomolecular Chemistry 22, pp. 6550 - 6560 (2024)

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Journal Article

Pelz, L.; Dogra, T.; Marichal-Gallardo, P.; Hein, M. D.; Hemissi, G.; Kupke, S. Y.; Genzel, Y.; Reichl, U.: Production of antiviral “OP7 chimera” defective interfering particles free of infectious virus. Applied Microbiology and Biotechnology 108, 97 (2024)

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Journal Article

Peterson, L.; Bremer, J.; Sundmacher, K.: Challenges in data-based reactor modeling: A critical analysis of purely data-driven and hybrid models for a CSTR case study. Computers & Chemical Engineering 184, 108643 (2024)

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Journal Article

Philipp, F.; Schaller, M.; Worthmann, K.; Peitz, S.; Nüske, F.: Error bounds for kernel-based approximations of the Koopman operator. Applied and Computational Harmonic Analysis 71, 101657 (2024)

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Journal Article

Plate, C.; Sager, S.; Stoll , M.; Teschke, M.: Second-Order Partial Outer Convexification for Switched Dynamical Systems. IEEE Transactions on Automatic Control 69 (7), pp. 4643 - 4656 (2024)

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Journal Article

Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Effect of feed concentration in solvent/anti-solvent precipitation fractionation of lignin: Impact on lignins structure-property correlations. Separation and Purification Technology 337, 126343 (2024)

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Journal Article

Ponnudurai, A.; Schulze, P.; Seidel-Morgenstern, A.; Lorenz, H.: Corrigendum to “Effect of feed concentration in solvent/anti-solvent precipitation fractionation of lignin: Impact on lignins structure-property correlations” [Sep. Purif. Technol. 337 (2024) 126343]. Separation and Purification Technology 345, 128114 (2024)

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Journal Article

Przybilla, J.; Pontes Duff, I.; Benner, P.: Model Reduction for Second-Order Systems with Inhomogeneous Initial Conditions. Systems & Control Letters 183, 105671 (2024)

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Journal Article

Przybilla, J.; Pontes Duff, I.; Benner, P.: Semi-Active Damping Optimization of Vibrational Systems using the Reduced Basis Method. Advances in Computational Mathematics 50 (3), 56 (2024)

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Journal Article

Przybilla, J.; Voigt, M.: Model Reduction of Parametric Differential-Algebraic Systems by Balanced Truncation. Mathematical and Computer Modelling of Dynamical Systems 30 (1), pp. 303 - 341 (2024)

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Journal Article

Raabe, J.-C.; Jameel, F.; Stein, M.; Albert, J.; Poller, M. J.: Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formation. Dalton Transactions 53, pp. 454 - 466 (2024)

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Journal Article

Riedel, R.; Commichau, F. M.; Benndorf, D.; Hertel, R.; Holzer, K.; Hoelzle, L. E.; Mardoukhi, M. S. Y.; Noack, L. E.; Martienssen, M.: Biodegradation of selected aminophosphonates by the bacterial isolate Ochrobactrum sp. BTU1. Microbiological Research 280, 127600 (2024)

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Journal Article

Riedel, R.; Meißner, K.; Kaschubowski, A.; Benndorf, D.; Martienssen, M.; Braun, B.: Laundry Isolate Delftia sp. UBM14 Capable of Biodegrading Industrially Relevant Aminophosphonates. Microorganisms 12 (8), 1664 (2024)

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Journal Article

Rüdiger, D.; Piasecka, J.; Küchler, J.; Pontes, C.; Laske, T.; Kupke, S. Y.; Reichl, U.: Mathematical model calibrated to in vitro data predicts mechanisms of antiviral action of the influenza defective interfering particle “OP7”. iScience 27 (4), 109421 (2024)

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Journal Article

Saak, J.; Werner, S. W. R.: Using LDL^T Factorizations in Newton's Method for Solving General Large-Scale Algebraic Riccati Equations. Electronic Transactions on Numerical Analysis 62, pp. 95 - 118 (2024)

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Journal Article

Sarna, N.; Giesselmann, J.; Benner, P.: Data-Driven Snapshot Calibration via Monotonic Feature Matching. Finite Elements in Analysis & Design 230, 104065 (2024)

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Journal Article

Savchenko, M.; Skrypnik, I.; Yevgenieva, Y.: On the weak Harnack inequality for unbounded non-negative super-solutions of degenerate double-phase parabolic equations. Journal of Mathematical Analysis and Applications 537 (2), 128331 (2024)

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Journal Article

Schultheis, A.; Tenberg, V.; Rihko-Struckmann, L.; Sundmacher, K.; Lorenz, H.: Crystallization‐Based Separation of ε‐Caprolactam from a Depolymerization Reaction Mixture – Fundamentals and Potential Separation Strategies. Chemie Ingenieur Technik 96 (12), pp. 1620 - 1631 (2024)

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Journal Article

Schulz-Mirbach, H.; Krüsemann, J. L.; Andreadaki, T.; Nerlich, J. N.; Mavrothalassiti, E.; Boecker, S.; Schneider, P.; Weresow, M.; Abdelwahab, O.; Paczia, N. et al.; Dronsella, B.; Erb, T. J.; Bar-Even, A.; Klamt, S.; Lindner, S. N.: Engineering new-to-nature biochemical conversions by combining fermentative metabolism with respiratory modules. Nature Communications 15 (1), 6725 (2024)

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Journal Article

Skrypnik, I.; Yevgenieva, Y.: Harnack Inequality for Solutions of the p(x)-Laplace Equation under the precise Non-Logarithmic Zhikov's Conditions. Calculus of variations and partial differential equations 63 (1), 7 (2024)

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Journal Article

Sorrentino, A.; Sundmacher, K.; Vidaković-Koch, T.: Assessment of frequency response techniques in diagnosing polymer electrolyte membrane fuel cells. iScience 27, 110254 (2024)

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Journal Article

Svitnič, T.; Beer, K.; Sundmacher, K.; Böcher, M.: Optimal design of a sector-coupled renewable methanol production amid political goals and expected conflicts: Costs vs. land use. Sustainable Production and Consumption 44, pp. 123 - 150 (2024)

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Journal Article

Svitnic, T.; Sundmacher, K.: Identifying standard and simple designs of Power-to-Methanol processes: The costs of complexity reduction. Energy Conversion and Management 307, 118325 (2024)

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Journal Article

Tan, Q.; Hosseini, S.A.; Seidel-Morgenstern, A.; Thévenin, D.; Lorenz, H.: Thermal effects connected to crystallization dynamics: A lattice Boltzmann study. International Journal of Multiphase Flow 171, 104669 (2024)

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Journal Article

Tenberg, V.; Sadeghi, M.; Schultheis, A.; Joshi, M.; Stein, M.; Lorenz, H.: Aqueous solution and solid-state behaviour ofl-homophenylalanine: experiment, modelling, and DFT calculations. RSC Advances 14, pp. 10580 - 10589 (2024)

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Journal Article

Tenberg, V.; Schultheis, A.; Seidel-Morgenstern, A.; Lorenz, H.; Sadeghi, M.: Solid Phase Miscibility and Polymorph Stabilization in the Aqueousl-Asp/l-Glu System. Crystal Growth & Design 24, pp. 9146 - 9153 (2024)

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Journal Article

Varničić, M.; Fellinger, T.-P.; Titirici, M.-M.; Sundmacher, K.; Vidaković-Koch, T.: Rational Design of Enzymatic Electrodes: Impact of Carbon Nanomaterial Types on the Electrode Performance. Molecules 29 (10), 2324 (2024)

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Journal Article

Vhora, K.; Janiga, G.; Lorenz, H.; Seidel-Morgenstern, A.; Gutiérrez Sanchez, F. M.; Schulze, P.: Comparative Study of Droplet Diameter Distribution: Insights from Experimental Imaging and Computational Fluid Dynamics Simulations. Applied Sciences 14 (5), 1824 (2024)

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Journal Article

Vhora, K.; Thévenin, D.; Janiga, G.; Sundmacher, K.: CFD Analysis of the Flow in Schwarz‐D TPMS Structures for Engineering Applications. Chemie Ingenieur Technik 96, pp. 1683 - 1696 (2024)

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Journal Article

Weinhold, H.; Peterson, L.; Müller, T. D.; Wekenborg, K.; Grünewald, M.; Rarey, J.: Improving the Accuracy of Activity Coefficient Estimation in Specialty Chemistry Using Local Estimators. Industrial & Engineering Chemistry Research 63, pp. 7902 - 7914 (2024)

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Journal Article

Wolf, J. B.; Lee, J. W.; Plutschack, M. B.; Cambié, D.; Seidel-Morgenstern, A.; Seeberger, P. H.: Continuous flow synthesis of the ionizable lipid ALC-0315. Reaction Chemistry & Engineering 9 (4), pp. 959 - 966 (2024)

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Journal Article

Woodall, C. M.; Vaz Gomes, K.; Voigt, A.; Sundmacher, K.; Wilcox, J.: Tuning acid extraction of magnesium and calcium from platinum group metal tailings for CO2conversion and storage. RSC Sustainability 2 (11), pp. 3320 - 3333 (2024)

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