Journal Article (1094)

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)
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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)
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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)
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Svitnič, T.; Sundmacher, K.: Renewable methanol production: Optimization-based design, scheduling and waste-heat utilization with the FluxMax approach. Applied Energy 326, 120017 (2022)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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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)
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Zimmermann, R. T.; Bremer, J.; Sundmacher, K.: Load-flexible fixed-bed reactors by multi-period design optimization. Chemical Engineering Journal 428, 130771 (2022)
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2021
Journal Article
Ahmad, R.; Kleineberg, C.; Nasirimarekani, V.; Su, Y.-J.; Goli Pozveh, S.; Bae, A.; Sundmacher, K.; Bodenschatz, E.; Guido, I.; Vidaković-Koch, T. et al.; Gholami, A.: Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell. ACS Synthetic Biology 10 (6), pp. 1490 - 1504 (2021)
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Ahmed, T.; Rehman, A.; Ali, A.; Qamar, S.: A high order multi-resolution WENO numerical scheme for solving viscous quantum hydrodynamic model for semiconductor devices. Results in Physics 23, 104078 (2021)
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Albis, A.; Jiménez, Y. P.; Graber, T. A.; Lorenz, H.: Reactive Crystallization Kinetics of K2SO4 from Picromerite-Based MgSO4 and KCl. Crystals 11 (12), 1558 (2021)
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Alfke, D.; Feng, L.; Lombardi, L.; Antonini, G.; Benner, P.: Model Order Reduction for Delay Systems by Iterative Interpolation. International Journal for Numerical Methods in Engineering 122 (3), pp. 684 - 706 (2021)
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Bartholomäus, A.; Kolte, B.; Mustafayeva, A.; Goebel, I.; Fuchs, S.; Benndorf, D.; Engelmann, S.; Ignatova, Z.: smORFer: a modular algorithm to detect small ORFs in prokaryotes. Nucleic Acids Research (London) 49 (15), e89 (2021)
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Bastida, F.; Jehmlich, N.; Starke, R.; Schallert, K.; Benndorf, D.; López-Mondéjar, R.; Plaza, C.; Freixino, Z.; Ramírez-Ortuño, C.; Ruiz-Navarro, A. et al.; Díaz-López, M.; Vera, A.; Moreno, J.L.; Eldridge, D.J.; García, C.; Delgado-Baquerizo, M.: Structure and function of bacterial metaproteomes across biomes. Soil Biology and Biochemistry 160, 108331 (2021)
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Bechtel, S.; Crothers, A. R.; Weber, A. Z.; Kunz, U.; Turek, T.; Vidaković-Koch, T.; Sundmacher, K.: Advances in the HCl gas-phase electrolysis employing an oxygen-depolarized cathode. Electrochimica Acta 365, 137282 (2021)
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Behr, M.; Benner, P.; Heiland, J.: Galerkin Trial Spaces and Davison-Maki Methods for the Numerical Solution of Differential Riccati Equations. Applied Mathematics and Computation 410, 126401, 28 pages (2021)
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Bekiaris, P. S.; Klamt, S.: Designing microbial communities to maximize the thermodynamic driving force for the production of chemicals. PLoS Computational Biology 17 (6), e1009093 (2021)
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Benner, P.; Dufrechou, E.; Ezzatti, P.; Gallardo, R.; Quintana-Ortí, E.: Factorized Solution of Generalized Stable Sylvester Equations Using Many-Core GPU Accelerators. Journal of Supercomputing 77, pp. 10152 - 10164 (2021)
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Benner, P.; Fassbender, H.; Saltenberger, P.: A Rational Even-IRA Algorithm for the Solution of T-even Polynomial Eigenvalue Problems. SIAM Journal on Matrix Analysis and Applications 42 (3), pp. 1172 - 1198 (2021)
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Benner, P.; Goyal, P. K.: Interpolation-Based Model Order Reduction for Polynomial Systems. SIAM Journal on Scientific Computing 43 (1), pp. A84 - A108 (2021)
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Benner, P.; Gugercin, S.; Werner, S. W. R.: Structure-Preserving Interpolation of Bilinear Control Systems. Advances in Computational Mathematics 47 (3), 43, 38 pages (2021)
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Benner, P.; Gugercin, S.; Werner, S. W. R.: Structure-Preserving Interpolation for Model Reduction of Parametric Bilinear Systems. Automatica 132, 109799, 9 pages (2021)
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Benner, P.; Khoromskaia, V.; Khoromskij, B.; Kweyu, C. M.; Stein, M.: Regularization of Poisson-Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format. SIAM Journal on Scientific Computing 43 (1), pp. A415 - A445 (2021)
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Benner, P.; Trautwein, C.: A Stochastic Maximum Principle for Control Problems Constrained by the Stochastic Navier-Stokes Equations. Applied Mathematics and Optimization 84, pp. 1001 - 1054 (2021)
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Benner, P.; Werner, S. W. R.: Frequency- and Time-Limited Balanced Truncation for Large-Scale Second-Order Systems. Linear Algebra and its Applications 623, pp. 68 - 103 (2021)
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Biemann, R.; Buß, E.; Benndorf, D.; Lehmann, T.; Schallert, K.; Püttker, S.; Reichl, U.; Isermann, B.; Schneider, J. G.; Saake, G. et al.; Heyer, R.: Fecal Metaproteomics Reveals Reduced Gut Inflammation and Changed Microbial Metabolism Following Lifestyle-Induced Weight Loss. Biomolecules 11 (5), 726 (2021)
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Bissinger, T.; Wu, Y.; Marichal-Gallardo, P.; Riedel, D.; Liu, X.; Genzel, Y.; Tan, W.; Reichl, U.: Towards integrated production of an influenza A vaccine candidate with MDCK suspension cells. Biotechnology and Bioengineering 118 (10), pp. 3996 - 4013 (2021)
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Boecker, S.; Harder, B.-J.; Kutscha, R.; Pflügl, S.; Klamt, S.: Increasing ATP turnover boosts productivity of 2,3-butanediol synthesis in Escherichia coli. Microbial Cell Factories 20, 63 (2021)
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Boecker, S.; Slaviero, G.; Schramm, T.; Szymanski, W.; Steuer , R.; Link, H.; Klamt, S.: Deciphering the physiological response of Escherichia coli under high ATP demand. Molecular Systems Biology 17, e10504 (2021)
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External
Journal Article
Boz, E.; Stein, M.: Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. International Journal of Molecular Sciences 22 (6), 3078 (2021)
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Bremer, J.; Sundmacher, K.: Novel Multiplicity and Stability Criteria for Non-Isothermal Fixed-Bed Reactors. Frontiers in Energy Research 8, 549298 (2021)
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Bukka, S. R.; Law, Y. Z.; Santo, H.; Chan, E. S.: Reduced Order Model for Nonlinear Multi-Directional Ocean Wave Propagation. Physics of Fluids 33 (11), 117115 (2021)
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Cao, X.; Benner, P.; Pontes Duff, I.; Schilders, W.: Model Order Reduction for Bilinear Control Systems with Inhomogeneous Initial Conditions. International Journal of Control 94 (10), pp. 2886 - 2895 (2021)
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Chellappa, S.; Feng, L.; Benner, P.: A Training Set Subsampling Strategy for the Reduced Basis Method. Journal of Scientific Computing 89, 63, 34 pages (2021)
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Chuzel, L.; Fossa, S. L.; Boisvert, M. L.; Cajic, S.; Hennig, R.; Ganatra, M. B.; Reichl, U.; Rapp, E.; Taron, C. H.: Combining functional metagenomics and glycoanalytics to identify enzymes that facilitate structural characterization of sulfated N-glycans. Microbial Cell Factories 20 (20), 162 (2021)
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De Falco, P.; Weinkamer, R.; Wagermaier, W.; Li, C.; Snow, T.; Terrill, N. J.; Gupta, H. S.; Goyal, P. K.; Stoll, M.; Benner, P. et al.; Fratzl, P.: Tomographic X-ray Scattering based on Invariant Reconstruction: Analysis of the 3D Nanostructure of Bovine Bone. Journal of Applied Crystallography 54 (2), pp. 486 - 497 (2021)
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Di Marco, F.; Berger, T.; Esser-Skala, W.; Rapp, E.; Regl, C.; Huber, C. G.: Simultaneous Monitoring of Monoclonal Antibody Variants by Strong Cation-Exchange Chromatography Hyphenated to Mass Spectrometry to Assess Quality Attributes of Rituximab-Based Biotherapeutics. International Journal of Molecular Sciences 22 (16), 9072 (2021)
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Duerr, R.; Duvigneau, S.; Seidel, C.; Kienle, A.; Bück, A.: Multi-rate data fusion for state and parameter estimation in (Bio-)chemical process engineering. Processes 9 (11), 1990 (2021)
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Duvigneau, S.; Dürr, R.; Behrens, J.; Kienle, A.: Advanced kinetic modeling of bio-co-polymer Poly(3-hydroxybutyrate-co-3-hydroxyvalerate) production using fructose and propionate as carbon sources. Processes 9 (8), 1260 (2021)
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Ellwood, T.; Živković, L. A.; Denissenko, P.; Abiev, R. S.; Rebrov, E. V.; Petkovska, M.: Process Intensification in Photocatalytic Decomposition of Formic Acid over a TiO2 Catalyst by Forced Periodic Modulation of Concentration, Temperature, Flowrate and Light Intensity. Processes 9 (11), 2046 (2021)
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Espinoza, S.; Linke, D.; Wulf, C.; Schimmler, S.; Schunk, S. A.; Benner, P.; Kraehnert, R.; Kragl, U.; Palkovits, R.; Palkovits, S. et al.; Oezaslan, M.; Gläser, R.; Bönisch, T.; Bohmer, N.; Resch, M.; Beller, M.; Deutschmann, O.; Bornscheuer, U.; Greiner, M.; Leitner, W.; Wagemann, K.: NFDI for Catalysis-Related Sciences: NFDI4Cat. Bausteine Forschungsdatenmanagement 2, pp. 57 - 71 (2021)
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