Publications of the Institute | Max Planck Institute for Dynamics of Complex Technical Systems

Max Planck Institute for Dynamics of Complex Technical Systems

Journal Article (120)

2017

Journal Article

Jörke, A.; Gaide, T.; Behr, A.; Vorholt, A.; Seidel-Morgenstern, A.; Hamel, C.: Hydroformylation and tandem isomerization–hydroformylation of n-decenes using a rhodium-BiPhePhos catalyst: Kinetic modeling, reaction network analysis and optimal reaction control. Chemical Engineering Journal 313, pp. 382 - 397 (2017)

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Jörke, A.; Seidel-Morgenstern, A.; Hamel, C.: Rhodium-BiPhePhos catalyzed hydroformylation studied by operando FTIR spectroscopy: Catalyst activation and rate determining step. Journal of Molecular Catalysis A 426 (Part A), pp. 10 - 14 (2017)

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Kaiser , N. M.; Jokiel, M.; McBride, K.; Flassig, R.; Sundmacher, K.: Optimal Reactor Design via Flux Profile Analysis for an Integrated Hydroformylation Process. Industrial and Engineering Chemistry Research 56 (40), pp. 11507 - 11518 (2017)

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Kamp von, A.; Klamt, S.: Growth-coupled overproduction is feasible for almost all metabolites in five major production organisms. Nature Communications 8, 15926 (2017)

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Kamp von, A.; Thiele, S.; Hädicke, O.; Klamt, S.: Use of CellNetAnalyzer in biotechnology and metabolic engineering. Journal of Biotechnology 261, pp. 221 - 228 (2017)

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Kerst, K.; Roloff, C.; Medeiros de Souza, L. G.; Bartz, A.; Seidel-Morgenstern, A.; Thévenin, D.; Janiga, G.: CFD-DEM simulations of a fluidized bed crystallizer. Chemical Engineering Science 165, pp. 1 - 13 (2017)

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Keßler, T.; Logist, F.; Mangold, M.: Bi-objective optimization of dynamic systems by continuation methods. Computers and Chemical Engineering 98, pp. 89 - 99 (2017)

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Khan, F. U.; Qamar, S.: Two-Dimensional Model for Reactive-Sorption Columns of Cylindrical Geometry: Analytical Solutions and Moment Analysis. Journal of Chromatographic Science 55 (5), pp. 536 - 549 (2017)

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Khlopov, D.; Mangold, M.: Automatic model reduction of differential algebraic systems by proper orthogonal decomposition. Computers and Chemical Engineering 97, pp. 104 - 113 (2017)

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Khoromskaia, V.; Khoromskij, B. N.: Block Circulant and Toeplitz Structures in the Linearized Hartree–Fock Equation on Finite Lattices: Tensor Approach. Computational Methods in Applied Mathematics 17 (3), pp. 431 - 455 (2017)

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Kim, K.-M.; Lee, J. W.; Kim, S.; Santos da Silva, F.; Seidel-Morgenstern, A.; Lee, C.-H.: Advanced Operating Strategies to Extend the Applications of Simulated Moving Bed Chromatography. Chemical Engineering and Technology 40 (12), pp. 2163 - 2178 (2017)

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Klamt, S.; Regensburger, G.; Gerstl, P.M.; Jungreuthmayer, C.; Schuster, S.; Mahadevan, R.; Zanghellini, J.; Müller, S.: From elementary flux modes to elementary flux vectors: Metabolic pathway analysis with arbitrary linear flux constraints. PLoS Computational Biology 13 (4), e1005409 (2017)

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Kohls, E.; Stein, M.: Vibrational scaling factors for RH(I) carbonyl compounds in homogeneous cataylsis. Contributions: MASA, Section of Natural, Mathematical & Biotechnical Sciences 38 (1), pp. 43 - 56 (2017)

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Kohls, E.; Stein, M.: The thermochemistry of long chain olefin isomers during hydroformylation. New Journal of Chemistry 41 (15), pp. 7347 - 7355 (2017)

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Kohrs, F.; Heyer, R.; Bissinger, T.; Kottler, R.; Schallert, K.; Püttker, S.; Behne, A.; Rapp, E.; Benndorf, D.; Reichl, U.: Proteotyping of laboratory-scale biogas plants reveals multiple steady-states in community composition. Anaerobe 46, pp. 56 - 68 (2017)

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Konze, S. A.; Cajic, S.; Oberbeck, A.; Hennig, R.; Pich, A.; Rapp, E.; Buettner, F. F. R.: Quantitative Assessment of Sialo-Glycoproteins and N-Glycans during Cardiomyogenic Differentiation of Human Induced Pluripotent Stem Cells. ChemBioChem: A European Journal of Chemical Biology 18 (13), pp. 1317 - 1331 (2017)

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Kort, A.-K.; Lorenz, H.; Seidel-Morgenstern, A.: Melting Behavior and Solubility Equilibria of (R)- and (S)-Mefenpyr-diethyl in Ethanol/Water Mixtures. Journal of Chemical and Engineering Data 60 (12), pp. 4411 - 4418 (2017)

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Kotelnikova, E. N.; Isakov, A. I.; Lorenz, H.: Non-equimolar discrete compounds in binary chiral systems of organic substances. CrystEngComm 19 (14), pp. 1851 - 1869 (2017)

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Kovačević, T.; Wiedmeyer, V.; Schock, J.; Voigt, A.; Pfeiffer, F.; Sundmacher, K.; Briesen, H.: Disorientation angle distribution of primary particles in potash alum aggregates. Journal of Crystal Growth 467, pp. 93 - 106 (2017)

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Lemberg, M.; Sadowski, G.; Gerlach, M.; Kohls, E.; Stein, M.; Hamel, C.; Seidel-Morgenstern, A.: Predicting Solvent Effects on the 1-dodecene Hydroformylation Reaction Equilibrium. AIChE-Journal 63 (10), pp. 4576 - 4585 (2017)

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Li, T.; Lorenz, H.; Seidel-Morgenstern, A.: Solubility Study and Thermal Stability Analysis of Calcium Propionate. Chemical Engineering and Technology 40 (7), pp. 1221 - 1230 (2017)

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Liu, Y.; McBride, R.; Stoll, M.; Palma, A. S.; Silva, L.; Agravat, S.; Aoki-Kinoshita, K. F.; Campbell, M. P.; Costello, C. E.; Dell, A. et al.; Haslam, S. M.; Karlsson, N. G.; Khoo, K.-H.; Kolarich, D.; Novotny, M. V.; Packer, N. H.; Ranzinger, R.; Rapp, E.; Rudd, P. M.; Struwe, W. B.; Tiemeyer, M.; Wells, L.; York, W. S.; Zaia, J.; Kettner, C.; Paulson, J. C.; Feizi, T.; Smith, D. F.: The minimum information required for a glycomics experiment (MIRAGE) project: improving the standards for reporting glycan microarray-based data. Glycobiology 27 (4), pp. 280 - 284 (2017)

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Mangold, M.; Khlopov, D.; Temmel, E.; Lorenz, H.; Seidel-Morgenstern, A.: Modelling Geometrical and Fluid-Dynamic Aspects of a Continuous Fluidized Bed Crystallizer for Separation of Enantiomers. Chemical Engineering Science 160, pp. 281 - 290 (2017)

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Mansour, M.; Liu, Z.; Janiga, G.; Nigam, K. D.P.; Sundmacher, K.; Thévenin, D.; Zähringer, K.: Numerical study of liquid-liquid mixing in helical pipes. Chemical Engineering Science (172), pp. 250 - 261 (2017)

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Marichal-Gallardo, P.; Pieler, M.; Wolff, M. W.; Reichl, U.: Steric exclusion chromatography for purification of cell culture-derived influenza A virus using regenerated cellulose membranes and polyethylene glycol. Journal of Chromatography A 1483 (3), pp. 110 - 119 (2017)

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McBride, K.; Kaiser, N. M.; Sundmacher, K.: Integrated Reaction-Extraction Process for the Hydroformylation of Long-Chain Alkenes with a Homogeneous Catalyst. Computers and Chemical Engineering 105, pp. 212 - 223 (2017)

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Natarajan, M.; Faujdar, H.; Mobin, S. M.; Stein, M.; Kaur-Ghumaan, S.: A mononuclear iron carbonyl complex [Fe(μ-bdt)(CO)₂(PTA)₂] with bulky phosphine ligands: a model for the [FeFe] hydrogenase enzyme active site with an inverted redox potential. Dalton Transactions 46 (30), pp. 10050 - 10056 (2017)

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Neugebauer, C.; Palis, S.; Bueck, A.; Tsotsas, E.; Heinrich, S.; Kienle, A.: A dynamic two-zone model of continuous fluidized bed layering granulation with internal product classification. Particuology 31, pp. 8 - 14 (2017)

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Otrin, L.; Marušič, N.; Bednarz, C.; Vidaković-Koch, T.; Lieberwirth, I.; Landfester, K.; Sundmacher, K.: Toward Artificial Mitochondrion: Mimicking Oxidative Phosphorylation in Polymer and Hybrid Membranes. Nano Letters 17 (11), pp. 6816 - 6821 (2017)

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Peña Arias, I.; Hanke-Rauschenbach, R.; Sundmacher, K.: Influence of the autonomous oscillations and the CO concentration on the performance of an ECPrOx reactor. Electrochimica Acta 251, pp. 602 - 612 (2017)

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Peña Arias, I.; Trinke, P.; Hanke-Rauschenbach, R.; Sundmacher, K.: Understanding PEM fuel cell dynamics: The reversal curve. International Journal of Hydrogen Energy 42 (24), pp. 15818 - 15827 (2017)

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Petrenko, A.; Stein, M.: Distal [FeS]-Cluster Coordination in [NiFe]-Hydrogenase Facilitates Intermolecular Electron Transfer. International Journal of Molecular Sciences 18 (1), 100 (2017)

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Pieler, M.; Heyse, A.; Wolff, M. W.; Reichl, U.: Specific ion effects on the particle size distributions of cell culture–derived influenza A virus particles within the Hofmeister series. Engineering in Life Sciences 17 (5), pp. 470 - 478 (2017)

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Pischel, D.; Sundmacher, K.; Flassig, R.: Efficient simulation of intrinsic, extrinsic and external noise in biochemical systems. Bioinformatics 33 (14), pp. i319 - i324 (2017)

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Porcelli, M.; Simoncini, V.; Stoll, M.: Preconditioning PDE-constrained optimization with L¹-sparsity and control constraints. Computers & Mathematics with Applications 74 (5), pp. 1059 - 1075 (2017)

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Pralow, A.; Hoffmann, M.; Nguyen-Khuong, T.; Rapp, E.; Reichl, U.: Improvement of the glycoproteomic toolbox with the discovery of a unique C-terminal cleavage specificity of flavastacin for N-glycosylated asparagine. Scientific Reports 7, 11419 (2017)

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Prigent, S.; Frioux, C.; Dittami, S. M.; Thiele, S.; Larhlimi, A.; Collet, G.; Gutknecht, F.; Got, J.; Eveillard, D.; Bourdon, J. et al.; Plewniak, F.; Tonon, T.; Siegel, A.: Meneco, a Topology-Based Gap-Filling Tool Applicable to Degraded Genome-Wide Metabolic Networks. PLoS Computational Biology 13, e1005276 (2017)

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Qamar, S.; Bashir, S.; Perveen, S.; Seidel-Morgenstern, A.: Analysis of Linear General Rate Model of Reactive Chromatography for Core−Shell Adsorbents. Industrial and Engineering Chemistry Research 56 (34), pp. 9657 - 9678 (2017)

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Qamar, S.; Bibi, S.; Akram, N.; Seidel-Morgenstern, A.: Analysis of Two-Component Non-Equilibrium Model of Linear Reactive Chromatography. Chromatographia 80 (3), pp. 383 - 400 (2017)

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Qamar, S.; Sattar, F. A.; Batool, I.; Seidel-Morgenstern, A.: Theoretical analysis of the influence of forced and inherent temperature fluctuations in an adiabatic chromatographic column. Chemical Engineering Science 161, pp. 249 - 264 (2017)

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Qamar, S.; Uche, D. U.; Khan, F. U.; Seidel-Morgenstern, A.: Analysis of linear two-dimensional general rate model for chromatographic columns of cylindrical geometry. Journal of Chromatography A 1496, pp. 92 - 104 (2017)

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Redmann, M.; Benner, P.: An H₂-Type Error Bound for Balancing-Related Model Order Reduction of Linear Systems with Lévy Noise. Systems & Control Letters 105, pp. 1 - 5 (2017)

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Rekis, T.; Be̅rziņš, A.; Orola, L.; Holczbauer, T.; Actiņš, A.; Seidel-Morgenstern, A.; Lorenz, H.: Single Enantiomer’s Urge to Crystallize in Centrosymmetric Space Groups: Solid Solutions of Phenylpiracetam. Crystal Growth & Design 17 (3), pp. 1411 - 1418 (2017)

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Ricken, B.; Kolvenbach, B. A.; Bergesch, C.; Benndorf, D.; Kroll, K.; Strnad, H.; Vlcek, C.; Adaixo, R.; Hammes, F.; Shahgaldian, P. et al.; Schäffer, A.; Kohler, H.-P. E.; Corvini , P. F.-X.: FMNH2-dependent monooxygenases initiate catabolism of sulfonamides in Microbacterium sp. strain BR1 subsisting on sulfonamide antibiotics. Scientific Reports 7, 15783 (2017)

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Rihko-Struckmann, L.; Molnar, M.; Pirwitz, K.; Fachet, M.; McBride, K.; Zinser, A.; Sundmacher, K.: Recovery and Separation of Carbohydrate Derivatives from the Lipid Extracted Alga Dunaliella by Mild Liquefaction. ACS Sustainable Chemistry & Engineering 5 (1), pp. 588 - 595 (2017)

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Salmas, R. E.; Seeman, P.; Aksoydan, B.; Erol, I.; Kantarcioglu, I.; Stein, M.; Yurtsever, M.; Durdagi, S.: Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking. ACS Chemical Neuroscience 8 (6), pp. 1404 - 1415 (2017)

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Salmas, R. E.; Seeman, P.; Aksoydan, B.; Stein, M.; Yurtsever, M.; Durdagi, S.: Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of Dopamine D2 Receptor. ACS Chemical Neuroscience 8 (4), pp. 826 - 836 (2017)

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Salmas, R. E.; Stein, M.; Yurtsever, M.; Seeman, P.; Erol, I.; Mestanoglu, M.; Durdagi, S.: The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands. Journal of Biomolecular Structure and Dynamics 35 (9), pp. 2040 - 2048 (2017)

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Schiffer, J.; Hans, C. A.; Kral, T.; Ortega, R.; Raisch, J.: Modeling, Analysis and Experimental Validation of Clock Drift Effects in Low-Inertia Power Systems. IEEE Transactions on Industrial Electronics 64 (7), pp. 5942 - 5951 (2017)

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Seel, T.; Schauer, T.; Raisch, J.: Monotonic Convergence of Iterative Learning Control Systems with Variable Pass Length. International Journal of Control 90 (3), pp. 393 - 406 (2017)

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