Publications of the Institute

Journal Article

Chen, J.; Grundel, S.; Yu, T. P. Y.: A Flexible C² Subdivision Scheme on the Sphere: With Application to Biomembrane Modelling. SIAM Journal on Applied Algebra and Geometry 1 (1), pp. 459 - 483 (2017)

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Journal Article

Curtis, F. E.; Mitchell, T.; Overton, M. L.: A BFGS-SQP Method for Nonsmooth, Nonconvex, Constrained Optimization and its Evaluation using Relative Minimization Profiles. Optimization Methods and Software 32 (1), pp. 148 - 181 (2017)

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Journal Article

Damm, T.; Benner, P.; Hauth, J.: Computing the Stochastic H^∞-Norm by a Newton Iteration. IEEE Control Systems Letters 1 (1), pp. 92 - 97 (2017)

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Journal Article

Dolgov, S.; Stoll, M.: Low-Rank Solution to an Optimization Problem Constrained by the Navier-Stokes Equations. SIAM Journal on Scientific Computing 39 (1), pp. A255 - A280 (2017)

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Journal Article

Dürr, R.; Mueller, T.; Duvigneau, S.; Kienle, A.: An efficient approximate moment method for multi-dimensional population balance models - Application to virus replication in multi-cellular systems. Chemical Engineering Science 160, pp. 321 - 334 (2017)

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Journal Article

Eaton, J.; Grundel, S.; Gürbüzbalaban, M.; Overton, M. L.: Polynomial Root Radius Optimization with Affine Constraints. Mathematical Programming / A 165 (2), pp. 509 - 528 (2017)

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Journal Article

Edler, E.; Schulze, E.; Stein, M.: Membrane localization and dynamics of geranylgeranylated Rab5 hypervariable region. Biochimica et Biophysica Acta (BBA) - Biomembranes 1859 (8), pp. 1335 - 1349 (2017)

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supplementary-material

Journal Article

Edler, E.; Stein, M.: Probing the druggability of membrane-bound Rab5 by molecular dynamics simulations. Journal of Enzyme Inhibition and Medicinal Chemistry 32 (1), pp. 434 - 443 (2017)

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Journal Article

Eisenschmidt, H.; Soumaya, M.; Bajcinca, N.; Le Borne, S.; Sundmacher, K.: Estimation of aggregation kernels based on Laurent polynomial approximation. Computers and Chemical Engineering 103, pp. 210 - 217 (2017)

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Journal Article

El-Sibai, A.; Rihko-Struckmann, L.; Sundmacher, K.: Model-based Optimal Sabatier Reactor Design for Power-to-Gas Applications. Energy Technology 5 (6), pp. 911 - 921 (2017)

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supplementary-material

Journal Article

Fachet, M.; Flassig, R.; Rihko-Struckmann, L.; Sundmacher, K.: Carotenoid Production Process Using Green Microalgae of the Dunaliella Genus: Model-Based Analysis of Interspecies Variability. Industrial and Engineering Chemistry Research 56 (45), pp. 12888 - 12898 (2017)

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Journal Article

Fechtner, M.; Kienle, A.: Efficient simulation and equilibrium theory for adsorption processes with implicit adsorption isotherms – Mass action equilibria. Chemical Engineering Science 171, pp. 471 - 480 (2017)

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Journal Article

Feng, L.; Antoulas, A. C.; Benner, P.: Some a Posteriori Error Bounds for Reduced-Order Modelling of (Non-) Parametrized Linear Systems. ESAIM: Mathematical Modelling and Numerical Analysis 51 (6), pp. 2127 - 2158 (2017)

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Journal Article

Feng, L.; Mangold, M.; Benner, P.: Adaptive POD–DEIM Basis Construction and its Application to a Nonlinear Population Balance System. AIChE Journal 63 (9), pp. 3832 - 3844 (2017)

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Journal Article

Gaide, T.; Jörke, A.; Schlipköter, K. E.; Hamel, C.; Seidel-Morgenstern, A.; Behr, A.; Vorholt, A. J.: Isomerization/hydroformylation tandem reaction of a decene isomeric mixture with subsequent catalyst recycling in thermomorphic solvent systems. Applied Catalysis A: General 532, pp. 50 - 56 (2017)

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Journal Article

Gerlach, M.; Abdul Wajid, D.; Hilfert, L.; Edelmann, F. T.; Seidel-Morgenstern, A.; Hamel, C.: Impact of minor amounts of hydroperoxides on rhodium-catalyzed hydroformylation of long-chain olefins. Catalysis Science & Technology 2017 (7), pp. 1465 - 1469 (2017)

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Journal Article

Geyyer, R.; Duerr, R.; Temmel, E.; Li, T.; Lorenz, H.; Palis, S.; Seidel-Morgenstern, A.; Kienle, A.: Control of Continuous Mixed-Solution Mixed-Product Removal Crystallization Processes. Chemical Engineering and Technology 40 (7), pp. 1362 - 1369 (2017)

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Journal Article

Grushkovskaya , V. V.; Zuyev, A.: Two-Point Problem for Systems Satisfying the Controllability Condition with Lie Brackets of the Second Order. Journal of Mathematical Sciences 220 (3), pp. 301 - 317 (2017)

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Journal Article

Guglielmi, N.; Gürbüzbalaban, M.; Mitchell, T.; Overton, M. L.: Approximating the Real Structured Stability Radius with Frobenius Norm Bounded Perturbations. SIAM Journal on Matrix Analysis and Applications 38 (4), pp. 1323 - 1353 (2017)

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Journal Article

Hädicke, O.; Klamt, S.: EColiCore2: a reference model of the central metabolism of Escherichia coli and the relationships to its genome-scale parent model. Scientific Reports 7, 39647 (2017)

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Journal Article

Hämmerling, F.; Pieler, M.; Hennig, R.; Serve, A.; Rapp, E.; Wolff, M. W.; Reichl, U.; Hubbuch, J.: Influence of the production system on the surface properties of influenza A virus particles. Engineering in Life Sciences 17 (10), pp. 1071 - 1077 (2017)

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Journal Article

Heyer, R.; Schallert, K.; Zoun, R.; Becher, B.; Saake, G.; Benndorf, D.: Challenges and perspectives of metaproteomic data analysis. Journal of Biotechnology 261, pp. 24 - 36 (2017)

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Journal Article

Hofmann, S.; Bajcinca, N.; Raisch, J.; Sundmacher, K.: Optimal control of univariate and multivariate population balance systems involving external fines removal. Chemical Engineering Science 168, pp. 101 - 123 (2017)

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Journal Article

Horosanskaia, E.; Nguyen, T. M.; Vu, T. D.; Seidel-Morgenstern, A.; Lorenz, H.: Crystallization-Based Isolation of Pure Rutin from Herbal Extract of Sophora japonica L. Organic Process Research & Development 21 (11), pp. 1769 - 1778 (2017)

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Journal Article

Janiga, G.; Stucht, D.; Bordás, R.; Temmel, E.; Seidel-Morgenstern, A.; Thévenin, D.; Speck, O.: Noninvasive 4D Flow Characterization in a Stirred Tank via Phase-Contrast Magnetic Resonance Imaging. Chemical Engineering and Technology 40 (7), pp. 1370 - 1377 (2017)

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Journal Article

Jokiel, M.; Wagner, L.-M.; Mansour, M.; Kaiser, N. M.; Zähringer, K.; Janiga, G.; Nigam, K. D.P.; Thevenin, D.; Sundmacher, K.: Measurement and Simulation of Mass Transfer and Backmixing Behavior in a Gas-Liquid Helically Coiled Tubular Reactor. Chemical Engineering Science 170, pp. 410 - 421 (2017)

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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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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