Publications of the Institute

Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

Chen, G.; Song, Z.; Qi, Z.: Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC. Chemical Engineering Science 246, 117002 (2021)

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Journal Article

Chen, G.; Song, Z.; Qi, Z.; Sundmacher, K.: Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems. AIChE Journal 67 (4), e17171 (2021)

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Journal Article

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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Journal Article

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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Journal Article

De Vrieze, J.; Heyer, R.; Props, R.; Van Meulebroek, L.; Gille, K.; Vanhaecke, L.; Benndorf, D.; Boon, N.: Triangulation of microbial fingerprinting in anaerobic digestion reveals consistent fingerprinting profiles. Water Research 202 (1), 117422 (2021)

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Journal Article

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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Journal Article

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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Journal Article

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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Journal Article

Duvigneau, S.; Kettner, A.; Carius, L.; Griehl, C.; Findeisen, R.; Kienle, A.: Fast, inexpensive, and reliable HPLC method to determine monomer fractions in poly(3-hydroxybutyrate-co-3-hydroxyvalerate). Applied Microbiology and Biotechnology 105, pp. 4743 - 4749 (2021)

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Journal Article

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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Journal Article

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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Journal Article

Eussen, S. R. B. M.; Mank, M.; Kottler, R.; Hoffmann, X.-K.; Behne, A.; Rapp, E.; Stahl, B.; Mearin, M. L.; Koletzko, B.: Presence and Levels of Galactosyllactoses and Other Oligosaccharides in Human Milk and Their Variation during Lactation and According to Maternal Phenotype. Nutrients 13 (7), 2324 (2021)

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Journal Article

Fechtner, M.; Kienle, A.: Approximate shock layer solutions for the separation of multicomponent mixtures with different axial dispersion or mass transfer coefficients. Chemical Engineering Science 231, 116335 (2021)

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Journal Article

Fehr, J.; Himpe, C.; Rave, S.; Saak, J.: Sustainable Research Software Hand-Over. Journal of Open Research Software 9 (1), 5 (2021)

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Journal Article

Feichtinger, R. G.; Hüllen, A.; Koller, A.; Kotzot, D.; Grote, V.; Rapp, E.; Hofbauer, P.; Brugger, K.; Thiel, C.; Mayr, J. A. et al.; Wortmann, S. B.: A spoonful of L‐fucose—an efficient therapy for GFUS‐CDG, a new glycosylation disorder. Embo Molecular Medicine 13 (9), e14332 (2021)

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Journal Article

Felischak, M.; Kaps, L.; Hamel, C.; Nikolic, D.; Petkovska, M.; Seidel-Morgenstern, A.: Analysis and experimental demonstration of forced periodic operation of an adiabatic stirred tank reactor: Simultaneous modulation of inlet concentration and total flow-rate. Chemical Engineering Journal 410, 128197 (2021)

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post-print

Journal Article

Feng, L.; Benner, P.: On Error Estimation for Reduced-order Modeling of Linear Non-Parametric and Parametric Systems. ESAIM: Mathematical Modelling and Numerical Analysis 55 (2), pp. 561 - 594 (2021)

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post-print

Journal Article

Feng, L.; Fu, G.; Wang, Z.: A FOM/ROM Hybrid Approach for Accelerating Numerical Simulations. Journal of Scientific Computing 89, 61 (2021)

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Journal Article

Fortuna, A. R.; Taft, F.; Villain, L.; Wolff, M. W.; Reichl, U.: Continuous purification of influenza A virus particles using pseudo-affinity membrane chromatography. Journal of Biotechnology 342, pp. 139 - 148 (2021)

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Journal Article

Gänsch, J.; Huskova, N.; Kerst, K.; Temmel, E.; Lorenz, H.; Mangold, M.; Janiga, G.; Seidel-Morgenstern, A.: Continuous enantioselective crystallization of chiral compounds in coupled fluidized beds. Chemical Engineering Journal 422, 129627 (2021)

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Journal Article

Gosea, I. V.; Güttel, S.: Algorithms for the Rational Approximation of Matrix-Valued Functions. SIAM Journal on Scientific Computing 43 (5), pp. A3033 - A3054 (2021)

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Journal Article

Gränicher, G.; Babakhani, M.; Göbel, S.; Jordan, I.; Marichal-Gallardo, P.; Genzel, Y.; Reichl, U.: A high cell density perfusion process for Modified Vaccinia virus Ankara production: process integration with inline DNA digestion and cost analysis. Biotechnology and Bioengineering 118 (12), pp. 4720 - 4734 (2021)

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Journal Article

Gränicher, G.; Tapia, F.; Behrendt, I.; Jordan, I.; Genzel, Y.; Reichl, U.: Production of Modified Vaccinia Ankara Virus by Intensified Cell Cultures: A Comparison of Platform Technologies for Viral Vector Production. Biotechnology Journal 16 (1), e2000024 (2021)

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Journal Article

Grundel, S.; Heyder, S.; Hotz, T.; Ritschel, T. K.S.; Sauerteig, P.; Worthmann, K.: How to coordinate Vaccination and Social Distancing to mitigate SARS-CoV-2 Outbreaks. SIAM journal on applied dynamical systems 20 (2), pp. 1135 - 1157 (2021)

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Journal Article

Gücüm, S.; Sakson, R.; Hoffmann, M.; Grote, V.; Becker, C.; Pakari, K.; Beedgen, L.; Thiel, C.; Rapp, E.; Ruppert, T. et al.; Thumberger, T.; Wittbrodt, J.: A patient-based medaka alg2 mutant as a model for hypo-N-glycosylation. Development 148 (11), dev199385 (2021)

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Journal Article

Harriehausen, I.; Bollmann, J.; Carneiro, T.; Bettenbrock, K.; Seidel-Morgenstern, A.: Characterization of an Immobilized Amino Acid Racemase for Potential Application in Enantioselective Chromatographic Resolution Processes. Catalysts 11 (6), 726 (2021)

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Journal Article

Hassa, J.; Klang, J.; Benndorf, D.; Pohl, M.; Hülsemann, B.; Mächtig, T.; Effenberger, M.; Pühler, A.; Schlüter, A.; Theuerl, S.: Indicative Marker Microbiome Structures Deduced from the Taxonomic Inventory of 67 Full-Scale Anaerobic Digesters of 49 Agricultural Biogas Plants. Microorganisms 9 (7), 1457 (2021)

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Journal Article

Heiland, J.; Zuazua, E.: Classical System Theory Revisited for Turnpike in Standard State Space Systems and Impulse Controllable Descriptor Systems. SIAM Journal on Control and Optimization 59 (5), pp. 3600 - 3624 (2021)

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Journal Article

Hein, M. D.; Arora, P.; Marichal-Gallardo, P.; Winkler, M.; Genzel, Y.; Pöhlmann, S.; Schughart, K.; Kupke, S. Y.; Reichl, U.: Cell culture-based production and in vivo characterization of purely clonal defective interfering influenza virus particles. BMC Biology 19 (1), 91 (2021)

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Journal Article

Hein, M. D.; Chawla, A.; Cattaneo, M.; Kupke, S. Y.; Genzel, Y.; Reichl, U.: Cell culture–based production of defective interfering influenza A virus particles in perfusion mode using an alternating tangential flow filtration system. Applied Microbiology and Biotechnology 105, pp. 7251 - 7264 (2021)

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Journal Article

Hein, M. D.; Kollmus, H.; Marichal-Gallardo, P.; Püttker, S.; Benndorf, D.; Genzel, Y.; Schughart, K.; Kupke, S. Y.; Reichl, U.: OP7, a novel influenza A virus defective interfering particle: production, purification, and animal experiments demonstrating antiviral potential. Applied Microbiology and Biotechnology 105 (1), pp. 129 - 146 (2021)

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Journal Article

Heinrich, J.; Bossad-Ahmad, K.; Riisom, M.; Haeri, H. H.; Steel, T. R.; Hergl, V.; Langhans, A.; Schattschneider, C.; Barrera, J.; Jamieson, S. M. F. et al.; Stein, M.; Hinderberger, D.; Hartinger, C. G.; Bal, W.; Kulak, N.: Incorporation of β‐alanine in Cu(II) ATCUN peptide complexes increases ROS levels, DNA cleavage and antiproliferative activity. Chemistry – A European Journal 27 (72), pp. 18093 - 18102 (2021)

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Journal Article

Himpe, C.; Grundel, S.; Benner, P.: Model Order Reduction for Gas and Energy Networks. Journal of Mathematics in Industry 11, 13, 46 pages (2021)

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Journal Article

Hu, X.; Wang, J.; Mei, M.; Song, Z.; Cheng, H.; Chen, L.; Qi, Z.: Transformation of CO2 incorporated in adducts of N-heterocyclic carbene into dialkyl carbonates under ambient conditions: An experimental and mechanistic study. Chemical Engineering Journal 413, 127469 (2021)

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Journal Article

Huxoll, F.; Jameel, F.; Bianga, J.; Seidensticker, T.; Stein, M.; Sadowski, G.; Vogt, D.: Solvent Selection in Homogeneous Catalysis—Optimization of Kinetics and Reaction Performance. ACS Catalysis 11, pp. 590 - 594 (2021)

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Journal Article

Intaraboonrod, K.; Harriehausen, I.; Carneiro, T.; Seidel-Morgenstern, A.; Lorenz, H.; Flood, A. E.: Temperature Cycling Induced Deracemization ofdl-Asparagine Monohydrate with Immobilized Amino Acid Racemase. Crystal Growth & Design 21 (1), pp. 306–313 - 313 (2021)

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Journal Article

Intaraboonrod, K.; Seidel-Morgenstern, A.; Lorenz, H.; Flood, A. E.: Efficient Conversion of Threonine to Allothreonine Using Immobilized Amino Acid Racemase and Temperature Cycles. Crystal Growth & Design 21 (10), pp. 5641 - 5650 (2021)

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Journal Article

Ivanov, I.; Lopez-Castellanos, S.; Balasbas III, S.; Otrin, L.; Marušič, N.; Vidaković-Koch, T.; Sundmacher, K.: Bottom-Up Synthesis of Artificial Cells: Recent Highlights and Future Challenges. Annual Review of Chemical and Biomolecular Engineering 12, pp. 287 - 308 (2021)

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Journal Article

Jameel, F.; Stein, M.: Solvent effects in hydroformylation of long-chain olefins. Molecular Catalysis 503, 111429 (2021)

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Journal Article

Jendersie, R.; Werner, S. W. R.: A Comparison of Numerical Methods for Model Reduction of Dense Discrete-Time Systems. at - Automatisierungstechnik 69 (8), pp. 683 - 694 (2021)

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Journal Article

Jin, Y.; Xing, Z.; Li, Y.; Han, J.; Lorenz, H.; Chen, J.: Synthetic BiOBr/Bi2S3/CdS Crystalline Material and Its Degradation of Dye under Visible Light. Crystals 11 (8), 899 (2021)

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Journal Article

Kawahara, R.; Chernykh, A.; Alagesan, K.; Bern, M.; Cao, W.; Chalkley, R. J.; Cheng, K.; Choo, M. S.; Edwards, N.; Goldman, R. et al.; Hoffmann, M.; Hu, Y.; Huang, Y.; Kim, J. Y.; Kletter, D.; Liquet, B.; Liu, M.; Mechref, Y.; Meng, B.; Neelamegham, S.; Nguyen-Khuong, T.; Nilsson, J.; Pap, A.; Park, G. W.; Parker, B. L.; Pegg, C. L.; Penninger, J. M.; Phung, T. K.; Pioch, M.; Rapp, E.; Sakalli, E.; Sanda, M.; Schulz, B. L.; Scott, N. E.; Sofronov, G.; Stadlmann, J.; Vakhrushev, S. Y.; Woo, C. M.; Wu, H.-Y.; Yang, P.; Ying, W.; Zhang, H.; Zhang, Y.; Zhao, J.; Zaia, J.; Haslam, S. M.; Palmisano, G.; Yoo, J. S.; Larson, G.; Khoo, K.-H.; Medzihradszky, K. F.; Kolarich, D.; Packer, N. H.; Thaysen-Andersen, M.: Community evaluation of glycoproteomics informatics solutions reveals high-performance search strategies for serum glycopeptide analysis. Nature Methods 18, pp. 1304 - 1316 (2021)

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Journal Article

Khan, A.; Perveen, S.; Qamar, S.: Discontinuous-Galerkin finite-element method for approximating a model of non-equilibrium liquid chromatography considering Bi-Langmuir isotherm. Journal of Liquid Chromatography & Related Technologies 44 (5-6), pp. 298 - 308 (2021)

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