Selected Articles

Here, we present selected publications, articles and books, published by scientists of the MPI Magdeburg.

2023

Editor’s Choice Paper in metabolites

Impact of Influenza A Virus Infection on Growth and Metabolism of Suspension MDCK Cells Using a Dynamic Model

Rodrigues Correia Ramos, J.; Bissinger, T.; Genzel, Y.; Reichl, U.: Impact of Influenza A Virus Infection on Growth and Metabolism of Suspension MDCK Cells Using a Dynamic Model. Metabolites 12 (3), 239 (2022)

 

2022

Integrated Chemical Processes in Liquid Multiphase Systems

From Chemical Reaction to Process Design and Operation

This book summarizes the results obtained over twelve years in the DFG-funded collaborative project Transregio 63 “Integrated Chemical Processes in Liquid Multiphase Systems”. In an interdisciplinary approach to the design and operation of chemical processes, essential principles of Green Chemistry are realized, such as using long-chain olefins as model representatives of renewable raw materials, highly efficient catalysts, and green solvents, linked with process optimization to improve energy and material efficiency.

In this large project, usage of renewable feedstock and waste streams as raw materials to substitute feedstock from fossil source was investigated. Experts from different fields addressed all steps of the development process, from the description of the reactions on the molecular level via thermodynamics and the design of efficient separation processes to the operation of chemical plant s for liquid multiphase production processes.

Engineers and chemists from the chemical industry as well as advanced students and researchers will get valuable insights into the physico-chemical phenomena in chemical multiphase processes and benefit from advances concerning methods for the selection of phase systems and rapid model-based process development.

Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S.; Sundmacher, K. (Eds.): Integrated Chemical Processes in Liquid Multiphase Systems: from Chemical Reaction to Process Design and Operation. De Gruyter, Berlin/Boston (2022), 622 pp.

 

Realization and Model Reduction of Dynamical Systems

A Festschrift in Honor of the 70th Birthday of Thanos Antoulas

Prof. Antoulas is renowned for his fundamental research contributions. This Festschrift is being published for a conference to celebrate Antoulas's 70th birthday. Model reduction is a timely and important area with many scientific and engineering applications.
This book celebrates Professor Thanos Antoulas's 70th birthday, marking his fundamental contributions to systems and control theory, especially model reduction and, more recently, data-driven modeling and system identification. Model reduction is a prominent research topic with wide ranging scientific and engineering applications. 

Beattie, C.; Benner, P.; Embree, M.; Gugercin, S.; Lefteriu, S. (Eds.): Realization and Model Reduction of Dynamical Systems. Springer International Publishing, Cham (2022), XIX, 460 pp.

2021

Light-Powered Reactivation of Flagella and Contraction of Microtubule Networks: Toward Building an Artificial Cell

About the Cover: Integration of light-switchable functionalized vesicles with demembranated flagella. Upon illumination, Bacteriorhodopsin pumps a proton into the vesicle's interior, establishing a proton motive force that drives ATP synthase to catalyze the conversion of ADP to ATP. ATP is consumed by dynein molecular motors, generating active forces for flagellar beating.

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)

 

2020

Cover Feature: Light-Driven ATP Regeneration in Diblock/Grafted Hybrid Vesicles (ChemBioChem 15/2020)

A light-driven ATP regeneration module has been created through bottom-up assembly of small building blocks such as proteins, lipids and polymers. The use of polymer hybrid compartments instead of conventional liposomes significantly increased the long-term stability of the module. This could play an important role especially when using the module as an energy supply to drive cell-like functions within artificially created reaction compartments like protocells. More information can be found in the full paper by Tanja Vidaković-Koch et al.

Kleineberg, C.; Wölfer, C.; Abbasnia, A.; Pischel, D.; Bednarz, C.; Ivanov, I.; Heitkamp, T.; Börsch, M.; Sundmacher, K.; Vidaković-Koch, T.: Light-Driven ATP Regeneration in Diblock/Grafted Hybrid Vesicles. ChemBioChem 21 (15), pp. 2149 - 2160 (2020)

 


Speeding up Viedma Deracemization through Water‐catalyzed and Reactant Self‐catalyzed Racemization

The Cover Feature in ChemPhysChem, Volume 21, Issue 16, August 18, 2020, summarizes the results of a joint computational and experimental study demonstrating that faster racemization through water‐catalyzed enolization could result in faster deracemization of a scalemic slurry of a chiral hydrazine derivative.

This paper has been published with the project partners at Friedrich-Alexander University of Erlangen-Nürnberg as part of the CORE ITN Project by the European Union Horizon 2020 Research and Innovation Program.

 

Tortora, C.; Mai, C.; Cascella, F.; Mauksch, M.; Seidel-Morgenstern, A.; Lorenz, H.; Tsogoeva, S. B.: Speeding up Viedma Deracemization through Water catalyzed and Reactant Self‐catalyzed Racemization. ChemPhysChem 21 (16), pp. 1775 - 1787 (2020)

 


Preparative Chromatography

The third edition of this popular work is revised to include the latest developments in this fast-changing field. Its interdisciplinary approach elegantly combines the chemistry and engineering to explore the fundamentals and optimization processes involved.

Summary

The book starts with a short history of chromatography and outlines future developments. The focus is preparative chromatography i.e. to isolate and purify products in high quality and yield by optimal and cost‐effective processes. It is the aim to provide and develop access to chromatographic purification concepts through the eyes of both engineers and chemists. This includes the fundamentals of natural science and design of materials and functionalities as well as mathematical modeling, simulation and process design supplemented by process operation and plant design.

"This special volume is essential for chemists and engineers working in chemical and pharmaceutical industries, as well as for food technologies, due to the interdisciplinary nature of these preparative chromatographic processes." Advances in Food Sciences

Schmidt-Traub, H.; Schulte, M.; Seidel-Morgenstern, A. (Eds.): Preparative Chromatography. Wiley-VCH Verlag, Weinheim (2020), 609 pp.

 

Purification of Curcumin from Ternary Extract-Similar Mixtures of Curcuminoids in a Single Crystallization Step

Highlight on the Front Cover of Crystals 2020, 10(3), 206; https://doi.org/10.3390/cryst10030206

Curcumin and its derivatives demethoxycurcumin (DMC) and bis(demethoxy)curcumin (BDMC) are natural ingredients of the plant rhizome of Curcuma longa L. Together they are known as curcuminoids. Despite their strong similarity in molecular structure, their pharmacological activity and therapeutic effects can differ, which requires isolation of curcumin in pure state. In the article, crystallization-based separation of curcumin from extract-similar curcuminoid mixtures is studied. Based on solubility and supersolubility data of pure curcumin and curcumin in the initial mixture, seeded cooling crystallization procedures were derived using different solvents/solvent systems. As a result, crystalline curcumin of up to 99.4% purity, free of BDMC and depleted DMC content, was provided in a simple single crystallization step. Opportunities to further enhance total curcumin recovery by optimizing the crystallization strategy are highlighted.
 

 

Horosanskaia, E.; Yuan, L.; Seidel-Morgenstern, A.; Lorenz, H.: Purification of Curcumin from Ternary Extract-Similar Mixtures of Curcuminoids in a Single Crystallization Step. Crystals 10 (3), 206 (2020)

2019

Polymer‐Based Module for NAD+ Regeneration with Visible Light

Highlight on the Front Cover of Volume 20 /2019 of ChemBioChem

Giant polymer vesicles carrying photocatalytic nanoparticles made out of a fully organic conjugated polymer were used to create a functional module able to artificially regenerate the oxidized form of the nicotinamide adenine nucleotide cofactor. The regeneration happens only under irradiation of visible light, with the catalytic process being efficiently shielded from external chemical stress due to the barrier offered by the membrane of the polymeric vesicles. More information can be found in the communication by K. A. I. Zhang, K. Landfester, et al. (20) 2019, pp. 2593.

Ma, B. C.; Caire da Silva, L.; Jo, S.-M.; Wurm, F.; Bannwarth, M. B.; Zhang, K. A. I.; Sundmacher, K.; Landfester, K.: Polymer-Based Module for NAD+ Regeneration with Visible Light. ChemBioChem: A European Journal of Chemical Biology 20 (20), pp. 2593 - 2596 (2019)

 


 

Continuous Separation of Lignin from Organosolv Pulping Liquors: Combined Lignin Particle Formation and Solvent Recovery

The solubility and softening behavior of lignin from acid-catalyzed ethanol/water pulping was determined in various ethanol/water solvent mixtures and a process relevant temperature range. Operation conditions for an optimized lignin separation process have been derived from the determined lignin phase behavior. A continuous lignin separation and solvent recovery process  has been developed in lab scale and was successfully up-scaled to a dedicated pilot plant at Fraunhofer CBP (WO2016062676A1). Agglomeration of softened lignin particles and lignin “stickiness” were adjusted by temperature (38–44 °C at 80–120 mbar) and ethanol content of the lignin dispersion (6–9 wt %). In this manner, ethanol recovery by evaporation and lignin particle formation were facilitated simultaneously, which was monitored by inline infrared spectroscopy. The agglomeration behavior of different lignins was monitored via inline particle size analysis. Optimal process conditions resulted in good filterability of the lignin dispersion with average filter cake resistances of 1011 to 1013 m–2 and lignin yields close to 100 wt % of water-insoluble lignin.

 

 

Schulze, P.; Leschinsky, M.; Seidel-Morgenstern, A.; Lorenz, H.: Continuous Separation of Lignin from Organosolv Pulping Liquors: Combined Lignin Particle Formation and Solvent Recovery. Industrial and Engineering Chemistry Research 58, pp. 3797 - 3810 (2019)

 

Further Reading:

2018

Linear Programming Approach for Structure Optimization of Renewable-to-Chemicals (R2Chem) Production Networks

Highlight on the Cover of Volume 57 (Issue 30) of Industrial & Engineering Chemical Research

For CO2 reduction in the chemical industries, the massive use of renewable energies and the substitution of fossil based feedstock by implementation of Renewables-to-Chemicals (R2Chem) production systems are of key importance. Due to the multitude of alternative feedstock sources and process technologies a large number of different process pathways are possible for converting renewables into valuable target products. In this work we propose a method for the identification of the optimal R2Chem process structure under consideration of an economic objective function. By introducing process extent variables it is possible to fully avoid binary decision variables, resulting in a purely linear program. The derived cost function includes operational as well as capital cost. Furthermore, a penalty term for the carbon dioxide emission is considered. It is shown that an acceptable trade-off between cost and emissions is realizable by using natural gas as feedstock source, especially if the required energy is supplied from renewable sources. A net consumption of CO2 of the overall production system is only possible if renewable energies sources are exploited while using CO2 as feedstock source at the same time. In case of using fossil energy sources, a negative carbon footprint is unavoidable due to high indirect CO2 emissions due to the energy supply (electricity, heat). Thus, in addition to economic challenges of using CO2 as feedstock also the ecologic impact strongly depends on the energy source used. The main advantage of the proposed method is the fast screening for the optimal process system within a superstructure which contains many alternative process configurations. The method is exemplified by optimizing process systems for the production of methanol for different feedstock and energy supply sources.

 

 

Schack, D.; Rihko-Struckmann, L.; Sundmacher, K.: Linear Programming Approach for Structure Optimization of Renewable-to-Chemicals (R2Chem) Production Networks. Industrial & Engineering Chemistry Research 57 (30), pp. 9889 - 9902 (2018)

 


Nonlinear Frequency Response Method for Evaluating Forced Periodic Operations of Chemical Reactors

Nonlinear Frequency Response (NFR) method is a relatively new method which can be used for fast evaluation of possible process improvements through periodic operations. The method is analytical and approximate. Its main task is to give an answer whether periodic modulation of one or more process inputs can result in improved process performance. The method is explained in brief and an overview of the existing applications is given. The review covers simple reactions performed in isothermal and non‐isothermal stirred tank reactors exposed to different modulated inputs (inlet concentration, flow‐rate, inlet temperature, temperature of the heating/cooling medium). Processes with two simultaneously modulated inputs and different shapes of the periodic input are also considered. The results of the NFR method are compared with the results of numerical simulation and a critical evaluation of the method is given.

 

 

Petkovska, M.; Nikolić, D.; Seidel-Morgenstern, A.: Nonlinear Frequency Response Method for Evaluating Forced Periodic Operations of Chemical Reactors. Israel Journal of Chemistry 58 (6-7), pp. 663 - 681 (2018)

2017

Sequential bottom-up assembly of mechanically stabilized synthetic cells by microfluidics

Compartments for the spatially and temporally controlled assembly of biological processes are essential towards cellular life. Synthetic mimics of cellular compartments based on lipid-based protocells lack the mechanical and chemical stability to allow their manipulation into a complex and fully functional synthetic cell. Here, we present a high-throughput microfluidic method to generate stable, defined sized liposomes termed ‘droplet-stabilized giant unilamellar vesicles (dsGUVs)’. The enhanced stability of dsGUVs enables the sequential loading of these compartments with biomolecules, namely purified transmembrane and cytoskeleton proteins by microfluidic pico-injection technology. This constitutes an experimental demonstration of a successful bottom-up assembly of a compartment with contents that would not self-assemble to full functionality when simply mixed together. Following assembly, the stabilizing oil phase and droplet shells are removed to release functional self-supporting protocells to an aqueous phase, enabling them to interact with physiologically relevant matrices.

Original Publication:

Marian Weiss, Johannes Patrick Frohnmayer, Lucia Theresa Benk, Barbara Haller, Jan-Willi Janiesch, Thomas Heitkamp, Michael Börsch, Rafael B. Lira, Rumiana Dimova, Reinhard Lipowsky, Eberhard Bodenschatz, Jean-Christophe Baret, Tanja Vidakovic-Koch, Kai Sundmacher, Ilia Platzman, Joachim P. Spatz
Sequential bottom-up assembly of mechanically stabilized synthetic cells by microfluidics
Nature Materials, 16 October 2017, DOI: 10.1038/nmat5005

Press Release (in German): Eine stabile Hülle für künstliche Zellen ...


Optimal Reactor Design via Flux Profile Analysis for an Integrated Hydroformylation Process

Highlight on the Cover of Issue 56 of Industrial & Engineering Chemical Research

Different operational modes, various scales, and complex phenomena make the design of a chemical process a challenging task. Besides conducting basic lab experiments and deriving fundamental kinetic and thermodynamic models, a crucial task within the entire process design is the synthesis of an optimal reactor-network constituting the core of a chemical process. However, instead of directly up-scaling the process to large devices, it is wise to investigate process characteristics on the miniplant scale. For an existing miniplant for the hydroformylation of 1-dodecene using a rhodium catalyst and a thermomorphic solvent system for catalyst recovery, two optimized reactor designs are derived. Suitable reactor-networks were synthesized by applying the Flux Profile Analysis approach introduced in Kaiser et al. (2017). The combination of a first reactor with dynamic/distributed control options and a subsequent back-mixed continuous stirred tank reactor (CSTR) arose to be the most promising configurations. The technical design under miniplant conditions was carried out for two possible realizations of this network, namely (i) a continuous flow reactor and (ii) a periodically operated semibatch reactor, both followed by the existing CSTR which was originally operated in the miniplant. An optimization of the two optimal reactor configurations within an overall process including a liquid–liquid phase separation for catalyst recovery and a distillation column for separating the solvents and reactant evinced a selectivity with respect to the linear aldehyde around 94% and a conversion around 98%. This is a large improvement of the process performance of 24% linear aldehyde selectivity and 40% conversion when using the existing CSTR.

Original Publication:

Nicolas M. Kaiser, Michael Jokiel, Kevin McBride, Robert J. Flassig, and Kai Sundmacher
Optimal Reactor Design via Flux Profile Analysis for an Integrated Hydroformylation Process
I&EC Research, 2017, 56 (40), pp 11507–11518, 18 October 2017, DOI: 10.1021/acs.iecr.7b01939

 


A Cell-Autonomous Mammalian 12 hr Clock Coordinates Metabolic and Stress Rhythms

Besides circadian rhythms, oscillations cycling with a 12 hr period exist. However, the prevalence, origin, regulation, and function of mammalian 12 hr rhythms remain elusive. Utilizing an unbiased mathematical approach identifying all superimposed oscillations, we uncovered prevalent 12 hr gene expression and metabolic rhythms in mouse liver, coupled with a physiological 12 hr unfolded protein response oscillation. The mammalian 12 hr rhythm is cell autonomous, driven by a dedicated 12 hr pacemaker distinct from the circadian clock, and can be entrained in vitro by metabolic and ER stress cues. Mechanistically, we identified XBP1s as a transcriptional regulator of the mammalian 12 hr clock. Downregulation of the 12 hr gene expression strongly correlates with human hepatic steatosis and steatohepatitis, implying its importance in maintaining metabolic homeostasis. The mammalian 12 hr rhythm of gene expression also is conserved in nematodes and crustaceans, indicating an ancient origin of the 12 hr clock. Our work sheds new light on how perturbed biological rhythms contribute to human disease.

 

Original Publication:

Bokai Zhu, Qiang Zhang, Yinghong Pan, Emily M. Mace, Brian York, Athanasios C. Antoulas, Clifford C. Dacso, Bert W. O’Malley
A Cell-Autonomous Mammalian 12 hr Clock Coordinates Metabolic and Stress Rhythms.
Cell Metabolism, Volume 25, Issue 6, pp. 1305–1319.e9, 6 June 2017
DOI: 10.1016/j.cmet.2017.05.004


 

Non-equimolar discrete compounds in binary chiral systems of organic substances

CrystEngComm Highlight Article

Since knowledge on the occurrence of non-equimolar discrete compounds in binary systems containing chiral molecules is very limited, this study reviews and systematizes the current state of investigating such systems and summarizes the results on two example systems studied in detail by the authors.

In particular, the identification and verification of the non-equimolar discrete compounds compared to other discrete solid phases occurring in the two systems are discussed by presenting the results of related SCXRD, PXRD, TRPXRD, DSC, IR, and HSM studies. The (S)-malic acid–(R)-malic acid system has been found to contain non-equimolar 1 : 3 and 3 : 1 stable (S3R and SR3) and metastable (3S1R and 1S3R) discrete compounds, along with the equimolar compounds RSI and RSII (known monoclinic modifications) and the recently discovered RSIII modification.

Polymorphic transformations of the discrete phases are debated, and the crystal structure of the stable compound S3R is identified (S. G. P1). The L-valine–L-isoleucine system has been stated to contain a non-equimolar 2 : 1 discrete compound, V2I, that could independently be proven by the ternary solubility diagram in water and its crystal structure solved (S. G. C2). The results obtained are discussed in conjunction with the findings reported in the literature. In order to systematize the variety of terms used for the description of discrete phases in binary chiral systems of organic substances, a systematization of equimolar and non-equimolar compounds based on chemical and crystallographic characteristics is proposed.

Original publication:


 

 Model Reduction and Approximation: Theory and Algorithms

Many physical, chemical, biomedical, and technical processes can be described by partial differential equations or dynamical systems. In spite of increasing computational capacities, many problems are of such high complexity that they are solvable only with severe simplifications, and the design of efficient numerical schemes remains a central research challenge. This book presents a tutorial introduction to recent developments in mathematical methods for model reduction and approximation of complex systems.

Model Reduction and Approximation: Theory and Algorithms

  • contains three parts that cover (I) sampling-based methods, such as the reduced basis method and proper orthogonal decomposition, (II) approximation of high-dimensional problems by low-rank tensor techniques, and (III) system-theoretic methods, such as balanced truncation, interpolatory methods, and the Loewner framework;
  • is tutorial in nature, giving an accessible introduction to state-of-the-art model reduction and approximation methods; and
  • covers a wide range of methods drawn from typically distinct communities (sampling based, tensor based, system-theoretic).

Original publication:

Peter Benner, Albert Cohen, Mario Ohlberger, and Karen Willcox (Eds.)
Model Reduction and Approximation: Theory and Algorithms
SIAM Publications, Philadelphia, PA, 2017.
ISBN: 978-1-611974-81-2


System Reduction for Nanoscale IC Design

This book describes the computational challenges posed by the progression toward nanoscale electronic devices and increasingly short design cycles in the microelectronics industry, and proposes methods of model reduction which facilitate circuit and device simulation for specific tasks in the design cycle.

The goal is to develop and compare methods for system reduction in the design of high dimensional nanoelectronic ICs, and to test these methods in the practice of semiconductor development. Six chapters describe the challenges for numerical simulation of nanoelectronic circuits and suggest model reduction methods for constituting equations. These include linear and nonlinear differential equations tailored to circuit equations and drift diffusion equations for semiconductor devices. The performance of these methods is illustrated with numerical experiments using real-world data. Readers will benefit from an up-to-date overview of the latest model reduction methods in computational nanoelectronics.

Original publication:

Peter Benner
System Reduction for Nanoscale IC Design
Springer International Publishing AG. 2017.
DOI: 10.1007/978-3-319-07236-4

 

 

Go to Editor View