TY - JOUR A1 - Bernau, C. R. A1 - Knödler, Matthias A1 - Emonts, Jessica A1 - Jäpel, Ronald Colin A1 - Buyel, Johannes Felix T1 - The use of predictive models to develop chromatography-based purification processes JF - Frontiers in Bioengineering and Biotechnology N2 - Chromatography is the workhorse of biopharmaceutical downstream processing because it can selectively enrich a target product while removing impurities from complex feed streams. This is achieved by exploiting differences in molecular properties, such as size, charge and hydrophobicity (alone or in different combinations). Accordingly, many parameters must be tested during process development in order to maximize product purity and recovery, including resin and ligand types, conductivity, pH, gradient profiles, and the sequence of separation operations. The number of possible experimental conditions quickly becomes unmanageable. Although the range of suitable conditions can be narrowed based on experience, the time and cost of the work remain high even when using high-throughput laboratory automation. In contrast, chromatography modeling using inexpensive, parallelized computer hardware can provide expert knowledge, predicting conditions that achieve high purity and efficient recovery. The prediction of suitable conditions in silico reduces the number of empirical tests required and provides in-depth process understanding, which is recommended by regulatory authorities. In this article, we discuss the benefits and specific challenges of chromatography modeling. We describe the experimental characterization of chromatography devices and settings prior to modeling, such as the determination of column porosity. We also consider the challenges that must be overcome when models are set up and calibrated, including the cross-validation and verification of data-driven and hybrid (combined data-driven and mechanistic) models. This review will therefore support researchers intending to establish a chromatography modeling workflow in their laboratory. KW - biopharmaceutical production process KW - Data-driven models KW - downstream processing design KW - experiment quality KW - hybrid model validation Y1 - 2022 U6 - https://doi.org/10.3389/fbioe.2022.1009102 SN - 2296-4185 (online-ressource) IS - 10 PB - Frontiers Media CY - Lausanne ER - TY - JOUR A1 - Emonts, Jessica A1 - Buyel, Johannes Felix T1 - An overview of descriptors to capture protein properties – Tools and perspectives in the context of QSAR modeling JF - Computational and Structural Biotechnology Journal N2 - Proteins are important ingredients in food and feed, they are the active components of many pharmaceutical products, and they are necessary, in the form of enzymes, for the success of many technical processes. However, production can be challenging, especially when using heterologous host cells such as bacteria to express and assemble recombinant mammalian proteins. The manufacturability of proteins can be hindered by low solubility, a tendency to aggregate, or inefficient purification. Tools such as in silico protein engineering and models that predict separation criteria can overcome these issues but usually require the complex shape and surface properties of proteins to be represented by a small number of quantitative numeric values known as descriptors, as similarly used to capture the features of small molecules. Here, we review the current status of protein descriptors, especially for application in quantitative structure activity relationship (QSAR) models. First, we describe the complexity of proteins and the properties that descriptors must accommodate. Then we introduce descriptors of shape and surface properties that quantify the global and local features of proteins. Finally, we highlight the current limitations of protein descriptors and propose strategies for the derivation of novel protein descriptors that are more informative. KW - Prediction of molecular features KW - Protein structure complexity KW - Quantitative structure activity relationship KW - Scalar parameters KW - Shape and surface properties Y1 - 2023 U6 - https://doi.org/10.1016/j.csbj.2023.05.022 SN - 2001-0370 (online-ressource) IS - 21 SP - 3234 EP - 3247 PB - Research Network of Computational and Structural Biotechnology CY - Gotenburg ER - TY - THES A1 - Emonts, Jessica T1 - Searching for many defective edges in hypergraphs Y1 - 2013 N1 - Ist auch als Online-Ausgabe erschienen: Emonts, Jessica: Searching for many defective edges in hypergraphs PB - Rheinisch-Westfälischen Technischen Hochschule Aachen CY - Aachen ER - TY - JOUR A1 - Knödler, Matthias A1 - Rühl, Clemens A1 - Emonts, Jessica A1 - Buyel, Johannes Felix T1 - Seasonal weather changes affect the yield and quality of recombinant proteins produced in transgenic tobacco plants in a greenhouse setting JF - Frontiers in Plant Science N2 - Transgenic plants have the potential to produce recombinant proteins on an agricultural scale, with yields of several tons per year. The cost-effectiveness of transgenic plants increases if simple cultivation facilities such as greenhouses can be used for production. In such a setting, we expressed a novel affinity ligand based on the fluorescent protein DsRed, which we used as a carrier for the linear epitope ELDKWA from the HIV-neutralizing antibody 2F5. The DsRed-2F5-epitope (DFE) fusion protein was produced in 12 consecutive batches of transgenic tobacco (Nicotiana tabacum) plants over the course of 2 years and was purified using a combination of blanching and immobilized metal-ion affinity chromatography (IMAC). The average purity after IMAC was 57 ± 26% (n = 24) in terms of total soluble protein, but the average yield of pure DFE (12 mg kg−1) showed substantial variation (± 97 mg kg−1, n = 24) which correlated with seasonal changes. Specifically, we found that temperature peaks (>28°C) and intense illuminance (>45 klx h−1) were associated with lower DFE yields after purification, reflecting the loss of the epitope-containing C-terminus in up to 90% of the product. Whereas the weather factors were of limited use to predict product yields of individual harvests conducted for each batch (spaced by 1 week), the average batch yields were well approximated by simple linear regression models using two independent variables for prediction (illuminance and plant age). Interestingly, accumulation levels determined by fluorescence analysis were not affected by weather conditions but positively correlated with plant age, suggesting that the product was still expressed at high levels, but the extreme conditions affected its stability, albeit still preserving the fluorophore function. The efficient production of intact recombinant proteins in plants may therefore require adequate climate control and shading in greenhouses or even cultivation in fully controlled indoor farms. KW - batch reproducibility KW - environmental correlation KW - fluorescent protein carrier KW - greenhouse cultivation KW - plant molecular farming Y1 - 2019 U6 - https://doi.org/10.3389/fpls.2019.01245 SN - 1664-462X (online-ressource) IS - 10 PB - Frontiers Media CY - Lausanne ER - TY - JOUR A1 - Kämper, Klaus-Peter A1 - Berg, U. A1 - Begemann, M. A1 - Hagemann, B. T1 - Series production and testing of a micro motor. Serienfertigung und Prüfung eines Mikromotors JF - Actuator 98 : 6th International Conference on New Actuators ; 17 - 19 June, 1998, Bremen, Germany ; conference proceedings / ed.: Hubert Borgmann ... Y1 - 1998 SN - 3-933339-00-6 N1 - Konferenz-Einzelbericht: ACTUATOR, Internat. Conf. on New Actuators SP - 552 EP - 555 PB - Messe Bremen CY - Bremen ER - TY - CHAP A1 - Franzen, Julian A1 - Stecken, Jannis A1 - Pfaff, Raphael A1 - Kuhlenkötter, Bernd T1 - Using the Digital Shadow for a Prescriptive Optimization of Maintenance and Operation : The Locomotive in the Context of the Cyber-Physical System T2 - Advances in Production, Logistics and Traffic N2 - In competition with other modes of transport, rail freight transport is looking for solutions to become more attractive. Short-term success can be achieved through the data-driven optimization of operations and maintenance as well as the application of novel strategies such as prescriptive maintenance. After introducing the concept of prescriptive maintenance, this paper aims to prove that vehicle-focused applications of this approach indeed have the potential to increase attractiveness. However, even greater advantages can be activated if data from the horizontal network of the vehicle is available. Drawing on the state of the art in research and technology in the field of cyber-physical systems (CPS) as well as digital twins and shadows, our work serves to design a system of systems for the horizontal interconnection of a rail vehicle and to conceptualize a draft for a digital twin of a locomotive. Y1 - 2019 SN - 978-3-030-13535-5 U6 - https://doi.org/10.1007/978-3-030-13535-5_19 SP - 265 EP - 276 PB - Springer CY - Cham ER - TY - JOUR A1 - Pfaff, Raphael A1 - Schmidt, Bernd A1 - Pinders, Udo T1 - Energieeffizienz steigern durch Rekuperationseinrichtungen JF - Deine Bahn Y1 - 2015 SN - 0172-4479 IS - 5 SP - 50 EP - 53 PB - Eisenbahn-Fachverlag CY - Mainz ER - TY - JOUR A1 - Pfaff, Raphael A1 - Enning, Manfred T1 - Die nachhaltige Alternative zum autonomen Lastwagen JF - Deine Bahn Y1 - 2017 IS - 10 SP - 22 EP - 26 ER - TY - RPRT A1 - Pfaff, Raphael A1 - George, Alfred A1 - Seiler, Friedrich A1 - Srulijes, Julio T1 - Dopplerbild-Verfahren : Entwicklung einer neuen Auswertemethode. (Bericht / ISL / AGARD ; R 124/2005) Y1 - 2005 PB - ISL CY - Saint Louis, France ER - TY - THES A1 - Pfaff, Raphael T1 - Evaluation and extension of the potential for application of the behavioural framework to practical engineering problems Y1 - 2013 N1 - Coventry, Univ., Diss., 2013 ER - TY - JOUR A1 - Pfaff, Raphael T1 - Braking distance prediction for vehicle consist in low-speed on-sight operation: a Monte Carlo approach JF - Railway Engineering Science N2 - The first and last mile of a railway journey, in both freight and transit applications, constitutes a high effort and is either non-productive (e.g. in the case of depot operations) or highly inefficient (e.g. in industrial railways). These parts are typically managed on-sight, i.e. with no signalling and train protection systems ensuring the freedom of movement. This is possible due to the rather short braking distances of individual vehicles and shunting consists. The present article analyses the braking behaviour of such shunting units. For this purpose, a dedicated model is developed. It is calibrated on published results of brake tests and validated against a high-definition model for low-speed applications. Based on this model, multiple simulations are executed to obtain a Monte Carlo simulation of the resulting braking distances. Based on the distribution properties and established safety levels, the risk of exceeding certain braking distances is evaluated and maximum braking distances are derived. Together with certain parameters of the system, these can serve in the design and safety assessment of driver assistance systems and automation of these processes. KW - Freight rail KW - Shunting KW - Braking curves KW - Brake set-up KW - Driver assistance system Y1 - 2023 U6 - https://doi.org/10.1007/s40534-023-00303-7 SN - 2662-4753 (eISSN) SN - 2662-4745 (Print) VL - 31 IS - 2 SP - 135 EP - 144 PB - SpringerOpen ER - TY - CHAP A1 - Wilbring, Daniela A1 - Enning, Manfred A1 - Pfaff, Raphael A1 - Schmidt, Bernd ED - de Doncker, Rik W. ED - Nießen, Nils ED - Schindler, Christian T1 - Neue Perspektiven für die Bahn in der Produktions- und Distributionslogistik durch Prozessautomation T2 - IRSA 2019: Tagungsband, Proceedings N2 - Deutschland braucht mehr Eisenbahn um CO2-Emissionen aus dem Verkehr zu reduzieren. Sie muss zum Rückgrat aktueller Logistikprozesse, z.B. bei Kaufmannsgütern und E-Commerce, werden. Dies geht nicht ohne neuartige betriebliche Konzepte und eine Transformation des Güterwagens von einem „dummen Stück Stahl“ zu einem modernen Werkzeug der Logistik. Als „Güterwagen 4.0“ wird ein kommunikativer und kooperativer Güterwagen verstanden, der die Voraussetzung zur Automatisierung aller Prozesse der Zugvorbereitung bereitstellt, sich aber ansonsten vollkommen kompatibel mit heutigen Betriebsverfahren im Hauptlauf präsentiert. Durch Kommunikation zwischen Güterwagen und umgebenden intelligenten Systemen im Sinne eines „Internet der Dinge“ gelingt damit unter Anderem die Realisierung hoch effizienter Gleisanschlussverkehre, die der Güterbahn neue Märkte abseits der klassisch bahn-affinen Verkehre erschließen und letztlich den Wandel zu einer nachhaltigen Gütermobilität fördern. Y1 - 2019 U6 - https://doi.org/10.18154/RWTH-2020-00014 N1 - 2nd International Railway Symposium Aachen, Aachen, Germany, 26 – 28 November 2019 SP - 128 EP - 142 PB - RWTH Aachen CY - Aachen ER - TY - JOUR A1 - Wilbring, Daniela A1 - Enning, Manfred A1 - Pfaff, Raphael A1 - Schmidt, Bernd T1 - Neue Perspektiven für die Bahn in der Produktions- und Distributionslogistik durch Prozessautomation JF - ETR - Eisenbahntechnische Rundschau Y1 - 2020 SN - 0013-2845 VL - 69 IS - 3 SP - 15 EP - 19 PB - DVV Mediagroup CY - Hamburg ER - TY - CHAP A1 - Pfaff, Raphael A1 - Shahidi, Parham A1 - Enning, Manfred T1 - Connected freight rail rolling stock: a modular approach integrating sensors, actors and cyber physical systems for operational advantages and condition based maintenance T2 - Asia-Pacific Conference of the Prognostics and Health Management Society Y1 - 2017 N1 - Asia-Pacific Conference of the Prognostics and Health Management Society, Jeju, Korea 2017 SP - 1 EP - 7 ER - TY - CHAP A1 - Seiler, Friedrich A1 - George, Alfred A1 - Pfaff, Raphael A1 - Srulijes, Julio T1 - Stand der Entwicklung des ISL Dopplerbildverfahrens T2 - GALA : 13. Fachtagung Lasermethoden in der Strömungsmesstechnik : 6. - 8. September 2005, Cottbus Y1 - 2005 SN - 3-9805613-2-1 SP - 24-1 EP - 24-8 PB - Techn. Univ. CY - Cottbus ER - TY - CHAP A1 - Pfaff, Raphael A1 - Pichler, Alexander A1 - George, Alfred A1 - Seiler, Friedrich T1 - Model based image processing for flow visualisation : 16th International Conference on Systems Science, Wroclaw, Poland, September 04 - 06, 2007 T2 - PU / Institut Franco-Allemand de Recherches de Saint-Louis ; 2007, 620 Y1 - 2007 SP - 1 EP - 10 PB - ISL CY - Saint Louis, France ER - TY - CHAP A1 - Pfaff, Raphael T1 - Analysis of Big Data Streams to obtain Braking Reliability Information for Train Protection systems T2 - Asia-Pacific Conference of the Prognostics and Health Management Society Y1 - 2017 N1 - Asia-Pacific Conference of the Prognostics and Health Management Society, Jeju, Korea 2017 SP - 1 EP - 7 ER - TY - CHAP A1 - Gao, H. A1 - Babilon, Katharina A1 - Pfaff, Raphael A1 - Gan, F. A1 - Reich, A. T1 - Model of wheel-rail contact for sanding and adhesion enhancement T2 - Proceedings of the 11th International Conference on Contact Mechanics and Wear of Rail/wheel Systems, CM 2018 Y1 - 2018 SN - 978-946186963-0 SP - 314 EP - 321 ER - TY - CHAP A1 - Seiler, Friedrich A1 - Pichler, Alexander A1 - Pfaff, Raphael A1 - George, Alfred A1 - Srulijes, Julio T1 - Improved Doppler picture velocimetry and new automated processing T2 - 14th International Symposium on Applications of Laser Techniques to Fluid Mechanics : Lisbon, Portugal, 7 - 10 July 2008 Y1 - 2008 SP - 1 EP - 12 ER - TY - JOUR A1 - Enning, Manfred A1 - Pfaff, Raphael T1 - Güterwagen 4.0 - Der Güterwagen für das Internet der Dinge. Teil 1: Gesamtsystembetrachtung und grundlegendes Konzept JF - ETR - Eisenbahntechnische Rundschau Y1 - 2017 SN - 0013-2845 VL - 66 IS - 1/2 SP - 12 EP - 16 PB - DVV Media Group CY - Hamburg ER -