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 - JOUR A1 - Riepl, Herbert Matthias A1 - Pettrak, Jürgen A1 - Faulstich, Martin A1 - Herrmann, Wolfgang Anton T1 - Self metathesis of fatty alcohols and amines to provide monomers for polyester and polyamide products JF - Macromolecular Symposia N2 - Self metathesis of oleochemicals offers a variety of bifunctional compounds, that can be used as monomer for polymer production. Many precursors are in huge scales available, like oleic acid ester (biodiesel), oleyl alcohol (tensides), oleyl amines (tensides, lubricants). We show several ways to produce and separate and purify C18-α,ω-bifunctional compounds, using Grubbs 2nd Generation catalysts, starting from technical grade educts. KW - fatty acid KW - metathesis KW - polyamide KW - polyester KW - renewable resources Y1 - 2010 U6 - https://doi.org/10.1002/masy.200900041 SN - 1521-3900 (eISSN) SN - 0258-0322 SN - 1022-1360 N1 - Special Issue: "Olefin Metathesis" VL - 293 IS - 1 SP - 39 EP - 42 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Großhauser, Christian A1 - Pettrak, Jürgen T1 - Die Rolle des Wasserstoffs in der Abwasserbehandlung JF - Wasser und Abfall N2 - Die Bereitstellung von nachhaltig erzeugtem Wasserstoff als Energieträger und Rohstoff ist eine wichtige Schlüsseltechnologie sowohl als Ersatz für fossile Energieträger, aber auch als Produkt im Zusammenhang mit Kreislaufprozessen. In der Abwasserbehandlung bestehen verschiedene Möglichkeiten Wasserstoff herzustellen. Mehrere Wege, mögliche Synergien, aber auch deren Nachteile werden vorgestellt. Y1 - 2023 U6 - https://doi.org/10.1007/s35152-023-1444-4 SN - 1436-9095 SN - 2192-8754 (eISSN) IS - 7/8 PB - Springer Fachmedien CY - Wiesbaden ER - TY - JOUR A1 - Rake, Heinrich A1 - Enning, Manfred A1 - Kurth, Johannes A1 - Schröder, Walter T1 - Automatic uncoupler completes automation at the hump JF - RGI - Railway Gazette International Y1 - 1994 SN - 0373-5346 VL - 150 IS - 6 SP - 371 EP - 374 PB - Reed Business CY - Sutton ER - TY - JOUR A1 - Rake, Heinrich A1 - Schwanhäußer, Wulf A1 - Frederich, Fritz A1 - Enning, Manfred T1 - Automatisierung von Ablaufanlagen mit dem Kupplungsroboter JF - ETR - Eisenbahntechnische Rundschau Y1 - 1993 SN - 0013-2845 IS - 4 SP - 249 EP - 254 PB - DVV Media Group CY - Hamburg ER - TY - JOUR A1 - Manfred, Enning A1 - May, Jörg A1 - Sutter, Stefan T1 - Innovation am Güterwagen am Beispiel der Automatischen Bremsprobe JF - ETR - Eisenbahntechnische Rundschau N2 - Mit der Digitalen Automatischen Kupplung beginnt ein neues Kapitel des Schienengüterverkehrs, in dem zusammengestellte Wagen sich automatisch in wenigen Minuten abfahrbereit machen, ohne dass der Mensch eingreifen muss. Eines des größten Hemmnisse der umweltfreundlichen Schiene wird dann entfallen. Notwendig ist jetzt eine Diskussion über den Umfang und die Systemgrenzen der Automatischen Bremsprobe. Y1 - 2020 SN - 0013-2845 IS - 12 SP - 14 EP - 19 PB - DVV Media Group CY - Hamburg ER - TY - JOUR A1 - Enning, Manfred A1 - Schmidt, Bernd A1 - Wilbring, Daniela T1 - Auf dem Weg zur autonomen Anschlussbedienung JF - Privatbahn-Magazin Y1 - 2019 SN - 1865-0163 IS - 3 SP - 40 EP - 43 PB - Bahn Media CY - Suhlendorf ER - TY - JOUR A1 - Enning, Manfred A1 - Pfaff, Raphael T1 - Güterwagen 4.0 - Mehr als nur technischer Fortschritt JF - Privatbahn-Magazin N2 - Lokomotiven sind dank modernster Konzepte der Antriebstechnik heute energiesparend und umweltfreundlich. Eine Ausrüstung mit Telematik und Assistenzfunktionen ist Standard. Auf der Strecke zeigt sich moderne Technik in Form elektronischer Stellwerke und Zugsicherungssysteme und in Rangier- und Abstellanlagen als EOW-Technik. Am Güterwagen hingegen ist der technische Fortschritt komplett vorbeigegangen. Auch beim modernsten Wagen (Abb. 1) ist die einzige „Automatik“-Funktion die zentral über die Hauptluftleitung (HL) versorgte und betätigte Luftbremse. Y1 - 2017 SN - 1865-0163 IS - 2 SP - 21 EP - 25 PB - Bahn Media CY - Suhlendorf ER - TY - JOUR A1 - Enning, Manfred A1 - Pfaff, Raphael T1 - Digitalisierung bringt mehr Güter auf die Schiene JF - Sonderprojekte ATM/MTZ Y1 - 2016 U6 - https://doi.org/10.1007/s41491-016-0570-7 SN - 2509-4610 VL - 21 IS - 6 (suppl.) SP - 34 EP - 37 PB - Springer Fachmedien CY - Wiesbaden ER -