TY - JOUR A1 - Berretz, Frank A1 - Skorupa, Sascha A1 - Sander, Volker A1 - Belloum, Adam A1 - Bubak, Marian T1 - Actor-Driven Workflow Execution in Distributed Environments JF - Euro-Par 2010 Parallel Processing Workshops : HeteroPAR, HPCC, HiBB, CoreGrid, UCHPC, HPCF, PROPER, CCPI, VHPC ; Ischia, Italy, August 31 - September 3, 2010 ; revised selected papers / Mario R. Guarracino ... (eds.) Y1 - 2011 SN - 978-3-642-21877-4 N1 - Lecture Notes in Computer Science ; 6586 SP - 287 EP - 294 PB - Springer CY - Berlin ER - TY - JOUR A1 - Gerhards, M. A1 - Skorupa, Sascha A1 - Sander, Volker A1 - Pfeiffer, P. A1 - Belloum, Adam T1 - Towards a security framework for a WS-HumanTask processor JF - 7th International Conference on Network and Service Management (CNSM), 2011 Paris Y1 - 2011 SN - 978-3-901882-44-9 SP - 1 EP - 5 PB - IEEE CY - New York ER - 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 - Fredebeul-Krein, Markus A1 - Knoben, Werner T1 - Long term risk sharing contracts as an approach to establish public–private partnerships for investment into next generation access networks JF - Telecommunications Policy N2 - This paper develops an investment/pricing model for the deployment of basic broadband networks which, along with other applications, is applicable to public–private partnership projects. In particular, a new investment model is suggested to be used for finance deployment over a longer term by enabling both private and public investors to participate in the roll-out of next generation access (NGA) infrastructure. This so-called “long-term risk sharing concept” has several notable benefits compared with the traditional regulatory approach. Above all, the model enables both private operators and public authorities to share the risk of investing in NGA infrastructure. Thus the model offers a way for public authorities to achieve a timely and countrywide roll-out of NGA networks, including in areas where NGA investment would otherwise not occur. Y1 - 2010 U6 - https://doi.org/10.1016/j.telpol.2010.07.011 SN - 0308-5961 N1 - Part of special issue "Public–private interplay in next generation communications" VL - 34 IS - 9 SP - 528 EP - 539 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Gerhards, M. A1 - Skorupa, Sascha A1 - Sander, Volker A1 - Belloum, Adam A1 - Vesunin, D. A1 - Benabdelkader, A. T1 - HisT/PLIER : A Two-Fold Provenance Approach for Grid-Enabled Scientific Workflows Using WS-VLAM JF - 12th IEEE/ACM International Conference on Grid Computing (GRID), 2011 Y1 - 2011 U6 - https://doi.org/10.1109/Grid.2011.39 SP - 224 EP - 225 PB - IEEE CY - New York 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 - Hirschfeld, Julian A. A1 - Lustfeld, Hans A1 - Reißel, Martin A1 - Steffen, Bernhard T1 - A novel scheme for precise diagnostics and effective stabilization of currents in a fuel cell stack JF - International Journal of Energy Research N2 - A novel scheme for detecting inhomogeneous internal currents in a fuel cell stack is presented. In this paper the scheme is investigated for the case that the flow field plates consist of graphite. Then plates of high conductivity, e.g. aluminium between the flow field plates together with small slits in these plates have three effects: (a) Whenever a local inhomogeneity of the electric current occurs at a particular cell in the stack, this will induce a surface current close to that cell perpendicular to the averaged current. This current can be detected. (b) The plates of high conductivity completely prevent the inhomogeneities from spreading to neighbouring cells. (c) Even at the particular cell the inhomogeneity is suppressed as far as possible. Thus this scheme leads to much better diagnostic possibilities and at the same time reduces electric instabilities to an extent, where they probably become harmless. This scheme will first be explained for a simple model to clarify the idea. However, very precise three dimensional computations using realistic parameters are presented, corroborating the results of the simple model. Y1 - 2010 U6 - https://doi.org/10.1002/er.1662 SN - 0363-907X VL - 34 IS - 3 SP - 293 EP - 301 PB - Wiley CY - London ER - TY - JOUR A1 - Scholz, A. A1 - Ley, Wilfried A1 - Dachwald, Bernd A1 - Miau, J. J. A1 - Juang, J. C. T1 - Flight results of the COMPASS-1 picosatellite mission JF - Acta Astronautica N2 - The mission of the COMPASS-1 picosatellite is to take pictures of the earth, to validate a space-borne GPS receiver developed by the German Aerospace Center, and to verify the proper operation of the magnetic attitude control system in orbit. The spacecraft was launched on April 28, 2008 from the Indian space port Sriharikota, as part of the PSLV-C9 world record launch that simultaneously brought ten satellites into orbit. The mission operations were carried out from the ground stations in Aachen and Tainan. Arising difficulties in the communication link were overcome with the support of individuals from the amateur radio community. After several months of mission operation, abundant housekeeping and mission data has been commanded, received and analyzed and is presented in this paper. Y1 - 2010 U6 - https://doi.org/10.1016/j.actaastro.2010.06.040 SN - 0094-5765 VL - 76 IS - 9-10 SP - 1289 EP - 1298 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Hirschfeld, Julian A. A1 - Lustfeld, Hans A1 - Reißel, Martin A1 - Steffen, Bernhard T1 - Tomographic diagnostics of current distributions in a fuel cell stack JF - International Journal of Energy Research N2 - A novel tomographic scheme for analysing the state of any single membrane electrode assembly (MEA) in a stack is suggested. Plates of very high conductivity placed between every fuel cell and slitted in an appropriate manner cause surface currents at well-defined locations of the stack. We show that knowing these surface currents, information about anomalies of the currents in a MEA can be obtained using the methods of tomography. The results are mathematically not unique. However, when assuming plausible defect structures, one can exclude improbable deficiencies by applying a special form of simulated annealing. We present numerical calculations of typical examples demonstrating that the essential defects of the MEA in any single cell of the stack can be detected and their extent can be determined. Y1 - 2010 U6 - https://doi.org/10.1002/er.1634 SN - 0363-907X VL - 34 IS - 3 SP - 284 EP - 292 PB - Wiley CY - London ER - TY - JOUR A1 - Heinrichs, U. A1 - Pietrzyk, Uwe A1 - Ziemons, Karl T1 - Design optimization of the PMT-ClearPET prototypes based on simulation studies with GEANT3 JF - IEEE Transactions on Nuclear Science N2 - Within the Crystal Clear Collaboration (CCC), four centers are developing second generation high performance small animal positron emission tomography (PET) scanners for different kinds of animals and medical applications. The first prototypes are photomultiplier tube (PMT)-based systems including depth of interaction (DOI) detection by using a phoswich layer of lutetium oxyorthosilicate (LSO) and lutetium yttrium aluminum perovskite (LuYAP). The aim of these simulation studies is to optimize sensitivity and spatial resolution of given designs, which vary in fields of view (FOVs) caused by different detector configurations (ring/octagon) and sizes. For this purpose the simulation tool GEANT3 (CERN, Geneva, Switzerland) was used. Y1 - 2003 SN - 0018-9499 VL - 50 IS - 5 SP - 1428 EP - 1432 ER -