TY - JOUR A1 - Bertz, Morten A1 - Molinnus, Denise A1 - Schöning, Michael Josef A1 - Homma, Takayuki T1 - Real-time monitoring of H₂O₂ sterilization on individual bacillus atrophaeus spores by optical sensing with trapping Raman spectroscopy JF - Chemosensors N2 - Hydrogen peroxide (H₂O₂), a strong oxidizer, is a commonly used sterilization agent employed during aseptic food processing and medical applications. To assess the sterilization efficiency with H₂O₂, bacterial spores are common microbial systems due to their remarkable robustness against a wide variety of decontamination strategies. Despite their widespread use, there is, however, only little information about the detailed time-resolved mechanism underlying the oxidative spore death by H₂O₂. In this work, we investigate chemical and morphological changes of individual Bacillus atrophaeus spores undergoing oxidative damage using optical sensing with trapping Raman microscopy in real-time. The time-resolved experiments reveal that spore death involves two distinct phases: (i) an initial phase dominated by the fast release of dipicolinic acid (DPA), a major spore biomarker, which indicates the rupture of the spore’s core; and (ii) the oxidation of the remaining spore material resulting in the subsequent fragmentation of the spores’ coat. Simultaneous observation of the spore morphology by optical microscopy corroborates these mechanisms. The dependence of the onset of DPA release and the time constant of spore fragmentation on H₂O₂ shows that the formation of reactive oxygen species from H₂O₂ is the rate-limiting factor of oxidative spore death. KW - DPA (dipicolinic acid) KW - sterilization KW - Bacillus atrophaeus spores KW - optical trapping KW - Raman spectroscopy KW - optical sensor setup Y1 - 2023 U6 - https://doi.org/10.3390/chemosensors11080445 SN - 2227-9040 N1 - This article belongs to the Special Issue "Biosensors and Chemical Sensors for Food and Healthcare Monitoring—Celebrating the 10th Anniversary" VL - 8 IS - 11 PB - MDPI CY - Basel ER - TY - JOUR A1 - Golland, Alexander A1 - Kriegesmann, Torben T1 - Zivilprozessuale Fragen zum datenschutzrechtlichen Schadensersatzanspruch JF - MMR - Zeitschrift für IT-Recht und Recht der Digitalisierung N2 - Im Verfahren gegen die Österreichische Post AG (Rs. C-300/21) befasste sich der EuGH erstmals mit dem in Art. 82 DS-GVO geregelten datenschutzrechtlichen Schadensersatzanspruch. Mit den Klarstellungen des EuGH verschieben sich die Probleme nun stärker zu den „klassischen“ Fragen des Schadensersatzrechts im Zivilprozess. Relevant sind dabei vor allem Aspekte der Darlegungs- und Beweislast und deren Besonderheiten mit Blick auf den Ersatz immaterieller Schäden. Der Beitrag fokussiert sich auf die Voraussetzungen und den dabei zu führenden Tatsachenbeweis bei der Klage des Betroffenen gegen den Verantwortlichen auf Ersatz immaterieller Schäden. Y1 - 2023 SN - 2698-7988 IS - 10 SP - 733 EP - 739 PB - Beck CY - München ER - TY - JOUR A1 - Baader, Fabian A1 - Boxberg, Marc S. A1 - Chen, Qian A1 - Förstner, Roger A1 - Kowalski, Julia A1 - Dachwald, Bernd T1 - Field-test performance of an ice-melting probe in a terrestrial analogue environment JF - Icarus N2 - Melting probes are a proven tool for the exploration of thick ice layers and clean sampling of subglacial water on Earth. Their compact size and ease of operation also make them a key technology for the future exploration of icy moons in our Solar System, most prominently Europa and Enceladus. For both mission planning and hardware engineering, metrics such as efficiency and expected performance in terms of achievable speed, power requirements, and necessary heating power have to be known. Theoretical studies aim at describing thermal losses on the one hand, while laboratory experiments and field tests allow an empirical investigation of the true performance on the other hand. To investigate the practical value of a performance model for the operational performance in extraterrestrial environments, we first contrast measured data from terrestrial field tests on temperate and polythermal glaciers with results from basic heat loss models and a melt trajectory model. For this purpose, we propose conventions for the determination of two different efficiencies that can be applied to both measured data and models. One definition of efficiency is related to the melting head only, while the other definition considers the melting probe as a whole. We also present methods to combine several sources of heat loss for probes with a circular cross-section, and to translate the geometry of probes with a non-circular cross-section to analyse them in the same way. The models were selected in a way that minimizes the need to make assumptions about unknown parameters of the probe or the ice environment. The results indicate that currently used models do not yet reliably reproduce the performance of a probe under realistic conditions. Melting velocities and efficiencies are constantly overestimated by 15 to 50 % in the models, but qualitatively agree with the field test data. Hence, losses are observed, that are not yet covered and quantified by the available loss models. We find that the deviation increases with decreasing ice temperature. We suspect that this mismatch is mainly due to the too restrictive idealization of the probe model and the fact that the probe was not operated in an efficiency-optimized manner during the field tests. With respect to space mission engineering, we find that performance and efficiency models must be used with caution in unknown ice environments, as various ice parameters have a significant effect on the melting process. Some of these are difficult to estimate from afar. Y1 - 2023 U6 - https://doi.org/10.1016/j.icarus.2023.115852 N1 - Forschungsdaten hierzu: "Performance data of an ice-melting probe from field tests in two different ice environments" (https://opus.bibliothek.fh-aachen.de/opus4/frontdoor/index/index/docId/10890) IS - 409 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Haeger, Gerrit A1 - Probst, Johanna A1 - Jaeger, Karl-Erich A1 - Bongaerts, Johannes A1 - Siegert, Petra T1 - Novel aminoacylases from Streptomyces griseus DSM 40236 and their recombinant production in Streptomyces lividans JF - FEBS Open Bio N2 - Amino acid-based surfactants are valuable compounds for cosmetic formulations. The chemical synthesis of acyl-amino acids is conventionally performed by the Schotten-Baumann reaction using fatty acyl chlorides, but aminoacylases have also been investigated for use in biocatalytic synthesis with free fatty acids. Aminoacylases and their properties are diverse; they belong to different peptidase families and show differences in substrate specificity and biocatalytic potential. Bacterial aminoacylases capable of synthesis have been isolated from Burkholderia, Mycolicibacterium, and Streptomyces. Although several proteases and peptidases from S. griseus have been described, no aminoacylases from this species have been identified yet. In this study, we investigated two novel enzymes produced by S. griseus DSM 40236ᵀ . We identified and cloned the respective genes and recombinantly expressed an α-aminoacylase (EC 3.5.1.14), designated SgAA, and an ε-lysine acylase (EC 3.5.1.17), designated SgELA, in S. lividans TK23. The purified aminoacylase SgAA was biochemically characterized, focusing on its hydrolytic activity to determine temperature- and pH optima and stabilities. The aminoacylase could hydrolyze various acetyl-amino acids at the Nα -position with a broad specificity regarding the sidechain. Substrates with longer acyl chains, like lauroyl-amino acids, were hydrolyzed to a lesser extent. Purified aminoacylase SgELA specific for the hydrolysis of Nε -acetyl-L-lysine was unstable and lost its enzymatic activity upon storage for a longer period but could initially be characterized. The pH optimum of SgELA was pH 8.0. While synthesis of acyl-amino acids was not observed with SgELA, SgAA catalyzed the synthesis of lauroyl-methionine. KW - Streptomyces lividans KW - recombinant expression KW - Streptomyces griseus KW - ε-lysine acylase KW - α-aminoacylase Y1 - 2023 U6 - https://doi.org/10.1002/2211-5463.13723 SN - 2211-5463 N1 - Corresponding author: Petra Siegert VL - 13 IS - 12 SP - 2224 EP - 2238 PB - Wiley CY - Hoboken, NJ ER - TY - JOUR A1 - Mues genannt Koers, Lucas A1 - McNeil, S. W. A1 - Radchenko, V. A1 - Paulßen, Elisabeth A1 - Hoehr, Cornelia T1 - Production of Co-58m in a siphon-style liquid target on a medical cyclotron N2 - We present the production of 58mCo on a small, 13 MeV medical cyclotron utilizing a siphon style liquid target system. Different concentrated iron(III)-nitrate solutions of natural isotopic distribution were irradiated at varying initial pressures and subsequently separated by solid phase extraction chromatography. The radio cobalt (58m/gCo and 56Co) was successfully produced with saturation activities of (0.35 ± 0.03) MBq μA−1 for 58mCo with a separation recovery of (75 ± 2) % of cobalt after one separation step utilizing LN-resin. Y1 - 2023 U6 - https://doi.org/10.1016/j.apradiso.2023.110734 SN - 0969-8043 VL - 195 IS - Art. 110734 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Wiegner, Jonas A1 - Volker, Hanno A1 - Mainz, Fabian A1 - Backes, Andreas A1 - Loeken, Michael A1 - Hüning, Felix T1 - Energy analysis of a wireless sensor node powered by a Wiegand sensor JF - Journal of Sensors and Sensor Systems (JSSS) N2 - This article describes an Internet of things (IoT) sensing device with a wireless interface which is powered by the energy-harvesting method of the Wiegand effect. The Wiegand effect, in contrast to continuous sources like photovoltaic or thermal harvesters, provides small amounts of energy discontinuously in pulsed mode. To enable an energy-self-sufficient operation of the sensing device with this pulsed energy source, the output energy of the Wiegand generator is maximized. This energy is used to power up the system and to acquire and process data like position, temperature or other resistively measurable quantities as well as transmit these data via an ultra-low-power ultra-wideband (UWB) data transmitter. A proof-of-concept system was built to prove the feasibility of the approach. The energy consumption of the system during start-up was analysed, traced back in detail to the individual components, compared to the generated energy and processed to identify further optimization options. Based on the proof of concept, an application prototype was developed. Y1 - 2023 U6 - https://doi.org/10.5194/jsss-12-85-2023 SN - 2194-878X N1 - Corresponding author: Felix Hüning VL - 12 IS - 1 SP - 85 EP - 92 PB - Copernicus Publ. CY - Göttingen ER - TY - JOUR A1 - Maurer, Florian A1 - Rieke, Christian A1 - Schemm, Ralf A1 - Stollenwerk, Dominik T1 - Analysis of an urban grid with high photovoltaic and e-mobility penetration JF - Energies N2 - This study analyses the expected utilization of an urban distribution grid under high penetration of photovoltaic and e-mobility with charging infrastructure on a residential level. The grid utilization and the corresponding power flow are evaluated, while varying the control strategies and photovoltaic installed capacity in different scenarios. Four scenarios are used to analyze the impact of e-mobility. The individual mobility demand is modelled based on the largest German studies on mobility “Mobilität in Deutschland”, which is carried out every 5 years. To estimate the ramp-up of photovoltaic generation, a potential analysis of the roof surfaces in the supply area is carried out via an evaluation of an open solar potential study. The photovoltaic feed-in time series is derived individually for each installed system in a resolution of 15 min. The residential consumption is estimated using historical smart meter data, which are collected in London between 2012 and 2014. For a realistic charging demand, each residential household decides daily on the state of charge if their vehicle requires to be charged. The resulting charging time series depends on the underlying behavior scenario. Market prices and mobility demand are therefore used as scenario input parameters for a utility function based on the current state of charge to model individual behavior. The aggregated electricity demand is the starting point of the power flow calculation. The evaluation is carried out for an urban region with approximately 3100 residents. The analysis shows that increased penetration of photovoltaics combined with a flexible and adaptive charging strategy can maximize PV usage and reduce the need for congestion-related intervention by the grid operator by reducing the amount of kWh charged from the grid by 30% which reduces the average price of a charged kWh by 35% to 14 ct/kWh from 21.8 ct/kWh without PV optimization. The resulting grid congestions are managed by implementing an intelligent price or control signal. The analysis took place using data from a real German grid with 10 subgrids. The entire software can be adapted for the analysis of different distribution grids and is publicly available as an open-source software library on GitHub. KW - distribution grid simulation KW - smart-charging KW - e-mobility Y1 - 2023 U6 - https://doi.org/10.3390/en16083380 SN - 1996-1073 N1 - This article belongs to the Special Issue "Advanced Solutions for the Efficient Integration of Electric Vehicles in Electricity Grids" N1 - Corresponding author: Florian Maurer VL - 16 IS - 8 PB - MDPI CY - Basel ER - TY - JOUR A1 - Ohrtmann, Jan-Peter A1 - Golland, Alexander T1 - Datenschutz & Datenrecht – ein Ausblick auf 2023: Gesetzgebungsverfahren auf EU-Ebene JF - DSB Datenschutz-Berater N2 - Die Verfasser stellen in ihrem Beitrag die künftig in Kraft tretenden oder schon in Kraft getretenen Gesetzesvorhaben der europäischen Union vor. Vorab werde auf die abgelaufene Frist zur Anpassung von Standardvertragsklausel hingewiesen. Die Anpassung könne ggf. durch den Data Privacy Act der Kommission bewirkt werden, da dieser eine Angemessenheit suggeriere. Neben dem Digital Markets Act, der die Wahrung der Diskriminierungsfreiheit den Gatekeeper-Plattformen bezüglich der Bewerbung von Waren Dritter vorschreibt, sind ebenfalls der Digital Service Act und der Data Governance Act in Kraft getreten und werden künftig wirksam. Letzteres bezweckt den Datenaustausch von nicht-personenbezogenen Daten öffentlich-rechtlicher Datensätze, wobei anders als bei DSA, der die Verbraucherrechte durchsetzen möchte, mangels Verpflichtung die praktische Umsetzung ausbleiben werde. In der Entwurfsphase stecken der Artificial Intelligence Act, der Data Act, sowie der Cyber Resilience Act. Allen drei sei wegen dem weiten Anwendungsspielraum, der Bußgeldandrohung oder der Cyber-Bedrohungslage besondere praktische Relevanz beizumessen. Die Kommission weite durch diese Gesetzesvorhaben ihre Regelungsabsicht auch auf nicht-personenbezogene Daten und dem Datentransfer aus. Im Ergebnis werden die Unternehmen mit mehr Verpflichtungen konfrontiert, zu dessen Umsetzung ein funktionierendes Compliance-Management-System unabdingbar sei. Y1 - 2023 VL - 2023 IS - 2 SP - 43 EP - 46 PB - Fachmedien Recht und Wirtschaft CY - Frankfurt am Main ER - TY - JOUR A1 - Grajewski, Matthias A1 - Kleefeld, Andreas T1 - Detecting and approximating decision boundaries in low-dimensional spaces JF - Numerical Algorithms N2 - A method for detecting and approximating fault lines or surfaces, respectively, or decision curves in two and three dimensions with guaranteed accuracy is presented. Reformulated as a classification problem, our method starts from a set of scattered points along with the corresponding classification algorithm to construct a representation of a decision curve by points with prescribed maximal distance to the true decision curve. Hereby, our algorithm ensures that the representing point set covers the decision curve in its entire extent and features local refinement based on the geometric properties of the decision curve. We demonstrate applications of our method to problems related to the detection of faults, to multi-criteria decision aid and, in combination with Kirsch’s factorization method, to solving an inverse acoustic scattering problem. In all applications we considered in this work, our method requires significantly less pointwise classifications than previously employed algorithms. KW - MCDA KW - Inverse scattering problem KW - Fault approximation KW - Fault detection Y1 - 2023 SN - 1572-9265 N1 - Corresponding author: Matthias Grajewski VL - 93 IS - 4 PB - Springer Science+Business Media CY - Dordrecht ER - TY - JOUR A1 - Böhnert, Arno A1 - Blaschke, Florian A1 - Biewendt, Marcel T1 - Impact of sustainability on the strategic direction of luxury companies JF - European Journal of Marketing and Economics N2 - Today’s society is undergoing a paradigm shift driven by the megatrend of sustainability. This undeniably affects all areas of Western life. This paper aims to find out how the luxury industry is dealing with this change and what adjustments are made by the companies. For this purpose, interviews were conducted with managers from the luxury industry, in which they were asked about specific measures taken by their companies as well as trends in the industry. In a subsequent evaluation, the trends in the luxury industry were summarized for the areas of ecological, social, and economic sustainability. It was found that the area of environmental sustainability is significantly more focused than the other sub-areas. Furthermore, the need for a customer survey to validate the industry-based measures was identified. KW - Operations KW - Brands KW - Luxury KW - Change Y1 - 2022 SN - 2601-8659 VL - 6 IS - 1 SP - 70 EP - 85 PB - Revistia CY - London ER - TY - JOUR A1 - Pfaff, Raphael A1 - Babilon, Katharina T1 - Railway Challenge - moderne Auflage der Rainhill Trials? JF - ETR - Eisenbahntechnische Rundschau N2 - Die IMechE Railway Challenge wird jährlich in Stapleford, Großbritannien ausgetragen. Im Rahmen der Challenge entwickeln und bauen Studierende eine Lokomotive und vergleichen sich in verschiedenen Disziplinen, darunter eine automatisierte Zielbremsung, optimale Energierückgewinnung beim Bremsen und minimale Geräuschemissionen. Neben diesen und weiteren technischen Wettbewerbsdisziplinen treten die Fahrzeuge und die Teams auch in nicht-technischen Disziplinen wie einer Business Case Challenge an. Y1 - 2023 SN - 0013-2845 N1 - Homepageveröffentlichung unbefristet genehmigt für Fachhochschule Aachen / Rechte für einzelne Downloads und Ausdrucke für Besucher der Seiten genehmigt / © DVV Media Group GmbH VL - 2023 IS - 4 SP - 55 EP - 58 PB - DVV Media Group CY - Hamburg 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 - Möhren, Felix A1 - Bergmann, Ole A1 - Janser, Frank A1 - Braun, Carsten T1 - On the influence of elasticity on propeller performance: a parametric study JF - CEAS Aeronautical Journal N2 - The aerodynamic performance of propellers strongly depends on their geometry and, consequently, on aeroelastic deformations. Knowledge of the extent of the impact is crucial for overall aircraft performance. An integrated simulation environment for steady aeroelastic propeller simulations is presented. The simulation environment is applied to determine the impact of elastic deformations on the aerodynamic propeller performance. The aerodynamic module includes a blade element momentum approach to calculate aerodynamic loads. The structural module is based on finite beam elements, according to Timoshenko theory, including moderate deflections. Several fixed-pitch propellers with thin-walled cross sections made of both isotropic and non-isotropic materials are investigated. The essential parameters are varied: diameter, disc loading, sweep, material, rotational, and flight velocity. The relative change of thrust between rigid and elastic blades quantifies the impact of propeller elasticity. Swept propellers of large diameters or low disc loadings can decrease the thrust significantly. High flight velocities and low material stiffness amplify this tendency. Performance calculations without consideration of propeller elasticity can lead to decreased efficiency. To avoid cost- and time-intense redesigns, propeller elasticity should be considered for swept planforms and low disc loadings. KW - Propeller KW - Finite element method KW - Blade element method KW - Propeller elasticity KW - Aeroelasticity Y1 - 2023 U6 - https://doi.org/10.1007/s13272-023-00649-y SN - 1869-5590 (Online) SN - 1869-5582 (Print) N1 - Corresponding author: Felix Möhren VL - 14 SP - 311 EP - 323 PB - Springer Nature CY - Berlin ER - TY - JOUR A1 - Bergmann, Ole A1 - Möhren, Felix A1 - Braun, Carsten A1 - Janser, Frank T1 - On the influence of elasticity on swept propeller noise JF - AIAA SCITECH 2023 Forum N2 - High aerodynamic efficiency requires propellers with high aspect ratios, while propeller sweep potentially reduces noise. Propeller sweep and high aspect ratios increase elasticity and coupling of structural mechanics and aerodynamics, affecting the propeller performance and noise. Therefore, this paper analyzes the influence of elasticity on forward-swept, backward-swept, and unswept propellers in hover conditions. A reduced-order blade element momentum approach is coupled with a one-dimensional Timoshenko beam theory and Farassat's formulation 1A. The results of the aeroelastic simulation are used as input for the aeroacoustic calculation. The analysis shows that elasticity influences noise radiation because thickness and loading noise respond differently to deformations. In the case of the backward-swept propeller, the location of the maximum sound pressure level shifts forward by 0.5 °, while in the case of the forward-swept propeller, it shifts backward by 0.5 °. Therefore, aeroacoustic optimization requires the consideration of propeller deformation. Y1 - 2023 U6 - https://doi.org/10.2514/6.2023-0210 N1 - Session: Propeller, Open Rotor, and Rotorcraft Noise II AIAA SCITECH 2023 Forum, 23-27 January 2023, National Harbor, MD & Online PB - AIAA CY - Reston, Va. ER - TY - JOUR A1 - Rhoden, Imke A1 - Ball, Christopher Stephen A1 - Grajewski, Matthias A1 - Kuckshinrich, Wilhelm T1 - Reverse engineering of stakeholder preferences – A multi-criteria assessment of the German passenger car sector JF - Renewable and Sustainable Energy Reviews N2 - Germany is a frontrunner in setting frameworks for the transition to a low-carbon system. The mobility sector plays a significant role in this shift, affecting different people and groups on multiple levels. Without acceptance from these stakeholders, emission targets are out of reach. This research analyzes how the heterogeneous preferences of various stakeholders align with the transformation of the mobility sector, looking at the extent to which the German transformation paths are supported and where stakeholders are located. Under the research objective of comparing stakeholders' preferences to identify which car segments require additional support for a successful climate transition, a status quo of stakeholders and car performance criteria is the foundation for the analysis. Stakeholders' hidden preferences hinder the derivation of criteria weightings from stakeholders; therefore, a ranking from observed preferences is used. This study's inverse multi-criteria decision analysis means that weightings can be predicted and used together with a recalibrated performance matrix to explore future preferences toward car segments. Results show that stakeholders prefer medium-sized cars, with the trend pointing towards the increased potential for alternative propulsion technologies and electrified vehicles. These insights can guide the improved targeting of policy supporting the energy and mobility transformation. Additionally, the method proposed in this work can fully handle subjective approaches while incorporating a priori information. A software implementation of the proposed method completes this work and is made publicly available. KW - Regionalization KW - Multi-criteria decision analysis KW - Preference assessment KW - E-Mobility KW - Mobility transition Y1 - 2023 U6 - https://doi.org/10.1016/j.rser.2023.113352 SN - 1364-0321 VL - 181 IS - July 2023 SP - Article number: 113352 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Vögele, Stefan A1 - Josyabhatla, Vishnu Teja A1 - Ball, Christopher Stephen A1 - Rhoden, Imke A1 - Grajewski, Matthias A1 - Rübbelke, Dirk A1 - Kuckshinrichs, Wilhelm T1 - Robust assessment of energy scenarios from stakeholders' perspectives JF - Energy N2 - Using scenarios is vital in identifying and specifying measures for successfully transforming the energy system. Such transformations can be particularly challenging and require the support of a broader set of stakeholders. Otherwise, there will be opposition in the form of reluctance to adopt the necessary technologies. Usually, processes for considering stakeholders' perspectives are very time-consuming and costly. In particular, there are uncertainties about how to deal with modifications in the scenarios. In principle, new consulting processes will be required. In our study, we show how multi-criteria decision analysis can be used to analyze stakeholders' attitudes toward transition paths. Since stakeholders differ regarding their preferences and time horizons, we employ a multi-criteria decision analysis approach to identify which stakeholders will support or oppose a transition path. We provide a flexible template for analyzing stakeholder preferences toward transition paths. This flexibility comes from the fact that our multi-criteria decision aid-based approach does not involve intensive empirical work with stakeholders. Instead, it involves subjecting assumptions to robustness analysis, which can help identify options to influence stakeholders' attitudes toward transitions. Y1 - 2023 U6 - https://doi.org/10.1016/j.energy.2023.128326 SN - 1873-6785 (Online) SN - 0360-5442 (Print) IS - In Press, Article 128326 PB - Elsevier CY - Amsterdam 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 - Mikucki, Jill Ann A1 - Schuler, C. G. A1 - Digel, Ilya A1 - Kowalski, Julia A1 - Tuttle, M. J. A1 - Chua, Michelle A1 - Davis, R. A1 - Purcell, Alicia A1 - Ghosh, D. A1 - Francke, G. A1 - Feldmann, Marco A1 - Espe, C. A1 - Heinen, Dirk A1 - Dachwald, Bernd A1 - Clemens, Joachim A1 - Lyons, W. B. A1 - Tulaczyk, S. T1 - Field-Based planetary protection operations for melt probes: validation of clean access into the blood falls, antarctica, englacial ecosystem JF - Astrobiology N2 - Subglacial environments on Earth offer important analogs to Ocean World targets in our solar system. These unique microbial ecosystems remain understudied due to the challenges of access through thick glacial ice (tens to hundreds of meters). Additionally, sub-ice collections must be conducted in a clean manner to ensure sample integrity for downstream microbiological and geochemical analyses. We describe the field-based cleaning of a melt probe that was used to collect brine samples from within a glacier conduit at Blood Falls, Antarctica, for geomicrobiological studies. We used a thermoelectric melting probe called the IceMole that was designed to be minimally invasive in that the logistical requirements in support of drilling operations were small and the probe could be cleaned, even in a remote field setting, so as to minimize potential contamination. In our study, the exterior bioburden on the IceMole was reduced to levels measured in most clean rooms, and below that of the ice surrounding our sampling target. Potential microbial contaminants were identified during the cleaning process; however, very few were detected in the final englacial sample collected with the IceMole and were present in extremely low abundances (∼0.063% of 16S rRNA gene amplicon sequences). This cleaning protocol can help minimize contamination when working in remote field locations, support microbiological sampling of terrestrial subglacial environments using melting probes, and help inform planetary protection challenges for Ocean World analog mission concepts. Y1 - 2023 U6 - https://doi.org/10.1089/ast.2021.0102 SN - 1557-8070 (online) SN - 153-1074 (print) VL - 23 IS - 11 SP - 1165 EP - 1178 PB - Liebert CY - New York, NY ER - TY - JOUR A1 - Wendlandt, Tim A1 - Koch, Claudia A1 - Britz, Beate A1 - Liedek, Anke A1 - Schmidt, Nora A1 - Werner, Stefan A1 - Gleba, Yuri A1 - Vahidpour, Farnoosh A1 - Welden, Melanie A1 - Poghossian, Arshak A1 - Schöning, Michael Josef T1 - Facile Purification and Use of Tobamoviral Nanocarriers for Antibody-Mediated Display of a Two-Enzyme System JF - Viruses N2 - Immunosorbent turnip vein clearing virus (TVCV) particles displaying the IgG-binding domains D and E of Staphylococcus aureus protein A (PA) on every coat protein (CP) subunit (TVCVPA) were purified from plants via optimized and new protocols. The latter used polyethylene glycol (PEG) raw precipitates, from which virions were selectively re-solubilized in reverse PEG concentration gradients. This procedure improved the integrity of both TVCVPA and the wild-type subgroup 3 tobamovirus. TVCVPA could be loaded with more than 500 IgGs per virion, which mediated the immunocapture of fluorescent dyes, GFP, and active enzymes. Bi-enzyme ensembles of cooperating glucose oxidase and horseradish peroxidase were tethered together on the TVCVPA carriers via a single antibody type, with one enzyme conjugated chemically to its Fc region, and the other one bound as a target, yielding synthetic multi-enzyme complexes. In microtiter plates, the TVCVPA-displayed sugar-sensing system possessed a considerably increased reusability upon repeated testing, compared to the IgG-bound enzyme pair in the absence of the virus. A high coverage of the viral adapters was also achieved on Ta2O5 sensor chip surfaces coated with a polyelectrolyte interlayer, as a prerequisite for durable TVCVPA-assisted electrochemical biosensing via modularly IgG-assembled sensor enzymes. KW - biosensor KW - horseradish peroxidase (HRP) KW - glucose oxidase (GOx) KW - enzyme cascade KW - turnip vein clearing virus (TVCV) KW - tobacco mosaic virus (TMV) Y1 - 2023 U6 - https://doi.org/doi.org/10.3390/v15091951 SN - 1999-4915 N1 - This article belongs to the Special Issue "Tobamoviruses 2023" VL - 9 IS - 15 PB - MDPI CY - Basel ER - TY - JOUR A1 - Sanchez-Cespedes, Lina Maria A1 - Leasure, Douglas Ryan A1 - Tejedor-Garavito, Natalia A1 - Amaya Cruz, Glenn Harry A1 - Garcia Velez, Gustavo Adolfo A1 - Mendoza Beltrán, Andryu Enrique A1 - Marín-Salazar, Yenny Andrea A1 - Esch, Thomas A1 - Tatem, Andrew J. A1 - Ospina Bohórquez, Mariana Francisca T1 - Social cartography and satellite-derived building coverage for post-census population estimates in difficult-to-access regions of Colombia JF - Population studies : a Journal of Demography N2 - Effective government services rely on accurate population numbers to allocate resources. In Colombia and globally, census enumeration is challenging in remote regions and where armed conflict is occurring. During census preparations, the Colombian National Administrative Department of Statistics conducted social cartography workshops, where community representatives estimated numbers of dwellings and people throughout their regions. We repurposed this information, combining it with remotely sensed buildings data and other geospatial data. To estimate building counts and population sizes, we developed hierarchical Bayesian models, trained using nearby full-coverage census enumerations and assessed using 10-fold cross-validation. We compared models to assess the relative contributions of community knowledge, remotely sensed buildings, and their combination to model fit. The Community model was unbiased but imprecise; the Satellite model was more precise but biased; and the Combination model was best for overall accuracy. Results reaffirmed the power of remotely sensed buildings data for population estimation and highlighted the value of incorporating local knowledge. KW - modelled population estimates KW - population and housing census KW - GIS KW - remote sensing KW - Bayesian statistics Y1 - 2023 U6 - https://doi.org/10.1080/00324728.2023.2190151 SN - 1477-4747 VL - 78 IS - 1 SP - 3 EP - 20 PB - Taylor & Francis CY - London ER -