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    An overview of descriptors to capture protein properties – Tools and perspectives in the context of QSAR modeling

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    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

    Social cartography and satellite-derived building coverage for post-census population estimates in difficult-to-access regions of Colombia

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    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

    Perspectives of aminoacylases in biocatalytic synthesis of N-acyl-amino acids surfactants

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    Many industrial processes are performed using harmful chemicals. The current technical synthesis of N-acyl-amino acids relies on acyl chlorides, which are typically obtained from phosgene chemistry. A greener alternative is the application of whole cells or enzymes to carry out synthesis in an environmentally friendly manner. Aminoacylases belong to the hydrolase family and the resolution of racemic mixtures of N-acetyl-amino acids is a well-known industrial process. Several new enzymes accepting long-chain fatty acids as substrates were discovered in recent years. This article reviews the synthetic potential of aminoacylases to produce biobased N-acyl-amino acid surfactants. The focus lays on a survey of the different types of aminoacylases available for synthesis and their reaction products. The enzymes are categorized according to their protein family classification and their biochemical characteristics including substrate spectra, reaction optima and process stability, both in hydrolysis and under process conditions suitable for synthesis. Finally, the benefits and future challenges of enzymatic N-acyl-amino acid synthesis with aminoacylases will be discussed

    Ordnung zur Änderung der Wahlordnung der FH Aachen

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    drop. : Entwicklung eines Lab-on-Chip-Geräts für die Telemedizin zur Point-of-Care-Diagnostik

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    drop. ist ein tragbares Blutanalysegerät für die patientennahe Sofortdiagnostik. Es misst Blutparameter wie Cholesterin, Blutzucker, Kreatinin und weitere Blutwerte schnell und genau aus Kapillarblut. Das Lab-on-Chip-Gerät ist für die Heimanwendung konzipiert und kann von Patient:innen selbst zu Hause angewendet werden. Es ermöglicht komplexe Laboranalysen auf einem einzigen Mikrochip und bietet eine effiziente und kostengünstige Diagnostik. In Kombination mit einer mobilen Anwendung kann das Gerät die Gesundheitsversorgung verbessern, indem die Testergebnisse an medizinisches Fachpersonal übermittelt werden und Nutzer:innen bei der Interpretation der Blutwerte unterstützt werden. Dies fördert die Früherkennung von Krankheiten und die Überwachung chronischer Zustände. Dadurch kann schnell auf gesundheitliche Probleme reagiert und notwendige Maßnahmen ergriffen werden, besonders in Regionen mit begrenztem Zugang zu medizinischen Einrichtungen

    Critical quantitative evaluation of integrated health management methods for fuel cell applications

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    Online fault diagnostics is a crucial consideration for fuel cell systems, particularly in mobile applications, to limit downtime and degradation, and to increase lifetime. Guided by a critical literature review, in this paper an overview of Health management systems classified in a scheme is presented, introducing commonly utilised methods to diagnose FCs in various applications. In this novel scheme, various Health management system methods are summarised and structured to provide an overview of existing systems including their associated tools. These systems are classified into four categories mainly focused on model-based and non-model-based systems. The individual methods are critically discussed when used individually or combined aimed at further understanding their functionality and suitability in different applications. Additionally, a tool is introduced to evaluate methods from each category based on the scheme presented. This tool applies the technique of matrix evaluation utilising several key parameters to identify the most appropriate methods for a given application. Based on this evaluation, the most suitable methods for each specific application are combined to build an integrated Health management system

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