TY - JOUR A1 - Kiemel, Katrin A1 - Gurke, Marie A1 - Paraskevopoulou, Sofia A1 - Havenstein, Katja A1 - Weithoff, Guntram A1 - Tiedemann, Ralph T1 - Variation in heat shock protein 40 kDa relates to divergence in thermotolerance among cryptic rotifer species JF - Scientific reports N2 - Genetic divergence and the frequency of hybridization are central for defining species delimitations, especially among cryptic species where morphological differences are merely absent. Rotifers are known for their high cryptic diversity and therefore are ideal model organisms to investigate such patterns. Here, we used the recently resolved Brachionus calyciflorus species complex to investigate whether previously observed between species differences in thermotolerance and gene expression are also reflected in their genomic footprint. We identified a Heat Shock Protein gene (HSP 40 kDa) which exhibits cross species pronounced sequence variation. This gene exhibits species-specific fixed sites, alleles, and sites putatively under positive selection. These sites are located in protein binding regions involved in chaperoning and may therefore reflect adaptive diversification. By comparing three genetic markers (ITS, COI, HSP 40 kDa), we revealed hybridization events between the cryptic species. The low frequency of introgressive haplotypes/alleles suggest a tight, but not fully impermeable boundary between the cryptic species. Y1 - 2022 U6 - https://doi.org/10.1038/s41598-022-27137-3 SN - 2045-2322 VL - 12 IS - 1 PB - Macmillan Publishers Limited CY - London ER - TY - JOUR A1 - Kiemel, Katrin A1 - Gurke, Marie A1 - Paraskevopoulou, Sofia A1 - Havenstein, Katja A1 - Weithoff, Guntram A1 - Tiedemann, Ralph T1 - Variation in heat shock protein 40 kDa relates to divergence in thermotolerance among cryptic rotifer species JF - Scientific Reports N2 - Genetic divergence and the frequency of hybridization are central for defining species delimitations, especially among cryptic species where morphological differences are merely absent. Rotifers are known for their high cryptic diversity and therefore are ideal model organisms to investigate such patterns. Here, we used the recently resolved Brachionus calyciflorus species complex to investigate whether previously observed between species differences in thermotolerance and gene expression are also reflected in their genomic footprint. We identified a Heat Shock Protein gene (HSP 40 kDa) which exhibits cross species pronounced sequence variation. This gene exhibits species-specific fixed sites, alleles, and sites putatively under positive selection. These sites are located in protein binding regions involved in chaperoning and may therefore reflect adaptive diversification. By comparing three genetic markers (ITS, COI, HSP 40 kDa), we revealed hybridization events between the cryptic species. The low frequency of introgressive haplotypes/alleles suggest a tight, but not fully impermeable boundary between the cryptic species. Y1 - 2022 U6 - https://doi.org/10.1038/s41598-022-27137-3 SN - 2045-2322 VL - 12 PB - Springer Nature CY - London ER - TY - JOUR A1 - Fanselow, Gisbert A1 - Zimmermann, Malte A1 - Philipp, Mareike T1 - Assessing the availability of inverse scope in German in the covered box paradigm JF - Glossa : a journal of general linguistics N2 - This paper presents the results of a novel experimental approach to relative quantifier scope in German that elicits data in an indirect manner. Applying the covered-box method (Huang et al. 2013) to scope phenomena, we show that inverse scope is available to some extent in the free constituent order language German, thereby validating earlier findings on other syntactic configurations in German (Rado & Bott 2018) and empirical claims on other free constituent order languages (Japanese, Russian, Hindi), as well as recent corpus findings in Webelhuth (2020). Moreover, the results of the indirect covered-box experiment replicate findings from an earlier direct-query experiment with comparable target items, in which participants were asked directly about the availability of surface scope and inverse scope readings. The configuration of interest consisted of canonical transitive clauses with deaccented existential subject and universal object QPs, in which the restriction of the universal QP was controlled for by the context. KW - inverse scope KW - covered-box KW - free constituent order KW - German KW - experimental semantics Y1 - 2022 U6 - https://doi.org/10.16995/glossa.5766 SN - 2397-1835 VL - 7 IS - 1 SP - 1 EP - 24 PB - Open Library of Humanities CY - London ER - TY - JOUR A1 - Wippert, Pia-Maria A1 - Puerto Valencia, Laura A1 - Drießlein, David T1 - Stress and pain BT - predictive (neuro)pattern identification for chronic back pain ; a longitudinal observational study JF - Frontiers in medicine N2 - Introduction: Low back pain (LBP) leads to considerable impairment of quality of life worldwide and is often accompanied by psychosomatic symptoms. Objectives: First, to assess the association between stress and chronic low back pain (CLBP) and its simultaneous appearance with fatigue and depression as a symptom triad. Second, to identify the most predictive stress-related pattern set for CLBP for a 1-year diagnosis. Methods: In a 1-year observational study with four measurement points, a total of 140 volunteers (aged 18–45 years with intermittent pain) were recruited. The primary outcomes were pain [characteristic pain intensity (CPI), subjective pain disability (DISS)], fatigue, and depressive mood. Stress was assessed as chronic stress, perceived stress, effort reward imbalance, life events, and physiological markers [allostatic load index (ALI), hair cortisol concentration (HCC)]. Multiple linear regression models and selection procedures for model shrinkage and variable selection (least absolute shrinkage and selection operator) were applied. Prediction accuracy was calculated by root mean squared error (RMSE) and receiver-operating characteristic curves. Results: There were 110 participants completed the baseline assessments (28.2 7.5 years, 38.1% female), including HCC, and a further of 46 participants agreed to ALI laboratory measurements. Different stress types were associated with LBP, CLBP, fatigue, and depressive mood and its joint occurrence as a symptom triad at baseline; mainly social-related stress types were of relevance. Work-related stress, such as “excessive demands at work”[b = 0.51 (95%CI -0.23, 1.25), p = 0.18] played a role for upcoming chronic pain disability. “Social overload” [b = 0.45 (95%CI -0.06, 0.96), p = 0.080] and “over-commitment at work” [b = 0.28 (95%CI -0.39, 0.95), p = 0.42] were associated with an upcoming depressive mood within 1-year. Finally, seven psychometric (CPI: RMSE = 12.63; DISS: RMSE = 9.81) and five biomarkers (CPI: RMSE = 12.21; DISS: RMSE = 8.94) could be derived as the most predictive pattern set for a 1-year prediction of CLBP. The biomarker set showed an apparent area under the curve of 0.88 for CPI and 0.99 for DISS. Conclusion: Stress disrupts allostasis and favors the development of chronic pain, fatigue, and depression and the emergence of a “hypocortisolemic symptom triad,” whereby the social-related stressors play a significant role. For translational medicine, a predictive pattern set could be derived which enables to diagnose the individuals at higher risk for the upcoming pain disorders and can be used in practice. KW - allostatic load index KW - hair cortisol KW - low back pain KW - psychosocial moderators KW - hypocortisolemic symptom triad KW - stress types Y1 - 2022 U6 - https://doi.org/10.3389/fmed.2022.828954 SN - 2296-858X VL - 9 PB - Frontiers Media CY - Lausanne, Schweiz ER - TY - JOUR A1 - Braun, Jean T1 - Comparing the transport-limited and ξ-q models for sediment transport JF - Earth surface dynamics N2 - Here I present a comparison between two of the most widely used reduced-complexity models for the representation of sediment transport and deposition processes, namely the transport-limited (or TL) model and the under-capacity (or xi-q) model more recently developed by Davy and Lague (2009). Using both models, I investigate the behavior of a sedimentary continental system of length L fed by a fixed sedimentary flux from a catchment of size A(0) in a nearby active orogen through which sediments transit to a fixed base level representing a large river, a lake or an ocean. This comparison shows that the two models share the same steady-state solution, for which I derive a simple 1D analytical expression that reproduces the major features of such sedimentary systems: a steep fan that connects to a shallower alluvial plain. The resulting fan geometry obeys basic observational constraints on fan size and slope with respect to the upstream drainage area, A(0). The solution is strongly dependent on the size of the system, L, in comparison to a distance L-0, which is determined by the size of A(0), and gives rise to two fundamentally different types of sedimentary systems: a constrained system where L < L-0 and open systems where L > L-0. I derive simple expressions that show the dependence of the system response time on the system characteristics, such as its length, the size of the upstream catchment area, the amplitude of the incoming sedimentary flux and the respective rate parameters (diffusivity or erodibility) for each of the two models. I show that the xi-q model predicts longer response times. I demonstrate that although the manner in which signals propagates through the sedimentary system differs greatly between the two models, they both predict that perturbations that last longer than the response time of the system can be recorded in the stratigraphy of the sedimentary system and in particular of the fan. Interestingly, the xi-q model predicts that all perturbations in the incoming sedimentary flux will be transmitted through the system, whereas the TL model predicts that rapid perturbations cannot. I finally discuss why and under which conditions these differences are important and propose observational ways to determine which of the two models is most appropriate to represent natural systems. Y1 - 2022 U6 - https://doi.org/10.5194/esurf-10-301-2022 SN - 2196-6311 SN - 2196-632X VL - 10 IS - 2 SP - 301 EP - 327 PB - Copernicus CY - Göttingen ER - TY - JOUR A1 - Chea, Sany A1 - Nguyen, Khac Toan A1 - Rosencrantz, Ruben R. T1 - Microwave-Assisted Synthesis of 5 '-O-methacryloylcytidine Using the Immobilized Lipase Novozym 435 JF - Molecules N2 - Nucleobase building blocks have been demonstrated to be strong candidates when it comes to DNA/RNA-like materials by benefiting from hydrogen bond interactions as physical properties. Modifying at the 5 ' position is the simplest way to develop nucleobase-based structures by transesterification using the lipase Novozym 435. Herein, we describe the optimization of the lipase-catalyzed synthesis of the monomer 5 '-O-methacryloylcytidine with the assistance of microwave irradiation. Variable reaction parameters, such as enzyme concentration, molar ratio of the substrate, reaction temperature and reaction time, were investigated to find the optimum reaction condition in terms of obtaining the highest yield. KW - microwave irradiation KW - Novozym 435 KW - cytidine KW - monomer KW - smart materials Y1 - 2022 U6 - https://doi.org/10.3390/molecules27134112 SN - 1420-3049 VL - 27 IS - 13 PB - MDPI CY - Basel ER - TY - JOUR A1 - Knoche, Lisa A1 - Lisec, Jan A1 - Schwerdtle, Tanja A1 - Koch, Matthias T1 - LC-HRMS-Based identification of transformation products of the drug salinomycin generated by electrochemistry and liver microsome JF - Antibiotics N2 - The drug salinomycin (SAL) is a polyether antibiotic and used in veterinary medicine as coccidiostat and growth promoter. Recently, SAL was suggested as a potential anticancer drug. However, transformation products (TPs) resulting from metabolic and environmental degradation of SAL are incompletely known and structural information is missing. In this study, we therefore systematically investigated the formation and identification of SAL derived TPs using electrochemistry (EC) in an electrochemical reactor and rat and human liver microsome incubation (RLM and HLM) as TP generating methods. Liquid chromatography (LC) coupled to high-resolution mass spectrometry (HRMS) was applied to determine accurate masses in a suspected target analysis to identify TPs and to deduce occurring modification reactions of derived TPs. A total of 14 new, structurally different TPs were found (two EC-TPs, five RLM-TPs, and 11 HLM-TPs). The main modification reactions are decarbonylation for EC-TPs and oxidation (hydroxylation) for RLM/HLM-TPs. Of particular interest are potassium-based TPs identified after liver microsome incubation because these might have been overlooked or declared as oxidated sodium adducts in previous, non-HRMS-based studies due to the small mass difference between K and O + Na of 21 mDa. The MS fragmentation pattern of TPs was used to predict the position of identified modifications in the SAL molecule. The obtained knowledge regarding transformation reactions and novel TPs of SAL will contribute to elucidate SAL-metabolites with regards to structural prediction. KW - salinomycin KW - ionophore antibiotics KW - transformation product KW - electrochemistry KW - rat KW - human liver microsomes KW - HRMS Y1 - 2022 U6 - https://doi.org/10.3390/antibiotics11020155 SN - 2079-6382 VL - 11 IS - 2 PB - MDPI CY - Basel ER - TY - JOUR A1 - Munnes, Stefan A1 - Harsch, Corinna A1 - Knobloch, Marcel A1 - Vogel, Johannes S. A1 - Hipp, Lena A1 - Schilling, Erik T1 - Examining Sentiment in Complex Texts. A Comparison of Different Computational Approaches JF - Frontiers in Big Data N2 - Can we rely on computational methods to accurately analyze complex texts? To answer this question, we compared different dictionary and scaling methods used in predicting the sentiment of German literature reviews to the "gold standard " of human-coded sentiments. Literature reviews constitute a challenging text corpus for computational analysis as they not only contain different text levels-for example, a summary of the work and the reviewer's appraisal-but are also characterized by subtle and ambiguous language elements. To take the nuanced sentiments of literature reviews into account, we worked with a metric rather than a dichotomous scale for sentiment analysis. The results of our analyses show that the predicted sentiments of prefabricated dictionaries, which are computationally efficient and require minimal adaption, have a low to medium correlation with the human-coded sentiments (r between 0.32 and 0.39). The accuracy of self-created dictionaries using word embeddings (both pre-trained and self-trained) was considerably lower (r between 0.10 and 0.28). Given the high coding intensity and contingency on seed selection as well as the degree of data pre-processing of word embeddings that we found with our data, we would not recommend them for complex texts without further adaptation. While fully automated approaches appear not to work in accurately predicting text sentiments with complex texts such as ours, we found relatively high correlations with a semiautomated approach (r of around 0.6)-which, however, requires intensive human coding efforts for the training dataset. In addition to illustrating the benefits and limits of computational approaches in analyzing complex text corpora and the potential of metric rather than binary scales of text sentiment, we also provide a practical guide for researchers to select an appropriate method and degree of pre-processing when working with complex texts. KW - sentiment analysis KW - German literature KW - dictionary KW - word embeddings KW - automated text analysis KW - computer-assisted text analysis KW - scaling method Y1 - 2022 U6 - https://doi.org/10.3389/fdata.2022.886362 SN - 2624-909X VL - 5 PB - Frontiers Media CY - Lausanne ER - TY - JOUR A1 - Sieg, Tobias A1 - Thieken, Annegret T1 - Improving flood impact estimations JF - Environmental research letters N2 - A reliable estimation of flood impacts enables meaningful flood risk management and rapid assessments of flood impacts shortly after a flood. The flood in 2021 in Central Europe and the analysis of its impacts revealed that these estimations are still inadequate. Therefore, we investigate the influence of different data sets and methods aiming to improve flood impact estimates. We estimated economic flood impacts to private households and companies for a flood event in 2013 in Germany using (a) two different flood maps, (b) two approaches to map exposed objects based on OpenStreetMap and the Basic European Asset Map, (c) two different approaches to estimate asset values, and (d) tree-based models and Stage-Damage-Functions to describe the vulnerability. At the macro scale, water masks lead to reasonable impact estimations. At the micro and meso-scale, the identification of affected objects by means of water masks is insufficient leading to unreliable estimations. The choice of exposure data sets is most influential on the estimations. We find that reliable impact estimations are feasible with reported numbers of flood-affected objects from the municipalities. We conclude that more effort should be put in the investigation of different exposure data sets and the estimation of asset values. Furthermore, we recommend the establishment of a reporting system in the municipalities for a fast identification of flood-affected objects shortly after an event. KW - rapid impact assessment KW - floods KW - OpenStreetMap KW - flood risk management KW - natural hazards Y1 - 2022 U6 - https://doi.org/10.1088/1748-9326/ac6d6c SN - 1748-9326 VL - 17 IS - 6 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Heinsohn, Natascha Katharina A1 - Niedl, Robert Raimund A1 - Anielski, Alexander A1 - Lisdat, Fred A1 - Beta, Carsten T1 - Electrophoretic mu PAD for purification and analysis of DNA samples JF - Biosensors : open access journal N2 - In this work, the fabrication and characterization of a simple, inexpensive, and effective microfluidic paper analytic device (mu PAD) for monitoring DNA samples is reported. The glass microfiber-based chip has been fabricated by a new wax-based transfer-printing technique and an electrode printing process. It is capable of moving DNA effectively in a time-dependent fashion. The nucleic acid sample is not damaged by this process and is accumulated in front of the anode, but not directly on the electrode. Thus, further DNA processing is feasible. The system allows the DNA to be purified by separating it from other components in sample mixtures such as proteins. Furthermore, it is demonstrated that DNA can be moved through several layers of the glass fiber material. This proof of concept will provide the basis for the development of rapid test systems, e.g., for the detection of pathogens in water samples. KW - microfluidic paper analytic device (mu PAD) KW - patterning glass microfiber KW - fiber-electrophoresis chip KW - DNA KW - imprinted electrodes KW - cross layer chip KW - polymerase chain reaction (PCR) KW - purification Y1 - 2022 U6 - https://doi.org/10.3390/bios12020062 SN - 2079-6374 VL - 12 IS - 2 PB - MDPI CY - Basel ER - TY - JOUR A1 - Li, Zhen A1 - Spangenberg, Erik A1 - Schicks, Judith Maria A1 - Kempka, Thomas T1 - Numerical simulation of hydrate formation in the LArge-Scale Reservoir Simulator (LARS) JF - Energies : open-access journal of related scientific research, technology development and studies in policy and management N2 - The LArge-scale Reservoir Simulator (LARS) has been previously developed to study hydrate dissociation in hydrate-bearing systems under in-situ conditions. In the present study, a numerical framework of equations of state describing hydrate formation at equilibrium conditions has been elaborated and integrated with a numerical flow and transport simulator to investigate a multi-stage hydrate formation experiment undertaken in LARS. A verification of the implemented modeling framework has been carried out by benchmarking it against another established numerical code. Three-dimensional (3D) model calibration has been performed based on laboratory data available from temperature sensors, fluid sampling, and electrical resistivity tomography. The simulation results demonstrate that temperature profiles, spatial hydrate distribution, and bulk hydrate saturation are consistent with the observations. Furthermore, our numerical framework can be applied to calibrate geophysical measurements, optimize post-processing workflows for monitoring data, improve the design of hydrate formation experiments, and investigate the temporal evolution of sub-permafrost methane hydrate reservoirs. KW - methane hydrate KW - temperature sensor KW - electrical resistivity tomography KW - hydrate formation KW - numerical simulation Y1 - 2022 U6 - https://doi.org/10.3390/en15061974 SN - 1996-1073 VL - 15 IS - 6 PB - MDPI CY - Basel ER - TY - JOUR A1 - Aga-Barfknecht, Heja A1 - Soultoukis, George A. A1 - Stadion, Mandy A1 - Garcia-Carrizo, Francisco A1 - Jähnert, Markus A1 - Gottmann, Pascal A1 - Vogel, Heike A1 - Schulz, Tim Julius A1 - Schürmann, Annette T1 - Distinct adipogenic and fibrogenic differentiation capacities of mesenchymal stromal cells from pancreas and white adipose tissue JF - International journal of molecular sciences N2 - Pancreatic steatosis associates with beta-cell failure and may participate in the development of type-2-diabetes. Our previous studies have shown that diabetes-susceptible mice accumulate more adipocytes in the pancreas than diabetes-resistant mice. In addition, we have demonstrated that the co-culture of pancreatic islets and adipocytes affect insulin secretion. The aim of this current study was to elucidate if and to what extent pancreas-resident mesenchymal stromal cells (MSCs) with adipogenic progenitor potential differ from the corresponding stromal-type cells of the inguinal white adipose tissue (iWAT). miRNA (miRNome) and mRNA expression (transcriptome) analyses of MSCs isolated by flow cytometry of both tissues revealed 121 differentially expressed miRNAs and 1227 differentially expressed genes (DEGs). Target prediction analysis estimated 510 DEGs to be regulated by 58 differentially expressed miRNAs. Pathway analyses of DEGs and miRNA target genes showed unique transcriptional and miRNA signatures in pancreas (pMSCs) and iWAT MSCs (iwatMSCs), for instance fibrogenic and adipogenic differentiation, respectively. Accordingly, iwatMSCs revealed a higher adipogenic lineage commitment, whereas pMSCs showed an elevated fibrogenesis. As a low degree of adipogenesis was also observed in pMSCs of diabetes-susceptible mice, we conclude that the development of pancreatic steatosis has to be induced by other factors not related to cell-autonomous transcriptomic changes and miRNA-based signals. KW - MSCs KW - fatty pancreas KW - WAT KW - lineage commitment KW - transcriptomics KW - miRNAs Y1 - 2022 U6 - https://doi.org/10.3390/ijms23042108 SN - 1422-0067 VL - 23 IS - 4 PB - Molecular Diversity Preservation International CY - Basel ER - TY - JOUR A1 - Deusdará-Leal, Karinne A1 - Samprogna Mohor, Guilherme A1 - Cuartas, Luz Adriana A1 - Seluchi, Marcelo E. A1 - Marengo, Jose A. A1 - Zhang, Rong A1 - Broedel, Elisangela A1 - Amore, Diogo de Jesus A1 - Alvalá, Regina C. S. A1 - Cunha, Ana Paula M. A. A1 - Gonçalves, José A. C. T1 - Trends and climate elasticity of streamflow in south-eastern Brazil basins JF - Water N2 - Trends in streamflow, rainfall and potential evapotranspiration (PET) time series, from 1970 to 2017, were assessed for five important hydrological basins in Southeastern Brazil. The concept of elasticity was also used to assess the streamflow sensitivity to changes in climate variables, for annual data and 5-, 10- and 20-year moving averages. Significant negative trends in streamflow and rainfall and significant increasing trend in PET were detected. For annual analysis, elasticity revealed that 1% decrease in rainfall resulted in 1.21-2.19% decrease in streamflow, while 1% increase in PET induced different reductions percentages in streamflow, ranging from 2.45% to 9.67%. When both PET and rainfall were computed to calculate the elasticity, results were positive for some basins. Elasticity analysis considering 20-year moving averages revealed that impacts on the streamflow were cumulative: 1% decrease in rainfall resulted in 1.83-4.75% decrease in streamflow, while 1% increase in PET induced 3.47-28.3% decrease in streamflow. This different temporal response may be associated with the hydrological memory of the basins. Streamflow appears to be more sensitive in less rainy basins. This study provides useful information to support strategic government decisions, especially when the security of water resources and drought mitigation are considered in face of climate change. KW - runoff KW - precipitation KW - potential evapotranspiration KW - Pettitt test KW - sensitivity Y1 - 2022 U6 - https://doi.org/10.3390/w14142245 SN - 2073-4441 VL - 14 IS - 14 PB - MDPI CY - Basel ER - TY - JOUR A1 - Sagu Tchewonpi, Sorel A1 - Huschek, Gerd A1 - Waldbach Braga, Tess A1 - Rackiewicz, Michal A1 - Homann, Thomas A1 - Rawel, Harshadrai Manilal T1 - Design of Experiment (DoE) for Optimization of HPLC Conditions for the Simultaneous Fractionation of Seven α-Amylase/Trypsin Inhibitors from Wheat (Triticum aestivum L.) JF - Processes : open access journal N2 - Wheat alpha-amylase/trypsin inhibitors remain a subject of interest considering the latest findings showing their implication in wheat-related non-celiac sensitivity (NCWS). Understanding their functions in such a disorder is still unclear and for further study, the need for pure ATI molecules is one of the limiting problems. In this work, a simplified approach based on the successive fractionation of ATI extracts by reverse phase and ion exchange chromatography was developed. ATIs were first extracted from wheat flour using a combination of Tris buffer and chloroform/methanol methods. The separation of the extracts on a C18 column generated two main fractions of interest F1 and F2. The response surface methodology with the Doehlert design allowed optimizing the operating parameters of the strong anion exchange chromatography. Finally, the seven major wheat ATIs namely P01083, P17314, P16850, P01085, P16851, P16159, and P83207 were recovered with purity levels (according to the targeted LC-MS/MS analysis) of 98.2 ± 0.7; 98.1 ± 0.8; 97.9 ± 0.5; 95.1 ± 0.8; 98.3 ± 0.4; 96.9 ± 0.5, and 96.2 ± 0.4%, respectively. MALDI-TOF-MS analysis revealed single peaks in each of the pure fractions and the mass analysis yielded deviations of 0.4, 1.9, 0.1, 0.2, 0.2, 0.9, and 0.1% between the theoretical and the determined masses of P01083, P17314, P16850, P01085, P16851, P16159, and P83207, respectively. Overall, the study allowed establishing an efficient purification process of the most important wheat ATIs. This paves the way for further in-depth investigation of the ATIs to gain more knowledge related to their involvement in NCWS disease and to allow the absolute quantification in wheat samples. KW - wheat KW - α-amylase/trypsin inhibitors KW - fractionation KW - purification KW - reversed-phase chromatography KW - ion-exchange chromatography KW - design of experiment KW - LC–MS/MS KW - MALDI-TOF-MS Y1 - 2022 U6 - https://doi.org/10.3390/pr10020259 SN - 2227-9717 VL - 10 SP - 1 EP - 18 PB - MDPI CY - Basel, Schweiz ET - 2 ER - TY - JOUR A1 - Prasse, Paul A1 - Iversen, Pascal A1 - Lienhard, Matthias A1 - Thedinga, Kristina A1 - Bauer, Christopher A1 - Herwig, Ralf A1 - Scheffer, Tobias T1 - Matching anticancer compounds and tumor cell lines by neural networks with ranking loss JF - NAR: genomics and bioinformatics N2 - Computational drug sensitivity models have the potential to improve therapeutic outcomes by identifying targeted drug components that are likely to achieve the highest efficacy for a cancer cell line at hand at a therapeutic dose. State of the art drug sensitivity models use regression techniques to predict the inhibitory concentration of a drug for a tumor cell line. This regression objective is not directly aligned with either of these principal goals of drug sensitivity models: We argue that drug sensitivity modeling should be seen as a ranking problem with an optimization criterion that quantifies a drug's inhibitory capacity for the cancer cell line at hand relative to its toxicity for healthy cells. We derive an extension to the well-established drug sensitivity regression model PaccMann that employs a ranking loss and focuses on the ratio of inhibitory concentration and therapeutic dosage range. We find that the ranking extension significantly enhances the model's capability to identify the most effective anticancer drugs for unseen tumor cell profiles based in on in-vitro data. Y1 - 2022 U6 - https://doi.org/10.1093/nargab/lqab128 SN - 2631-9268 VL - 4 IS - 1 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Hoffmann, Julia A1 - Hölker, Franz A1 - Eccard, Jana T1 - Welcome to the dark side BT - partial nighttime illumination affects night-and daytime foraging behavior of a small mammal JF - Frontiers in ecology and evolution N2 - Differences in natural light conditions caused by changes in moonlight are known to affect perceived predation risk in many nocturnal prey species. As artificial light at night (ALAN) is steadily increasing in space and intensity, it has the potential to change movement and foraging behavior of many species as it might increase perceived predation risk and mask natural light cycles. We investigated if partial nighttime illumination leads to changes in foraging behavior during the night and the subsequent day in a small mammal and whether these changes are related to animal personalities. We subjected bank voles to partial nighttime illumination in a foraging landscape under laboratory conditions and in large grassland enclosures under near natural conditions. We measured giving-up density of food in illuminated and dark artificial seed patches and video recorded the movement of animals. While animals reduced number of visits to illuminated seed patches at night, they increased visits to these patches at the following day compared to dark seed patches. Overall, bold individuals had lower giving-up densities than shy individuals but this difference increased at day in formerly illuminated seed patches. Small mammals thus showed carry-over effects on daytime foraging behavior due to ALAN, i.e., nocturnal illumination has the potential to affect intra- and interspecific interactions during both night and day with possible changes in personality structure within populations and altered predator-prey dynamics. KW - light pollution KW - inter-individual differences KW - animal personality KW - Myodes glareolus KW - ALAN Y1 - 2022 U6 - https://doi.org/10.3389/fevo.2021.779825 SN - 2296-701X VL - 9 PB - Frontiers Media CY - Lausanne ER - TY - JOUR A1 - Li, Zhen A1 - Spangenberg, Erik A1 - Schicks, Judith Maria A1 - Kempka, Thomas T1 - Numerical Simulation of Coastal Sub-Permafrost Gas Hydrate Formation in the Mackenzie Delta, Canadian Arctic JF - Energies N2 - The Mackenzie Delta (MD) is a permafrost-bearing region along the coasts of the Canadian Arctic which exhibits high sub-permafrost gas hydrate (GH) reserves. The GH occurring at the Mallik site in the MD is dominated by thermogenic methane (CH4), which migrated from deep conventional hydrocarbon reservoirs, very likely through the present fault systems. Therefore, it is assumed that fluid flow transports dissolved CH4 upward and out of the deeper overpressurized reservoirs via the existing polygonal fault system and then forms the GH accumulations in the Kugmallit-Mackenzie Bay Sequences. We investigate the feasibility of this mechanism with a thermo-hydraulic-chemical numerical model, representing a cross section of the Mallik site. We present the first simulations that consider permafrost formation and thawing, as well as the formation of GH accumulations sourced from the upward migrating CH4-rich formation fluid. The simulation results show that temperature distribution, as well as the thickness and base of the ice-bearing permafrost are consistent with corresponding field observations. The primary driver for the spatial GH distribution is the permeability of the host sediments. Thus, the hypothesis on GH formation by dissolved CH4 originating from deeper geological reservoirs is successfully validated. Furthermore, our results demonstrate that the permafrost has been substantially heated to 0.8-1.3 degrees C, triggered by the global temperature increase of about 0.44 degrees C and further enhanced by the Arctic Amplification effect at the Mallik site from the early 1970s to the mid-2000s. KW - gas hydrate KW - permafrost KW - methane KW - faults KW - climate change KW - Mallik KW - numerical simulations Y1 - 2022 U6 - https://doi.org/10.3390/en15144986 SN - 1996-1073 VL - 15 IS - 14 PB - MDPI CY - Basel ER - TY - THES A1 - Nguyen, Huyen Evelyn T1 - Agilität und Führungskräfte-Mitarbeiter-Beziehung in der öffentlichen Verwaltung T1 - Agility and leader-member-exchange in public administration N2 - Zunehmend komplexe Herausforderungen und Aufgaben lassen sich nicht mehr mit den bisherigen Strukturen, Methoden und Prozessen der klassischen Verwaltung bewältigen. Vielmehr gewinnen Ansätze und Methoden des New Work im öffentlichen Sektor angesichts der sich stetig ändernden und dynamischen Arbeitswelt eine immer größere Bedeutung. Umso mehr besteht die Notwendigkeit, sich in der Verwaltung agil aufzustellen. Unter Agilität wird hierbei die Fähigkeit einer Organisation verstanden, sich schnell verändernden Rahmenbedingungen flexibel und dynamisch anzupassen. Im Fokus dieser Arbeit steht der Einfluss von Agilität auf die Führungskräfte-Mitarbeiter-Beziehung. Mittels einer halbstandardisierten Online-Befragung im Landesamt für Flüchtlingsangelegenheiten und im Bezirksamt Neukölln von Berlin wird zunächst der vorliegende Agilitätsgrad mit dem Fokus auf agile Organisationsstrukturen, agile Organisationskultur und agile Führung ermittelt und sodann anhand der Qualität der dyadischen Arbeitsbeziehung von Führungskraft und Mitarbeiter (LMX-Qualität) überprüft, inwiefern die agile Arbeitsweise im Vergleich zu einer nicht-agilen Arbeitsumgebung die Beziehung beeinflusst. Im Ergebnis der Untersuchung zeigt sich, dass ein positiver Zusammenhang zwischen Agilität und der Führungskräfte-Mitarbeiter-Beziehung besteht. Es stellt sich in beiden Ämtern ein mäßig bis starker Agilitätsgrad heraus, wobei besonders agile Führungseigenschaften zu den wesentlichen Faktoren zählen, die eine hochqualitative Beziehung begünstigen. Während im Bezirksamt ein Zusammenhang zwischen Agilität und hoher LMX-Qualität ermittelt wurde, konnte dieser nicht für die untersuchte Stichprobe des Landesamts festgestellt werden. Dennoch ließ sich in beiden Behörden ein positiver Einfluss von Agilität auf zumindest die Entwicklung einer erfolgreichen Führungskräfte-Mitarbeiter-Beziehung erfassen. N2 - Continuous complex challenges and tasks are no longer solvable with the classic structures and methods of public administration. Rather concepts of New Work are gaining importance due to the dynamic work environment in the public sector. This leads to the necessity of an agile transformation in public administration. Agility in organizations is understood to be the ability to adapt to rapidly changing conditions in the work environment. The following paper focuses on the influence of agility on the Leader-Member-Exchange (LMX). Using a semi-standard online poll, the degree of agility with an emphasis on agile organizational structures, agile organizational culture, and agile leadership is analyzed in the State Office for Refugees Affairs and District Office Neukölln of Berlin. Furthermore, relationships between leaders and subordinates in an agile environment and relationships in a non-agile environment are compared through the lens of the quality of Leader-Member-Exchange (LMX-Quality). The results show a significant influence of agility on Leader-Member-Exchange. In both Offices a moderate to high degree of agility is found. Particularly, agile leadership characteristics encourage high-quality relationships. Whereas a correlation between agility and high LMX-Quality is identified in the District Office Neukölln, this result could not be observed in the State Office of Refugees Affairs. However, the influence of agility on at least the development of a positive and successful relationship is established in both Offices. T3 - Schriftenreihe für Public und Nonprofit Management - 31 KW - Agilität KW - Führungskräfte-Mitarbeiter-Beziehung KW - Öffentliche Verwaltung KW - Leader-Member-Exchange KW - Agile Leadership KW - Public Administration KW - Agility KW - LMX-Theorie KW - Agile Führung Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-565831 SN - 2190-4561 ER - TY - JOUR A1 - Loges, Klara A1 - Tiberius, Victor T1 - Implementation Challenges of 3D Printing in Prosthodontics BT - A Ranking-Type Delphi JF - Materials N2 - The reduction in cost and increasing benefits of 3D printing technologies suggest the potential for printing dental prosthetics. However, although 3D printing technologies seem to be promising, their implementation in practice is complicated. To identify and rank the greatest implementation challenges of 3D printing in dental practices, the present study surveys dentists, dental technicians, and 3D printing companies using a ranking-type Delphi study. Our findings imply that a lack of knowledge is the most crucial obstacle to the implementation of 3D printing technologies. The high training effort of staff and the favoring of conventional methods, such as milling, are ranked as the second and third most relevant factors. Investment costs ranked in seventh place, whereas the lack of manufacturing facilities and the obstacle of print duration ranked below average. An inclusive implementation of additive manufacturing could be achieved primarily through the education of dentists and other staff in dental practices. In this manner, production may be managed internally, and the implementation speed may be increased. KW - 3D printing KW - prosthodontics KW - ranking type Delphi study KW - additive manufacturing KW - dentistry Y1 - 2021 U6 - https://doi.org/10.3390/ma15020431 SN - 1996-1944 VL - 15 PB - MDPI CY - Basel ER - TY - JOUR A1 - Thieken, Annegret A1 - Mohor, Guilherme Samprogna A1 - Kreibich, Heidi A1 - Müller, Meike T1 - Compound inland flood events BT - different pathways, different impacts and different coping options JF - Natural hazards and earth system sciences : NHESS N2 - Several severe flood events hit Germany in recent years, with events in 2013 and 2016 being the most destructive ones, although dynamics and flood processes were very different. While the 2013 event was a slowly rising widespread fluvial flood accompanied by some severe dike breaches, the events in 2016 were fast-onset pluvial floods, which resulted in surface water flooding in some places due to limited capacities of the drainage systems and in destructive flash floods with high sediment loads and clogging in others, particularly in small steep catchments. Hence, different pathways, i.e. different routes that the water takes to reach (and potentially damage) receptors, in our case private households, can be identified in both events. They can thus be regarded as spatially compound flood events or compound inland floods. This paper analyses how differently affected residents coped with these different flood types (fluvial and pluvial) and their impacts while accounting for the different pathways (river flood, dike breach, surface water flooding and flash flood) within the compound events. The analyses are based on two data sets with 1652 (for the 2013 flood) and 601 (for the 2016 flood) affected residents who were surveyed around 9 months after each flood, revealing little socio-economic differences - except for income - between the two samples. The four pathways showed significant differences with regard to their hydraulic and financial impacts, recovery, warning processes, and coping and adaptive behaviour. There are just small differences with regard to perceived self-efficacy and responsibility, offering entry points for tailored risk communication and support to improve property-level adaptation. Y1 - 2022 U6 - https://doi.org/10.5194/nhess-22-165-2022 SN - 1561-8633 SN - 1684-9981 VL - 22 IS - 1 SP - 165 EP - 185 PB - Copernicus CY - Göttingen ER -