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 -