TY - JOUR A1 - Kawa, Nura A1 - Cucchi, Karina A1 - Rubin, Yoram A1 - Attinger, Sabine A1 - Hesse, Falk T1 - Defining Hydrogeological Site Similarity with Hierarchical Agglomerative Clustering JF - Groundwater : journal of the Association of Ground-Water Scientists and Engineers, a division of the National Ground Water Association N2 - Hydrogeological information about an aquifer is difficult and costly to obtain, yet essential for the efficient management of groundwater resources. Transferring information from sampled sites to a specific site of interest can provide information when site-specific data is lacking. Central to this approach is the notion of site similarity, which is necessary for determining relevant sites to include in the data transfer process. In this paper, we present a data-driven method for defining site similarity. We apply this method to selecting groups of similar sites from which to derive prior distributions for the Bayesian estimation of hydraulic conductivity measurements at sites of interest. We conclude that there is now a unique opportunity to combine hydrogeological expertise with data-driven methods to improve the predictive ability of stochastic hydrogeological models. Y1 - 2022 U6 - https://doi.org/10.1111/gwat.13261 SN - 0017-467X SN - 1745-6584 PB - Wiley CY - Hoboken ER - TY - JOUR A1 - Ziegler, Joceline A1 - Pfitzner, Bjarne A1 - Schulz, Heinrich A1 - Saalbach, Axel A1 - Arnrich, Bert T1 - Defending against Reconstruction Attacks through Differentially Private Federated Learning for Classification of Heterogeneous Chest X-ray Data JF - Sensors N2 - Privacy regulations and the physical distribution of heterogeneous data are often primary concerns for the development of deep learning models in a medical context. This paper evaluates the feasibility of differentially private federated learning for chest X-ray classification as a defense against data privacy attacks. To the best of our knowledge, we are the first to directly compare the impact of differentially private training on two different neural network architectures, DenseNet121 and ResNet50. Extending the federated learning environments previously analyzed in terms of privacy, we simulated a heterogeneous and imbalanced federated setting by distributing images from the public CheXpert and Mendeley chest X-ray datasets unevenly among 36 clients. Both non-private baseline models achieved an area under the receiver operating characteristic curve (AUC) of 0.940.94 on the binary classification task of detecting the presence of a medical finding. We demonstrate that both model architectures are vulnerable to privacy violation by applying image reconstruction attacks to local model updates from individual clients. The attack was particularly successful during later training stages. To mitigate the risk of a privacy breach, we integrated Rényi differential privacy with a Gaussian noise mechanism into local model training. We evaluate model performance and attack vulnerability for privacy budgets ε∈{1,3,6,10}�∈{1,3,6,10}. The DenseNet121 achieved the best utility-privacy trade-off with an AUC of 0.940.94 for ε=6�=6. Model performance deteriorated slightly for individual clients compared to the non-private baseline. The ResNet50 only reached an AUC of 0.760.76 in the same privacy setting. Its performance was inferior to that of the DenseNet121 for all considered privacy constraints, suggesting that the DenseNet121 architecture is more robust to differentially private training. KW - federated learning KW - privacy and security KW - privacy attack KW - X-ray Y1 - 2022 U6 - https://doi.org/10.3390/s22145195 SN - 1424-8220 VL - 22 PB - MDPI CY - Basel, Schweiz ET - 14 ER - TY - JOUR A1 - Kayhan, Ezgi A1 - Matthes, Daniel A1 - Marriott Haresign, Ira A1 - Bánki, Anna A1 - Michel, Christine A1 - Langeloh, Miriam A1 - Wass, Sam A1 - Hoehl, Stefanie T1 - DEEP: A dual EEG pipeline for developmental hyperscanning studies JF - Developmental Cognitive Neuroscience N2 - Cutting-edge hyperscanning methods led to a paradigm shift in social neuroscience. It allowed researchers to measure dynamic mutual alignment of neural processes between two or more individuals in naturalistic contexts. The ever-growing interest in hyperscanning research calls for the development of transparent and validated data analysis methods to further advance the field. We have developed and tested a dual electroencephalography (EEG) analysis pipeline, namely DEEP. Following the preprocessing of the data, DEEP allows users to calculate Phase Locking Values (PLVs) and cross-frequency PLVs as indices of inter-brain phase alignment of dyads as well as time-frequency responses and EEG power for each participant. The pipeline also includes scripts to control for spurious correlations. Our goal is to contribute to open and reproducible science practices by making DEEP publicly available together with an example mother-infant EEG hyperscanning dataset. KW - Developmental hyperscanning KW - Dual EEG analysis KW - Adult-child interaction KW - Phase Locking Value KW - PLV KW - Cross-frequency PLV KW - FieldTrip Y1 - 2022 U6 - https://doi.org/10.1016/j.dcn.2022.101104 SN - 1878-9307 VL - 54 SP - 1 EP - 11 PB - Elsevier CY - Amsterdam, Niederlande ER - TY - JOUR A1 - Greenfield, Tim A1 - Winder, Tom A1 - Rawlinson, Nicholas A1 - Maclennan, John A1 - White, Robert S. A1 - Ágústsdóttir, Thorbjörg A1 - Bacon, Conor Andrew A1 - Brandsdóttir, Bryndis A1 - Eibl, Eva P. S. A1 - Glastonbury-Southern, Esme A1 - Gudnason, Egill Árni A1 - Hersir, Gylfi Páll A1 - Horálek, Josef T1 - Deep long period seismicity preceding and during the 2021 Fagradalsfjall eruption, Iceland JF - Bulletin of volcanology : official journal of the International Association of Volcanology and Chemistry of the Earth's Interior (IAVCEI) N2 - We use a dense seismic network on the Reykjanes Peninsula, Iceland, to image a group of earthquakes at 10-12 km depth, 2 km north-east of 2021 Fagradalsfjall eruption site. These deep earthquakes have a lower frequency content compared to earthquakes located in the upper, brittle crust and are similar to deep long period (DLP) seismicity observed at other volcanoes in Iceland and around the world. We observed several swarms of DLP earthquakes between the start of the study period (June 2020) and the initiation of the 3-week-long dyke intrusion that preceded the eruption in March 2021. During the eruption, DLP earthquake swarms returned 1 km SW of their original location during periods when the discharge rate or fountaining style of the eruption changed. The DLP seismicity is therefore likely to be linked to the magma plumbing system beneath Fagradalsfjall. However, the DLP seismicity occurred similar to 5 km shallower than where petrological modelling places the near-Moho magma storage region in which the Fagradalsfjall lava was stored. We suggest that the DLP seismicity was triggered by the exsolution of CO2-rich fluids or the movement of magma at a barrier to the transport of melt in the lower crust. Increased flux through the magma plumbing system during the eruption likely adds to the complexity of the melt migration process, thus causing further DLP seismicity, despite a contemporaneous magma channel to the surface. KW - deep long-period earthquakes KW - magma plumbing system KW - Iceland KW - Reykjanes KW - low-frequency KW - Fagradalsfjall Y1 - 2022 U6 - https://doi.org/10.1007/s00445-022-01603-2 SN - 0258-8900 SN - 1432-0819 VL - 84 IS - 12 PB - Springer CY - Berlin ; Heidelberg ; New York ER - TY - JOUR A1 - Eichelmann, Fabian A1 - Sellem, Laury A1 - Wittenbecher, Clemens A1 - Jäger, Susanne A1 - Kuxhaus, Olga A1 - Prada, Marcela A1 - Cuadrat, Rafael A1 - Jackson, Kim G. A1 - Lovegrove, Julie A. A1 - Schulze, Matthias Bernd T1 - Deep lipidomics in human plasma: cardiometabolic disease risk and effect of dietary fat modulation JF - Circulation N2 - Background: In blood and tissues, dietary and endogenously generated fatty acids (FAs) occur in free form or as part of complex lipid molecules that collectively represent the lipidome of the respective tissue. We assessed associations of plasma lipids derived from high-resolution lipidomics with incident cardiometabolic diseases and subsequently tested if the identified risk-associated lipids were sensitive to dietary fat modification. Methods: The EPIC Potsdam cohort study (European Prospective Investigation into Cancer and Nutrition) comprises 27 548 participants recruited within an age range of 35 to 65 years from the general population around Potsdam, Germany. We generated 2 disease-specific case cohorts on the basis of a fixed random subsample (n=1262) and all respective cohort-wide identified incident primary cardiovascular disease (composite of fatal and nonfatal myocardial infarction and stroke; n=551) and type 2 diabetes (n=775) cases. We estimated the associations of baseline plasma concentrations of 282 class-specific FA abundances (calculated from 940 distinct molecular species across 15 lipid classes) with the outcomes in multivariable-adjusted Cox models. We tested the effect of an isoenergetic dietary fat modification on risk-associated lipids in the DIVAS randomized controlled trial (Dietary Intervention and Vascular Function; n=113). Participants consumed either a diet rich in saturated FAs (control), monounsaturated FAs, or a mixture of monounsaturated and n-6 polyunsaturated FAs for 16 weeks. Results: Sixty-nine lipids associated (false discovery rate<0.05) with at least 1 outcome (both, 8; only cardiovascular disease, 49; only type 2 diabetes, 12). In brief, several monoacylglycerols and FA16:0 and FA18:0 in diacylglycerols were associated with both outcomes; cholesteryl esters, free fatty acids, and sphingolipids were largely cardiovascular disease specific; and several (glycero)phospholipids were type 2 diabetes specific. In addition, 19 risk-associated lipids were affected (false discovery rate<0.05) by the diets rich in unsaturated dietary FAs compared with the saturated fat diet (17 in a direction consistent with a potential beneficial effect on long-term cardiometabolic risk). For example, the monounsaturated FA-rich diet decreased diacylglycerol(FA16:0) by 0.4 (95% CI, 0.5-0.3) SD units and increased triacylglycerol(FA22:1) by 0.5 (95% CI, 0.4-0.7) SD units. Conclusions: We identified several lipids associated with cardiometabolic disease risk. A subset was beneficially altered by a dietary fat intervention that supports the substitution of dietary saturated FAs with unsaturated FAs as a potential tool for primary disease prevention. KW - cardiovascular diseases KW - cholesterol KW - diabetes mellitus KW - type 2 KW - diet KW - food KW - and nutrition KW - epidemiology KW - lipids Y1 - 2022 U6 - https://doi.org/10.1161/CIRCULATIONAHA.121.056805 SN - 0009-7322 SN - 1524-4539 VL - 146 IS - 1 SP - 21 EP - 35 PB - Lippincott Williams & Wilkins CY - Philadelphia ER - TY - JOUR A1 - Schönfeldt, Elisabeth A1 - Winocur, Diego A1 - Pánek, Tomáš A1 - Korup, Oliver T1 - Deep learning reveals one of Earth's largest landslide terrain in Patagonia JF - Earth & planetary science letters N2 - Hundreds of basaltic plateau margins east of the Patagonian Cordillera are undermined by numerous giant slope failures. However, the overall extent of this widespread type of plateau collapse remains unknown and incompletely captured in local maps. To detect giant slope failures consistently throughout the region, we train two convolutional neural networks (CNNs), AlexNet and U-Net, with Sentinel-2 optical data and TanDEM-X topographic data on elevation, surface roughness, and curvature. We validated the performance of these CNNs with independent testing data and found that AlexNet performed better when learned on topographic data, and UNet when learned on optical data. AlexNet predicts a total landslide area of 12,000 km2 in a study area of 450,000 km2, and thus one of Earth's largest clusters of giant landslides. These are mostly lateral spreads and rotational failures in effusive rocks, particularly eroding the margins of basaltic plateaus; some giant landslides occurred along shores of former glacial lakes, but are least prevalent in Quaternary sedimentary rocks. Given the roughly comparable topographic, climatic, and seismic conditions in our study area, we infer that basalts topping weak sedimentary rocks may have elevated potential for large-scale slope failure. Judging from the many newly detected and previously unknown landslides, we conclude that CNNs can be a valuable tool to detect large-scale slope instability at the regional scale. However, visual inspection is still necessary to validate results and correctly outline individual landslide source and deposit areas. KW - landslide detection KW - convolutional neural network KW - Patagonia Y1 - 2022 U6 - https://doi.org/10.1016/j.epsl.2022.117642 SN - 0012-821X SN - 1385-013X VL - 593 PB - Elsevier CY - Amsterdam [u.a.] ER - TY - JOUR A1 - Michallek, Florian A1 - Genske, Ulrich A1 - Niehues, Stefan Markus A1 - Hamm, Bernd A1 - Jahnke, Paul T1 - Deep learning reconstruction improves radiomics feature stability and discriminative power in abdominal CT imaging BT - a phantom study JF - European Radiology N2 - Objectives To compare image quality of deep learning reconstruction (AiCE) for radiomics feature extraction with filtered back projection (FBP), hybrid iterative reconstruction (AIDR 3D), and model-based iterative reconstruction (FIRST). Methods Effects of image reconstruction on radiomics features were investigated using a phantom that realistically mimicked a 65-year-old patient's abdomen with hepatic metastases. The phantom was scanned at 18 doses from 0.2 to 4 mGy, with 20 repeated scans per dose. Images were reconstructed with FBP, AIDR 3D, FIRST, and AiCE. Ninety-three radiomics features were extracted from 24 regions of interest, which were evenly distributed across three tissue classes: normal liver, metastatic core, and metastatic rim. Features were analyzed in terms of their consistent characterization of tissues within the same image (intraclass correlation coefficient >= 0.75), discriminative power (Kruskal-Wallis test p value < 0.05), and repeatability (overall concordance correlation coefficient >= 0.75). Results The median fraction of consistent features across all doses was 6%, 8%, 6%, and 22% with FBP, AIDR 3D, FIRST, and AiCE, respectively. Adequate discriminative power was achieved by 48%, 82%, 84%, and 92% of features, and 52%, 20%, 17%, and 39% of features were repeatable, respectively. Only 5% of features combined consistency, discriminative power, and repeatability with FBP, AIDR 3D, and FIRST versus 13% with AiCE at doses above 1 mGy and 17% at doses >= 3 mGy. AiCE was the only reconstruction technique that enabled extraction of higher-order features. Conclusions AiCE more than doubled the yield of radiomics features at doses typically used clinically. Inconsistent tissue characterization within CT images contributes significantly to the poor stability of radiomics features. KW - Tomography KW - X-ray computed KW - Phantoms KW - imaging KW - Liver neoplasms KW - Algorithms KW - Reproducibility of results Y1 - 2022 U6 - https://doi.org/10.1007/s00330-022-08592-y SN - 1432-1084 VL - 32 IS - 7 SP - 4587 EP - 4595 PB - Springer CY - New York ER - TY - JOUR A1 - Abdelwahab, Ahmed A1 - Landwehr, Niels T1 - Deep Distributional Sequence Embeddings Based on a Wasserstein Loss JF - Neural processing letters N2 - Deep metric learning employs deep neural networks to embed instances into a metric space such that distances between instances of the same class are small and distances between instances from different classes are large. In most existing deep metric learning techniques, the embedding of an instance is given by a feature vector produced by a deep neural network and Euclidean distance or cosine similarity defines distances between these vectors. This paper studies deep distributional embeddings of sequences, where the embedding of a sequence is given by the distribution of learned deep features across the sequence. The motivation for this is to better capture statistical information about the distribution of patterns within the sequence in the embedding. When embeddings are distributions rather than vectors, measuring distances between embeddings involves comparing their respective distributions. The paper therefore proposes a distance metric based on Wasserstein distances between the distributions and a corresponding loss function for metric learning, which leads to a novel end-to-end trainable embedding model. We empirically observe that distributional embeddings outperform standard vector embeddings and that training with the proposed Wasserstein metric outperforms training with other distance functions. KW - Metric learning KW - Sequence embeddings KW - Deep learning Y1 - 2022 U6 - https://doi.org/10.1007/s11063-022-10784-y SN - 1370-4621 SN - 1573-773X PB - Springer CY - Dordrecht ER - TY - JOUR A1 - Resch, Gustav A1 - Schöniger, Franziska A1 - Kleinschmitt, Christoph A1 - Franke, Katja A1 - Thonig, Richard A1 - Lilliestam, Johan T1 - Deep decarbonization of the European power sector calls for dispatchable CSP JF - AIP conference proceedings N2 - Concentrating Solar Power (CSP) offers flexible and decarbonized power generation and is one of the few dispatchable renewable technologies able to generate renewable electricity on demand. Today (2018) CSP contributes only 5TWh to the European power generation, but it has the potential to become one of the key pillars for European decarbonization pathways. In this paper we investigate how factors and pivotal policy decisions leading to different futures and associated CSP deployment in Europe in the years up to 2050. In a second step we characterize the scenarios with their associated system cost and the costs of support policies. We show that the role of CSP in Europe critically depends on political developments and the success or failure of policies outside renewable power. In particular, the uptake of CSP depends on the overall decarbonization ambition, the degree of cross border trade of renewable electricity and is enabled by the presence of strong grid interconnection between Southern and Norther European Member States as well as by future electricity demand growth. The presence of other baseload technologies, prominently nuclear power in France, reduce the role and need for CSP. Assuming favorable technological development, we find a strong role for CSP in Europe in all modeled scenarios: contributing between 100TWh to 300TWh of electricity to a future European power system. This would require increasing the current European CSP fleet by a factor of 20 to 60 in the next 30 years. To achieve this financial support between € 0.4-2 billion per year into CSP would be needed, representing only a small share of overall support needs for power-system transformation. Cooperation of Member States could further help to reduce this cost. Y1 - 2022 U6 - https://doi.org/10.1063/5.0086710 SN - 1551-7616 SN - 0094-243X SP - 050006-1 EP - 050006-9 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Meyer, Philipp A1 - Aghion, Erez A1 - Kantz, Holger T1 - Decomposing the effect of anomalous diffusion enables direct calculation of the Hurst exponent and model classification for single random paths JF - Journal of physics / Institute of Physics. A, Mathematical, nuclear and general N2 - Recently, a large number of research teams from around the world collaborated in the so-called 'anomalous diffusion challenge'. Its aim: to develop and compare new techniques for inferring stochastic models from given unknown time series, and estimate the anomalous diffusion exponent in data. We use various numerical methods to directly obtain this exponent using the path increments, and develop a questionnaire for model selection based on feature analysis of a set of known stochastic processes given as candidates. Here, we present the theoretical background of the automated algorithm which we put for these tasks in the diffusion challenge, as a counter to other pure data-driven approaches. KW - time-series analysis KW - decomposing anomalous diffusion KW - anomalous KW - diffusion exponent KW - process inference Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac72d4 SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 27 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Souto-Veiga, Rodrigo A1 - Groeneveld, Juergen A1 - Enright, Neal J. A1 - Fontaine, Joseph B. A1 - Jeltsch, Florian T1 - Declining pollination success reinforces negative climate and fire change impacts in a serotinous, fire-killed plant JF - Plant ecology : an international journal N2 - Climate change projections predict that Mediterranean-type ecosystems (MTEs) are becoming hotter and drier and that fires will become more frequent and severe. While most plant species in these important biodiversity hotspots are adapted to hot, dry summers and recurrent fire, the Interval Squeeze framework suggests that reduced seed production (demographic shift), reduced seedling establishment after fire (post fire recruitment shift), and reduction in the time between successive fires (fire interval shift) will threaten fire killed species under climate change. One additional potential driver of accelerated species decline, however, has not been considered so far: the decrease in pollination success observed in many ecosystems worldwide has the potential to further reduce seed accumulation and thus population persistence also in these already threatened systems. Using the well-studied fire-killed and serotinous shrub species Banksia hookeriana as an example, we apply a new spatially implicit population simulation model to explore population dynamics under past (1988-2002) and current (2003-2017) climate conditions, deterministic and stochastic fire regimes, and alternative scenarios of pollination decline. Overall, model results suggest that while B. hookeriana populations were stable under past climate conditions, they will not continue to persist under current (and prospective future) climate. Negative effects of climatic changes and more frequent fires are reinforced by the measured decline in seed set leading to further reduction in the mean persistence time by 12-17%. These findings clearly indicate that declining pollination rates can be a critical factor that increases further the pressure on the persistence of fire-killed plants. Future research needs to investigate whether other fire-killed species are similarly threatened, and if local population extinction may be compensated by recolonization events, facilitating persistence in spatially structured meta-communities. KW - climate change KW - fire frequency KW - interval squeeze KW - pollination KW - process-based simulation model KW - mediterranean-type ecosystem Y1 - 2022 U6 - https://doi.org/10.1007/s11258-022-01244-7 SN - 1385-0237 SN - 1573-5052 VL - 223 IS - 7 SP - 863 EP - 881 PB - Springer CY - Dordrecht ER - TY - JOUR A1 - Krumbholz, Julia A1 - Ishida, Keishi A1 - Baunach, Martin A1 - Teikari, Jonna A1 - Rose, Magdalena M. A1 - Sasso, Severin A1 - Hertweck, Christian A1 - Dittmann, Elke T1 - Deciphering chemical mediators regulating specialized metabolism in a symbiotic cyanobacterium JF - Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker. International edition N2 - Genomes of cyanobacteria feature a variety of cryptic biosynthetic pathways for complex natural products, but the peculiarities limiting the discovery and exploitation of the metabolic dark matter are not well understood. Here we describe the discovery of two cell density-dependent chemical mediators, nostoclide and nostovalerolactone, in the symbiotic model strain Nostoc punctiforme, and demonstrate their pronounced impact on the regulation of specialized metabolism. Through transcriptional, bioinformatic and labeling studies we assigned two adjacent biosynthetic gene clusters to the biosynthesis of the two polyketide mediators. Our findings provide insight into the orchestration of specialized metabolite production and give lessons for the genomic mining and high-titer production of cyanobacterial bioactive compounds. KW - Biosynthesis KW - Cyanobacteria KW - Genomic Mining KW - Quorum Sensing KW - Specialized KW - Metabolism Y1 - 2022 U6 - https://doi.org/10.1002/anie.202204545 SN - 1433-7851 SN - 1521-3773 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Khudair, Mohammed A1 - Marcuzzi, Anna A1 - Ng, Kwok A1 - Tempest, Gavin Daniel A1 - Bartoš, František A1 - Peric, Ratko A1 - Maier, Maximilian A1 - Beccia, Flavia A1 - Boccia, Stefania A1 - Brandes, Mirko A1 - Cardon, Greet A1 - Carlin, Angela A1 - Castagna, Carolina A1 - Chaabene, Helmi A1 - Chalkley, Anna A1 - Ciaccioni, Simone A1 - Cieślińska-Świder, Joanna A1 - Čingienė, Vilma A1 - Cortis, Cristina A1 - Corvino, Chiara A1 - de Geus, Eco J. C. A1 - Di Baldassarre, Angela A1 - Di Credico, Andrea A1 - Drid, Patrik A1 - Tarazaga, Rosa Ma Fernández A1 - Gallè, Francesca A1 - Sánchez, Esther Garcia A1 - Gebremariam, Mekdes A1 - Ghinassi, Barbara A1 - Goudas, Marios A1 - Hayes, Grainne A1 - Honorio, Samuel A1 - Izzicupo, Pascal A1 - Jahre, Henriette A1 - Jelsma, Judith A1 - Juric, Petra A1 - Kolovelonis, Athanasios A1 - Kongsvold, Atle A1 - Kouidi, Evangelia A1 - Mansergh, Fiona A1 - Masanovic, Bojan A1 - Mekonnen, Teferi A1 - Mork, Paul Jarle A1 - Murphy, Marie A1 - O'Hara, Kelly A1 - Torun, Ayse Ozbil A1 - Palumbo, Federico A1 - Popovic, Stevo A1 - Prieske, Olaf A1 - Puharic, Zrinka A1 - Ribeiro, José Carlos A1 - Rumbold, Penny Louise Sheena A1 - Sandu, Petru A1 - Soric, Maroje A1 - Stavnsbo, Mette A1 - Syrmpas, Ioannis A1 - van der Ploeg, Hidde P. A1 - Van Hoye, Aurélie A1 - Vilela, Sofia A1 - Woods, Catherine A1 - Wunsch, Kathrin A1 - Caprinica, Laura A1 - MacDonncha, Ciaran A1 - Ling, Fiona Chun Man T1 - DE-PASS Best Evidence Statement (BESt): modifiable determinants of physical activity and sedentary behaviour in children and adolescents aged 5-19 years-a protocol for systematic review and meta-analysis JF - BMJ open N2 - Introduction Physical activity among children and adolescents remains insufficient, despite the substantial efforts made by researchers and policymakers. Identifying and furthering our understanding of potential modifiable determinants of physical activity behaviour (PAB) and sedentary behaviour (SB) is crucial for the development of interventions that promote a shift from SB to PAB. The current protocol details the process through which a series of systematic literature reviews and meta-analyses (MAs) will be conducted to produce a best-evidence statement (BESt) and inform policymakers. The overall aim is to identify modifiable determinants that are associated with changes in PAB and SB in children and adolescents (aged 5-19 years) and to quantify their effect on, or association with, PAB/SB. Methods and analysis A search will be performed in MEDLINE, SportDiscus, Web of Science, PsychINFO and Cochrane Central Register of Controlled Trials. Randomised controlled trials (RCTs) and controlled trials (CTs) that investigate the effect of interventions on PAB/SB and longitudinal studies that investigate the associations between modifiable determinants and PAB/SB at multiple time points will be sought. Risk of bias assessments will be performed using adapted versions of Cochrane's RoB V.2.0 and ROBINS-I tools for RCTs and CTs, respectively, and an adapted version of the National Institute of Health's tool for longitudinal studies. Data will be synthesised narratively and, where possible, MAs will be performed using frequentist and Bayesian statistics. Modifiable determinants will be discussed considering the settings in which they were investigated and the PAB/SB measurement methods used. Ethics and dissemination No ethical approval is needed as no primary data will be collected. The findings will be disseminated in peer-reviewed publications and academic conferences where possible. The BESt will also be shared with policy makers within the DE-PASS consortium in the first instance. Systematic review registration CRD42021282874. KW - public health KW - health policy KW - community child health Y1 - 2022 U6 - https://doi.org/10.1136/bmjopen-2021-059202 SN - 2044-6055 VL - 12 IS - 9 PB - BMJ Publishing Group CY - London ER - TY - JOUR A1 - Isken, Marius Paul A1 - Vasyura-Bathke, Hannes A1 - Dahm, Torsten A1 - Heimann, Sebastian T1 - De-noising distributed acoustic sensing data using an adaptive frequency-wavenumber filter JF - Geophysical journal international N2 - Data recorded by distributed acoustic sensing (DAS) along an optical fibre sample the spatial and temporal properties of seismic wavefields at high spatial density. Often leading to massive amount of data when collected for seismic monitoring along many kilometre long cables. The spatially coherent signals from weak seismic arrivals within the data are often obscured by incoherent noise. We present a flexible and computationally efficient filtering technique, which makes use of the dense spatial and temporal sampling of the data and that can handle the large amount of data. The presented adaptive frequency-wavenumber filter suppresses the incoherent seismic noise while amplifying the coherent wavefield. We analyse the response of the filter in time and spectral domain, and we demonstrate its performance on a noisy data set that was recorded in a vertical borehole observatory showing active and passive seismic phase arrivals. Lastly, we present a performant open-source software implementation enabling real-time filtering of large DAS data sets. KW - Fourier analysis KW - Image processing KW - Time-series analysis KW - Seismic noise KW - Distributed acoustic sensing Y1 - 2022 U6 - https://doi.org/10.1093/gji/ggac229 SN - 0956-540X SN - 1365-246X VL - 231 IS - 2 SP - 944 EP - 949 PB - Oxford University Press CY - Oxford ER - TY - JOUR A1 - Haase, Jennifer A1 - Vladova, Gergana A1 - Bender, Benedict T1 - Dating on a different stage, but with the same habits BT - an analysis of offline vs. online dating behavior JF - PsyArXiv N2 - This study aims to compare online vs. offline flirting and dating behavior using the example of the location-based real-time dating (LBRTD) app Tinder, a popular dating platform. We focus on persons' self-descriptions like self-esteem, social desirability, state social anxiety, and adjustment behavior on Tinder and the perceived data privacy of the app. Data was gathered using a survey approach with Tinder users reporting their behavior in offline and online settings. The comparison between offline and online behavior was made using Response Surface Analysis. The results suggest that the different conditions of the natural and digital worlds do not influence the individual's behavior and emotional perception. The results are analyzed and discuss gender, age, motivation to use the app, and the user's relationship status. KW - Online behavior KW - Online Dating KW - Data Privacy KW - Self-esteem KW - Tinder Y1 - 2022 U6 - https://doi.org/10.31234/osf.io/kj68b IS - 245 ER - TY - JOUR A1 - Kindermann, Liana A1 - Dobler, Magnus A1 - Niedeggen, Daniela A1 - Chimbioputo Fabiano, Ezequiel A1 - Linstädter, Anja T1 - Dataset on woody aboveground biomass, disturbance losses, and wood density from an African savanna ecosystem JF - Data in Brief N2 - This dataset comprises tree inventories and damage assessments performed in Namibia's semi-arid Zambezi Region. Data were sampled in savannas and savanna woodlands along steep gradients of elephant population densities to capture the effects of those (and other) disturbances on individual-level and stand-level aboveground woody biomass (AGB). The dataset contains raw data on dendrometric measures and processed data on specific wood density (SWD), woody aboveground biomass, and biomass losses through disturbance impacts. Allometric proxies (height, canopy diameters, and in adult trees also stem circumferences) were recorded for n = 6,179 tree and shrub individuals. Wood samples were taken for each encountered species to measure specific wood density. These measurements have been used to estimate woody aboveground biomass via established allometric models, advanced through our improved methodologies and workflows that accounted for tree and shrub architecture shaped by disturbance impacts. To this end, we performed a detailed damage assessment on each woody individual in the field. In addition to estimations of standing biomass, our new method also delivered data on biomass losses to different disturbance agents (elephants, fire, and others) on the level of plant individuals and stands. The data presented here have been used within a study published with Ecological Indicators (Kindermann et al., 2022) to evaluate the benefits of our improved methodology in comparison to a standard reference method of aboveground biomass estimations. Additionally, it has been employed in a study on carbon storage and sequestration in vegetation and soils (Sandhage-Hofmann et al., 2021). The raw data of dendrometric measurements can be subjected to other available allometric models for biomass estimation. The processed data can be used to analyze disturbance impacts on woody aboveground biomass, or for regional carbon storage estimates. The data on species-specific wood density can be used for application to other dendrometric datasets to (re-) estimate biomass through allometric models requiring wood density. It can further be used for plant functional trait analyses. KW - Damage assessment KW - Disturbance impacts KW - Disturbance indicator KW - Elephant disturbance KW - Tree allometry KW - Specific wood density KW - Woody aboveground biomass KW - Wood specific gravity Y1 - 2022 U6 - https://doi.org/10.1016/j.dib.2022.108155 SN - 2352-3409 VL - 42 SP - 1 EP - 16 PB - Elsevier CY - Amsterdam, Niederlande ER - TY - JOUR A1 - Petrov, Polina A1 - Singer, Leo P. A1 - Coughlin, Michael W. A1 - Kumar, Vishwesh A1 - Almualla, Mouza A1 - Anand, Shreya A1 - Bulla, Mattia A1 - Dietrich, Tim A1 - Foucart, Francois A1 - Guessoum, Nidhal T1 - Data-driven expectations for electromagnetic counterpart searches based on LIGO/Virgo public alerts JF - The astrophysical journal : an international review of spectroscopy and astronomical physics; part 1 N2 - Searches for electromagnetic counterparts of gravitational-wave signals have redoubled since the first detection in 2017 of a binary neutron star merger with a gamma-ray burst, optical/infrared kilonova, and panchromatic afterglow. Yet, one LIGO/Virgo observing run later, there has not yet been a second, secure identification of an electromagnetic counterpart. This is not surprising given that the localization uncertainties of events in LIGO and Virgo's third observing run, O3, were much larger than predicted. We explain this by showing that improvements in data analysis that now allow LIGO/Virgo to detect weaker and hence more poorly localized events have increased the overall number of detections, of which well-localized, gold-plated events make up a smaller proportion overall. We present simulations of the next two LIGO/Virgo/KAGRA observing runs, O4 and O5, that are grounded in the statistics of O3 public alerts. To illustrate the significant impact that the updated predictions can have, we study the follow-up strategy for the Zwicky Transient Facility. Realistic and timely forecasting of gravitational-wave localization accuracy is paramount given the large commitments of telescope time and the need to prioritize which events are followed up. We include a data release of our simulated localizations as a public proposal planning resource for astronomers. Y1 - 2022 U6 - https://doi.org/10.3847/1538-4357/ac366d SN - 1538-4357 VL - 924 IS - 2 PB - Institute of Physics Publ. CY - London ER - TY - JOUR A1 - Ullrich, André A1 - Vladova, Gergana A1 - Eigelshoven, Felix A1 - Renz, André T1 - Data mining of scientific research on artificial intelligence in teaching and administration in higher education institutions BT - a bibliometrics analysis and recommendation for future research JF - Discover artificial intelligence N2 - Teaching and learning as well as administrative processes are still experiencing intensive changes with the rise of artificial intelligence (AI) technologies and its diverse application opportunities in the context of higher education. Therewith, the scientific interest in the topic in general, but also specific focal points rose as well. However, there is no structured overview on AI in teaching and administration processes in higher education institutions that allows to identify major research topics and trends, and concretizing peculiarities and develops recommendations for further action. To overcome this gap, this study seeks to systematize the current scientific discourse on AI in teaching and administration in higher education institutions. This study identified an (1) imbalance in research on AI in educational and administrative contexts, (2) an imbalance in disciplines and lack of interdisciplinary research, (3) inequalities in cross-national research activities, as well as (4) neglected research topics and paths. In this way, a comparative analysis between AI usage in administration and teaching and learning processes, a systematization of the state of research, an identification of research gaps as well as further research path on AI in higher education institutions are contributed to research. Y1 - 2022 U6 - https://doi.org/10.1007/s44163-022-00031-7 SN - 2731-0809 VL - 2 PB - Springer CY - Cham ER - TY - JOUR A1 - Engbert, Ralf A1 - Rabe, Maximilian Michael A1 - Schwetlick, Lisa A1 - Seelig, Stefan A. A1 - Reich, Sebastian A1 - Vasishth, Shravan T1 - Data assimilation in dynamical cognitive science JF - Trends in cognitive sciences N2 - Dynamical models make specific assumptions about cognitive processes that generate human behavior. In data assimilation, these models are tested against timeordered data. Recent progress on Bayesian data assimilation demonstrates that this approach combines the strengths of statistical modeling of individual differences with the those of dynamical cognitive models. Y1 - 2022 U6 - https://doi.org/10.1016/j.tics.2021.11.006 SN - 1364-6613 SN - 1879-307X VL - 26 IS - 2 SP - 99 EP - 102 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Mayer, Dennis A1 - Lever, Fabiano A1 - Gühr, Markus T1 - Data analysis procedures for time-resolved x-ray photoelectron spectroscopy at a SASE free-electron-laser JF - Journal of physics : B, Atomic, molecular and optical physics N2 - The random nature of self-amplified spontaneous emission (SASE) is a well-known challenge for x-ray core level spectroscopy at SASE free-electron lasers (FELs). Especially in time-resolved experiments that require a combination of good temporal and spectral resolution the jitter and drifts in the spectral characteristics, relative arrival time as well as power fluctuations can smear out spectral-temporal features. We present a combination of methods for the analysis of time-resolved photoelectron spectra based on power and time corrections as well as self-referencing of a strong photoelectron line. Based on sulfur 2p photoelectron spectra of 2-thiouracil taken at the SASE FEL FLASH2, we show that it is possible to correct for some of the photon energy drift and jitter even when reliable shot-to-shot photon energy data is not available. The quality of pump-probe difference spectra improves as random jumps in energy between delay points reduce significantly. The data analysis allows to identify coherent oscillations of 1 eV shift on the mean photoelectron line of 4 eV width with an error of less than 0.1 eV. KW - free-electron laser KW - photoelectron spectroscopy KW - FLASH Y1 - 2022 U6 - https://doi.org/10.1088/1361-6455/ac3c91 SN - 0953-4075 SN - 1361-6455 VL - 55 IS - 5 PB - IOP Publ. CY - Bristol ER - TY - JOUR A1 - Flóvenz, Ólafur G. A1 - Wang, Rongjiang A1 - Hersir, Gylfi Páll A1 - Dahm, Torsten A1 - Hainzl, Sebastian A1 - Vassileva, Magdalena A1 - Drouin, Vincent A1 - Heimann, Sebastian A1 - Isken, Marius Paul A1 - Gudnason, Egill Á. A1 - Ágústsson, Kristján A1 - Ágústsdóttir, Thorbjörg A1 - Horálek, Josef A1 - Motagh, Mahdi A1 - Walter, Thomas R. A1 - Rivalta, Eleonora A1 - Jousset, Philippe A1 - Krawczyk, Charlotte M. A1 - Milkereit, Claus T1 - Cyclical geothermal unrest as a precursor to Iceland's 2021 Fagradalsfjall eruption JF - Nature geoscience N2 - Understanding and constraining the source of geodetic deformation in volcanic areas is an important component of hazard assessment. Here, we analyse deformation and seismicity for one year before the March 2021 Fagradalsfjall eruption in Iceland. We generate a high-resolution catalogue of 39,500 earthquakes using optical cable recordings and develop a poroelastic model to describe three pre-eruptional uplift and subsidence cycles at the Svartsengi geothermal field, 8 km west of the eruption site. We find the observed deformation is best explained by cyclic intrusions into a permeable aquifer by a fluid injected at 4 km depth below the geothermal field, with a total volume of 0.11 ± 0.05 km3 and a density of 850 ± 350 kg m–3. We therefore suggest that ingression of magmatic CO2 can explain the geodetic, gravity and seismic data, although some contribution of magma cannot be excluded. Y1 - 2022 U6 - https://doi.org/10.1038/s41561-022-00930-5 SN - 1752-0894 SN - 1752-0908 VL - 15 IS - 5 SP - 397 EP - 404 PB - Nature Research CY - Berlin ER - TY - JOUR A1 - Kleinpeter, Erich A1 - Koch, Andreas T1 - Cyclazines-structure and aromaticity or antiaromaticity on the magnetic criterion JF - European journal of organic chemistry N2 - Structure and spatial magnetic properties, through-space NMR shieldings (TSNMRSs), of all ten cycl[2.2.2]azine to cycl[4.4.4]azine, hetero-analogues and the corresponding hydrocarbons have been calculated at the B3LYP/6-311G(d,p) theory level using the GIAO perturbation method and employing the nucleus independent chemical shift (NICS) concept. The TSNMRS values (actually, the ring current effect as measurable in H-1 NMR spectroscopy) are visualized as iso-chemical-shielding surfaces (ICSS) of various size and direction, and employed to readily qualify and quantify the degree of (anti)aromaticity. Results are confirmed by NMR [delta(H-1)/ppm, delta(N-15)/ppm] and geometry (planar, twisted, bow-shaped) data. The cyclazines N[2.2.2](-) up to N[2.4.4](-) are planar or at most slightly bowl-shaped and, due to coherent peripheral ring currents (except in N[2.3.3](-), N[2.3.4], N[3.3.4](+) and N[2.4.4](+)), develop aromaticity or anti-aromaticity of the whole molecules dependent on the number of peripheral conjugated pi electrons. The cyclazines N[2.3.3](-), N[2.3.4], N[3.3.4](+) and N[2.4.4](+) develop two ring currents of different direction within the same molecule, in which the dominating ring current proves to be paratropic (in N[3.3.4](+) diatropic) including the nodal N p(z) lone pair into the conjugation. The residual cyclazines N[3.4.4], N[4.4.4](-) and N[4.4.4](+) are heavily twisted and, therefore, are not developing peripheral or diverse ring currents. The TSNMRS information about cyclazines and the parent tricyclic annulene analogues is congruent subject to structure and number of peripheral or internal conjugated pi electrons, the corresponding (anti)aromaticity is in unequivocal accordance with Huckel's rule. KW - Aromaticity KW - Cyclazines KW - NMR spectroscopy KW - Peripheral ring current Y1 - 2022 U6 - https://doi.org/10.1002/ejoc.202101362 SN - 1434-193X SN - 1099-0690 VL - 2022 IS - 8 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Pietzsch, Annette A1 - Niskanen, Johannes A1 - Vaz da Cruz, Vinicius A1 - Büchner, Robby A1 - Eckert, Sebastian A1 - Fondell, Mattis A1 - Jay, Raphael Martin A1 - Lu, Xingye A1 - McNally, Daniel A1 - Schmitt, Thorsten A1 - Föhlisch, Alexander T1 - Cuts through the manifold of molecular H2O potential energy surfaces in liquid water at ambient conditions JF - Proceedings of the National Academy of Sciences of the United States of America N2 - The fluctuating hydrogen bridge bonded network of liquid water at ambient conditions entails a varied ensemble of the underlying constituting H2O molecular moieties. This is mirrored in a manifold of the H2O molecular potentials. Subnatural line width resonant inelastic X-ray scattering allowed us to quantify the manifold of molecular potential energy surfaces along the H2O symmetric normal mode and the local asymmetric O-H bond coordinate up to 1 and 1.5 angstrom, respectively. The comparison of the single H2O molecular potentials and spectroscopic signatures with the ambient conditions liquid phase H2O molecular potentials is done on various levels. In the gas phase, first principles, Morse potentials, and stepwise harmonic potential reconstruction have been employed and benchmarked. In the liquid phase the determination of the potential energy manifold along the local asymmetric O-H bond coordinate from resonant inelastic X-ray scattering via the bound state oxygen ls to 4a(1) resonance is treated within these frameworks. The potential energy surface manifold along the symmetric stretch from resonant inelastic X-ray scattering via the oxygen 1 s to 2b(2) resonance is based on stepwise harmonic reconstruction. We find in liquid water at ambient conditions H2O molecular potentials ranging from the weak interaction limit to strongly distorted potentials which are put into perspective to established parameters, i.e., intermolecular O-H, H-H, and O-O correlation lengths from neutron scattering. KW - water KW - potential ene rgy surface KW - RIXS Y1 - 2022 U6 - https://doi.org/10.1073/pnas.2118101119 SN - 1091-6490 VL - 119 IS - 28 PB - National Acad. of Sciences CY - Washington, DC ER - TY - JOUR A1 - Kapernaum, Nadia A1 - Lange, Alyna A1 - Ebert, Max A1 - Grunwald, Marco A. A1 - Häge, Christian A1 - Marino, Sebastian A1 - Zens, Anna A1 - Taubert, Andreas A1 - Gießelmann, Frank A1 - Laschat, Sabine T1 - Current topics in ionic liquid crystals JF - ChemPlusChem N2 - Ionic liquid crystals (ILCs), that is, ionic liquids exhibiting mesomorphism, liquid crystalline phases, and anisotropic properties, have received intense attention in the past years. Among others, this is due to their special properties arising from the combination of properties stemming from ionic liquids and from liquid crystalline arrangements. Besides interesting fundamental aspects, ILCs have been claimed to have tremendous application potential that again arises from the combination of properties and architectures that are not accessible otherwise, or at least not accessible easily by other strategies. The current review highlights recent developments in ILC research, starting with some key fundamental aspects. Further subjects covered include the synthesis and variations of modern ILCs, including the specific tuning of their mesomorphic behavior. The review concludes with reflections on some applications that may be within reach for ILCs and finally highlights a few key challenges that must be overcome prior and during true commercialization of ILCs. KW - electrochemistry KW - ionic liquid crystals KW - mesogen mesophases KW - self-assembly KW - X-ray diffraction Y1 - 2021 U6 - https://doi.org/10.1002/cplu.202100397 SN - 2192-6506 VL - 87 IS - 1 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Verweij, Marco A1 - Ney, Steven A1 - Thompson, Michael T1 - Cultural Theory’s contributions to climate science BT - reply to Hansson JF - European journal for philosophy of science N2 - In his article, 'Social constructionism and climate science denial', Hansson claims to present empirical evidence that the cultural theory developed by Dame Mary Douglas, Aaron Wildavsky and ourselves (among others) leads to (climate) science denial. In this reply, we show that there is no validity to these claims. First, we show that Hansson's empirical evidence that cultural theory has led to climate science denial falls apart under closer inspection. Contrary to Hansson's claims, cultural theory has made significant contributions to understanding and addressing climate change. Second, we discuss various features of Douglas' cultural theory that differentiate it from other constructivist approaches and make it compatible with the scientific method. Thus, we also demonstrate that cultural theory cannot be accused of epistemic relativism. KW - Mary Douglas KW - Aaron Wildavsky KW - Cultural theory KW - Climate change Y1 - 2022 U6 - https://doi.org/10.1007/s13194-022-00464-y SN - 1879-4912 SN - 1879-4920 VL - 12 IS - 2 PB - Springer CY - Dordrecht ER - TY - JOUR A1 - Aral, Tuğçe A1 - Schachner, Maja K. A1 - Juang, Linda P. A1 - Schwarzenthal, Miriam T1 - Cultural diversity approaches in schools and adolescents’ willingness to support refugee youth JF - British journal of educational psychology / British Psychological Society N2 - Background Culturally diverse schools contribute to adolescents' intergroup relations. Complex and inclusive social identities are mechanisms that can explain the link between structural school cultural diversity (i.e., proportion of students of immigrant descent and the number of different ethnic groups) and positive intergroup relations. We expected that similar mechanisms might be at play linking cultural diversity approaches in schools with adolescents' intergroup relations. Aim We examined the link between two sub-dimensions of cultural diversity approaches (i.e., equal treatment; heritage and intercultural learning) and adolescents' prosocial intentions and behaviour towards refugee youth. Then, we explored the mediating role of identity inclusiveness (i.e., perceived similarity of the self with others). Sample and methods We sampled culturally diverse eighth grade adolescents from 54 classrooms in Berlin (N = 503, M-age = 13.76 years, 50.6% female). Surveys measured perceived cultural diversity norms, adolescents' perceived identity inclusiveness with refugee youth, prosocial intentions to support refugee youth, and willingness to donate to a project for refugee youth. Results Multilevel models revealed that adolescents' perception of heritage and intercultural learning predicted adolescents' prosocial intentions towards refugee youth, but not their willingness to donate. Equal treatment was not a significant predictor of adolescents' prosocial intentions towards refugee youth, or their willingness to donate. Identity inclusiveness did not mediate the relation between cultural diversity approaches and prosocial intentions. However, identity inclusiveness did positively relate adolescents' prosocial intentions and willingness to donate. Conclusions We conclude that culturally diverse schools that engage in heritage and intercultural learning might help to promote positive relations between local and refugee youth in schools and society. Fostering inclusive identities may enhance local adolescent's prosocial intention and behaviour. KW - equal treatment KW - heritage and intercultural learning KW - prosocial KW - intentions KW - prosocial behaviour KW - identity inclusiveness KW - refugee youth Y1 - 2021 U6 - https://doi.org/10.1111/bjep.12458 SN - 0007-0998 SN - 2044-8279 VL - 92 IS - 2 SP - 772 EP - 799 PB - Wiley-Blackwell CY - Oxford ER - TY - JOUR A1 - Omranian, Sara A1 - Nikoloski, Zoran T1 - CUBCO+: prediction of protein complexes based on min-cut network partitioning into biclique spanned subgraphs JF - Applied Network Science N2 - High-throughput proteomics approaches have resulted in large-scale protein–protein interaction (PPI) networks that have been employed for the prediction of protein complexes. However, PPI networks contain false-positive as well as false-negative PPIs that affect the protein complex prediction algorithms. To address this issue, here we propose an algorithm called CUBCO+ that: (1) employs GO semantic similarity to retain only biologically relevant interactions with a high similarity score, (2) based on link prediction approaches, scores the false-negative edges, and (3) incorporates the resulting scores to predict protein complexes. Through comprehensive analyses with PPIs from Escherichia coli, Saccharomyces cerevisiae, and Homo sapiens, we show that CUBCO+ performs as well as the approaches that predict protein complexes based on recently introduced graph partitions into biclique spanned subgraphs and outperforms the other state-of-the-art approaches. Moreover, we illustrate that in combination with GO semantic similarity, CUBCO+ enables us to predict more accurate protein complexes in 36% of the cases in comparison to CUBCO as its predecessor. KW - Protein complexes KW - Protein–protein interaction KW - Network clustering KW - Species comparison Y1 - 2022 U6 - https://doi.org/10.1007/s41109-022-00508-5 SN - 2364-8228 VL - 7 PB - Springer International Publishing CY - Cham ER - TY - JOUR A1 - Crovetto, Andrea A1 - Kojda, Danny A1 - Yi, Feng A1 - Heinselman, Karen N. A1 - LaVan, David A. A1 - Habicht, Klaus A1 - Unold, Thomas A1 - Zakutayev, Andriy T1 - Crystallize It before It diffuses BT - kinetic stabilization of thin-film phosphorus-rich semiconductor CuP2 JF - Journal of the american chemical society N2 - Numerous phosphorus-rich metal phosphides containing both P-P bonds and metal-P bonds are known from the solid-state chemistry literature. A method to grow these materials in thin-film form would be desirable, as thin films are required in many applications and they are an ideal platform for high-throughput studies. In addition, the high density and smooth surfaces achievable in thin films are a significant advantage for characterization of transport and optical properties. Despite these benefits, there is hardly any published work on even the simplest binary phosphorus-rich phosphide films. Here, we demonstrate growth of single-phase CuP2 films by a two-step process involving reactive sputtering of amorphous CuP2+x and rapid annealing in an inert atmosphere. At the crystallization temperature, CuP2 is thermodynamically unstable with respect to Cu3P and P-4. However, CuP2 can be stabilized if the amorphous precursors are mixed on the atomic scale and are sufficiently close to the desired composition (neither too P poor nor too P rich). Fast formation of polycrystalline CuP2, combined with a short annealing time, makes it possible to bypass the diffusion processes responsible for decomposition. We find that thin-film CuP2 is a 1.5 eV band gap semiconductor with interesting properties, such as a high optical absorption coefficient (above 10(5) cm(-1)), low thermal conductivity (1.1 W/(K m)), and composition-insensitive electrical conductivity (around 1 S/cm). We anticipate that our processing route can be extended to other phosphorus-rich phosphides that are still awaiting thin-film synthesis and will lead to a more complete understanding of these materials and of their potential applications. Y1 - 2022 U6 - https://doi.org/10.1021/jacs.2c04868 SN - 0002-7863 SN - 1520-5126 VL - 144 IS - 29 SP - 13334 EP - 13343 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Biegert, Thomas A1 - Brady, David A1 - Hipp, Lena T1 - Cross-national variation in the relationship between welfare generosity and single mother employment JF - The annals of the American Academy of Political and Social Science N2 - Reform of the U.S. welfare system in 1996 spurred claims that cuts to welfare programs effectively incentivized single mothers to find employment. It is difficult to assess the veracity of those claims, however, absent evidence of how the relationship between welfare benefits and single mother employment generalizes across countries. This study combines data from the European Union Labour Force Survey and the U.S. Current Population Survey (1992-2015) into one of the largest samples of single mothers ever, testing the relationships between welfare generosity and single mothers’ employment and work hours. We find no consistent evidence of a negative relationship between welfare generosity and single mother employment outcomes. Rather, we find tremendous cross-national heterogeneity, which does not clearly correspond to well-known institutional variations. Our findings demonstrate the limitations of single country studies and the pervasive, salient interactions between institutional contexts and social policies. KW - single mothers KW - employment KW - welfare state benefits KW - cross-national KW - heterogeneity Y1 - 2022 U6 - https://doi.org/10.1177/00027162221120760 SN - 0002-7162 SN - 1552-3349 VL - 702 IS - 1 SP - 37 EP - 54 PB - SAGE Publishing CY - Thousand Oaks ER - TY - JOUR A1 - Schwarzenthal, Miriam A1 - Juang, Linda P. A1 - Moffitt, Ursula A1 - Schachner, Maja K. T1 - Critical consciousness socialization at school BT - classroom climate, perceived societal islamophobia, and critical action among adolescents JF - Journal of research on adolescence : the official journal of the Society for Research on Adolescence N2 - Schools are key contexts for the development of adolescents' critical consciousness. We explored how three dimensions of the classroom cultural diversity climate (critical consciousness, color-evasion, and multiculturalism) related to adolescents' critical reflection (i.e., perceived societal Islamophobia) and intended critical action (i.e., political activism). Our sample included adolescents experiencing high (second generation, Muslim, N = 237) versus low (non-immigrant descent, non-Muslim, N = 478) stigmatization in Germany. Multilevel analyses revealed that for both groups a critical consciousness climate, but not a color-evasive or a multicultural climate, was positively associated with perceived societal Islamophobia and intended critical action. Thus, to promote adolescents' critical consciousness, schools should go beyond emphasizing a common humanity and celebrating cultural diversity and include explicit discussions of social inequity. KW - critical consciousness KW - classroom cultural diversity climate KW - Islamophobia KW - adolescents Y1 - 2022 U6 - https://doi.org/10.1111/jora.12713 SN - 1050-8392 SN - 1532-7795 VL - 32 IS - 4 SP - 1452 EP - 1469 PB - Wiley CY - Hoboken ER - TY - JOUR A1 - Wittig, Alice A1 - Miranda, Fabio Malcher A1 - Hölzer, Martin A1 - Altenburg, Tom A1 - Bartoszewicz, Jakub Maciej A1 - Beyvers, Sebastian A1 - Dieckmann, Marius Alfred A1 - Genske, Ulrich A1 - Giese, Sven Hans-Joachim A1 - Nowicka, Melania A1 - Richard, Hugues A1 - Schiebenhoefer, Henning A1 - Schmachtenberg, Anna-Juliane A1 - Sieben, Paul A1 - Tang, Ming A1 - Tembrockhaus, Julius A1 - Renard, Bernhard Y. A1 - Fuchs, Stephan T1 - CovRadar BT - continuously tracking and filtering SARS-CoV-2 mutations for genomic surveillance JF - Bioinformatics N2 - The ongoing pandemic caused by SARS-CoV-2 emphasizes the importance of genomic surveillance to understand the evolution of the virus, to monitor the viral population, and plan epidemiological responses. Detailed analysis, easy visualization and intuitive filtering of the latest viral sequences are powerful for this purpose. We present CovRadar, a tool for genomic surveillance of the SARS-CoV-2 Spike protein. CovRadar consists of an analytical pipeline and a web application that enable the analysis and visualization of hundreds of thousand sequences. First, CovRadar extracts the regions of interest using local alignment, then builds a multiple sequence alignment, infers variants and consensus and finally presents the results in an interactive app, making accessing and reporting simple, flexible and fast. Y1 - 2022 U6 - https://doi.org/10.1093/bioinformatics/btac411 SN - 1367-4803 SN - 1367-4811 VL - 38 IS - 17 SP - 4223 EP - 4225 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Bögelein, Nicole A1 - Eppert, Kerstin A1 - Roth, Viktoria A1 - Schmidt-Kleinert, Anja T1 - Courtroom ethnography in the context of terrorism BT - a multi-level approach JF - International journal of qualitative methods : IJQM N2 - This paper addresses terrorism trials as sites of research and proposes an approach for the analysis of ethnographic data collected during these trials. The suggested approach offers multi-level analytical access, it centers around interactionist conceptions and knowledge discourses. The conceptual framework we suggest is spelled out in terms of how to observe and being sensitive of (re-)production of power structures inside the courtroom as well as in regard to relations imported into the courtroom. For this purpose, we integrate (i) the micro-level of courtroom interactions and (ii) (self-)presentation, (iii) the meso-level of knowledge (re)production and the establishment of knowledge orders and (iv) an intersectional perspective on gender, race, and class in knowledge discourses. By applying a multi-level approach, we open up new explanatory avenues to understand the constitution of terrorism as a socio-legal object. The methodical framework connects hitherto unconnected elements, that is, participants' interactions and negotiation, their (self-)representations, ascriptions and narrative performances, and knowledge (re-)production in order to establish or maintain political and social orders. KW - trials KW - terrorism KW - radicalisation KW - extremism KW - courtroom KW - ethnography; KW - methodology KW - interactionist KW - knowledge discourse Y1 - 2022 U6 - https://doi.org/10.1177/16094069221090059 SN - 1609-4069 VL - 21 PB - Sage Publishing CY - Thousand Oaks ER - TY - JOUR A1 - Nemati, Somayyeh A1 - Henkel, Carsten A1 - Anders, Janet T1 - Coupling function from bath density of states JF - epl : a letters journal exploring the frontiers of physics N2 - Modelling of an open quantum system requires knowledge of parameters that specify how it couples to its environment. However, beyond relaxation rates, realistic parameters for specific environments and materials are rarely known. Here we present a method of inferring the coupling between a generic system and its bosonic (e.g., phononic) environment from the experimentally measurable density of states (DOS). With it we confirm that the DOS of the well-known Debye model for three-dimensional solids is physically equivalent to choosing an Ohmic bath. We further match a real phonon DOS to a series of Lorentzian coupling functions, allowing us to determine coupling parameters for gold, yttrium iron garnet (YIG) and iron as examples. The results illustrate how to obtain material-specific dynamical properties, such as memory kernels. The proposed method opens the door to more accurate modelling of relaxation dynamics, for example for phonon-dominated spin damping in magnetic materials. Y1 - 2022 U6 - https://doi.org/10.1209/0295-5075/ac7b42 SN - 0295-5075 SN - 1286-4854 VL - 139 IS - 3 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Fruhstorfer, Anna A1 - Hudson, Alexander T1 - Costs and benefits of accepting presidential term limits BT - should I stay or should I go? JF - Democratization N2 - As presidents approach the end of their constitutionally defined term in office, they face a number of difficulties, most importantly the deprivation of sources of power, personal enrichment, and protection from prosecution. This leads many of them to attempt to circumvent their term limits. Recent studies explain both the reasons for the extension or full abolition of term limits, and failed attempts to do so. Key explanations include electoral competition and the post-term fate of previous post holders. What we do not know yet is how compliance with term limits may be tied to the current president's expectations for their post-term fate. In particular, we do not know whether leaders who attempt to remove term limits and fail to do so jeopardize their post-term career as a result, and conversely, whether leaders who comply will have better outcomes in terms of security, prestige, and economic gain. Hence, we ask how the decision of a leader to comply or not comply with term limits is conditioned by the expectation of their post-term fate. To address this question, this article introduces new data on the career trajectories of term-limited presidents and its systematic effect on term limit compliance. KW - Presidents KW - head of state KW - term limits KW - executives KW - corruption KW - prestige KW - institutional change KW - constitutions Y1 - 2021 U6 - https://doi.org/10.1080/13510347.2021.1960314 SN - 1351-0347 SN - 1743-890X VL - 29 IS - 1 SP - 93 EP - 112 PB - Routledge, Taylor & Francis Group CY - Abingdon ER - TY - JOUR A1 - Maiti, Snehanshu A1 - Makwana, Kirit A1 - Zhang, Heshou A1 - Yan, Huirong T1 - Cosmic-ray transport in magnetohydrodynamic turbulence JF - The astrophysical journal : an international review of spectroscopy and astronomical physics / part 1 N2 - This paper studies cosmic-ray (CR) transport in magnetohydrodynamic (MHD) turbulence. CR transport is strongly dependent on the properties of the magnetic turbulence. We perform test particle simulations to study the interactions of CR with both total MHD turbulence and decomposed MHD modes. The spatial diffusion coefficients and the pitch angle scattering diffusion coefficients are calculated from the test particle trajectories in turbulence. Our results confirm that the fast modes dominate the CR propagation, whereas Alfven and slow modes are much less efficient and have shown similar pitch-angle scattering rates. We investigate the cross field transport on large and small scales. On large/global scales, normal diffusion is observed and the diffusion coefficient is suppressed by M-A(zeta) compared to the parallel diffusion coefficients, with zeta closer to 4 in Alfven modes than that in total turbulence, as theoretically expected. For the CR transport on scales smaller than the turbulence injection scale, both the local and global magnetic reference frames are adopted. Superdiffusion is observed on such small scales in all the cases. Particularly, CR transport in Alfven modes show clear Richardson diffusion in the local reference frame. The diffusion transitions smoothly from the Richardson's one with index 1.5 to normal diffusion as the particle mean free path decreases from lambda(parallel to) >> L to lambda(parallel to) << L, where L is the injection/coherence length of turbulence. Our results have broad applications to CRs in various astrophysical environments. Y1 - 2022 U6 - https://doi.org/10.3847/1538-4357/ac46c8 SN - 1538-4357 VL - 926 IS - 1 PB - Institute of Physics Publ. CY - London ER - TY - JOUR A1 - Heinze, Johannes T1 - Correction to: Heinze, Johannes: Herbivory by aboveground insects impacts plant root morphological traits. - Plant Ecology. - 221 (2020). - S. 725 - 732 JF - Plant ecology : an international journal Y1 - 2021 U6 - https://doi.org/10.1007/s11258-021-01194-6 SN - 1385-0237 SN - 1573-5052 VL - 223 IS - 115 PB - Springer CY - Dordrecht ER - TY - JOUR A1 - Wright, Michelle F. A1 - Wachs, Sebastian A1 - Yanagida, Takuya A1 - Sevcikova, Anna A1 - Dedkova, Lenka A1 - Bayraktar, Fatih A1 - Aoyama, Ikuko A1 - Kamble, Shanmukh A1 - Macháčková, Hana A1 - Li, Zheng A1 - Soudi, Shruti A1 - Lei, Li A1 - Shu, Chang T1 - Coping with Public and Private Face-to-Face and Cyber Victimization among Adolescents in Six Countries BT - roles of Severity and Country JF - International journal of environmental research and public health N2 - This study investigated the role of medium (face-to-face, cyber) and publicity (public, private) in adolescents' perceptions of severity and coping strategies (i.e., avoidant, ignoring, helplessness, social support seeking, retaliation) for victimization, while accounting for gender and cultural values. There were 3432 adolescents (ages 11-15, 49% girls) in this study; they were from China, Cyprus, the Czech Republic, India, Japan, and the United States. Adolescents completed questionnaires on individualism and collectivism, and ratings of coping strategies and severity for public face-to-face victimization, private face-to-face victimization, public cyber victimization, and private cyber victimization. Findings revealed similarities in adolescents' coping strategies based on perceptions of severity, publicity, and medium for some coping strategies (i.e., social support seeking, retaliation) but differential associations for other coping strategies (i.e., avoidance, helplessness, ignoring). The results of this study are important for prevention and intervention efforts because they underscore the importance of teaching effective coping strategies to adolescents, and to consider how perceptions of severity, publicity, and medium might influence the implementation of these coping strategies. KW - coping KW - country KW - culture KW - victimization KW - severity KW - cyberbullying KW - bullying Y1 - 2022 U6 - https://doi.org/10.3390/ijerph192114405 SN - 1661-7827 SN - 1660-4601 VL - 19 IS - 21 PB - MDPI CY - Basel ER - TY - JOUR A1 - Rodriguez Piceda, Constanza A1 - Scheck-Wenderoth, Magdalena A1 - Bott, Judith A1 - Gomez Dacal, Maria Laura A1 - Cacace, Mauro A1 - Pons, Michael A1 - Prezzi, Claudia A1 - Strecker, Manfred T1 - Controls of the Lithospheric Thermal Field of an Ocean-Continent Subduction Zone BT - the Southern Central Andes JF - Lithosphere / Geological Society of America N2 - In an ocean-continent subduction zone, the assessment of the lithospheric thermal state is essential to determine the controls of the deformation within the upper plate and the dip angle of the subducting lithosphere. In this study, we evaluate the degree of influence of both the configuration of the upper plate (i.e., thickness and composition of the rock units) and variations of the subduction angle on the lithospheric thermal field of the southern Central Andes (29 degrees-39 degrees S). Here, the subduction angle increases from subhorizontal (5 degrees) north of 33 degrees S to steep (similar to 30 degrees) in the south. We derived the 3D temperature and heat flow distribution of the lithosphere in the southern Central Andes considering conversion of S wave tomography to temperatures together with steady-state conductive thermal modeling. We found that the orogen is overall warmer than the forearc and the foreland and that the lithosphere of the northern part of the foreland appears colder than its southern counterpart. Sedimentary blanketing and the thickness of the radiogenic crust exert the main control on the shallow thermal field (<50km depth). Specific conditions are present where the oceanic slab is relatively shallow (<85 km depth) and the radiogenic crust is thin. This configuration results in relatively colder temperatures compared to regions where the radiogenic crust is thick and the slab is steep. At depths >50km, the temperatures of the overriding plate are mainly controlled by the mantle heat input and the subduction angle. The thermal field of the upper plate likely preserves the flat subduction angle and influences the spatial distribution of shortening. Y1 - 2022 U6 - https://doi.org/10.2113/2022/2237272 SN - 1941-8264 SN - 1947-4253 VL - 2022 IS - 1 PB - GeoScienceWorld CY - McLean ER - TY - JOUR A1 - Liu, Sibiao A1 - Sobolev, Stephan A1 - Babeyko, Andrey A1 - Pons, Michaël T1 - Controls of the foreland deformation pattern in the orogen-foreland shortening system BT - constraints from high-resolution geodynamic models JF - Tectonics N2 - Controls on the deformation pattern (shortening mode and tectonic style) of orogenic forelands during lithospheric shortening remain poorly understood. Here, we use high-resolution 2D thermomechanical models to demonstrate that orogenic crustal thickness and foreland lithospheric thickness significantly control the shortening mode in the foreland. Pure-shear shortening occurs when the orogenic crust is not thicker than the foreland crust or thick, but the foreland lithosphere is thin (<70-80 km, as in the Puna foreland case). Conversely, simple-shear shortening, characterized by foreland underthrusting beneath the orogen, arises when the orogenic crust is much thicker. This thickened crust results in high gravitational potential energy in the orogen, which triggers the migration of deformation to the foreland under further shortening. Our models present fully thick-skinned, fully thin-skinned, and intermediate tectonic styles in the foreland. The first tectonics forms in a pure-shear shortening mode whereas the others require a simple-shear mode and the presence of thick (>similar to 4 km) sediments that are mechanically weak (friction coefficient 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 - Smith, Adam G. G. A1 - Fox, Matthew A1 - Schwanghart, Wolfgang A1 - Carter, Andrew T1 - Comparing methods for calculating channel steepness index JF - Earth science reviews : the international geological journal bridging the gap between research articles and textbooks N2 - Channel steepness index, k(s), is a metric derived from the stream power model that, under certain conditions, scales with relative rock uplift rate. Channel steepness index is a property of rivers, which can be relatively easily extracted from digital elevation models (DEMs). As DEM data sets are widely available for Earth and are becoming more readily available for other planetary bodies, channel steepness index represents a powerful tool for interpreting tectonic processes. However, multiple approaches to calculate channel steepness index exist. From this several important questions arise; does choice of approach change the values of channel steepness index, can values be so different that choice of approach can influence the findings of a study, and are certain approaches better than others? With the aid of a synthetic river profile and a case study from the Sierra Nevada, California, we show that values of channel steepness index vary over orders of magnitude according to the methodology used in the calculation. We explore the limitations, advantages and disadvantages of the key approaches to calculating channel steepness index, and find that choosing an appropriate approach relies on the context of a study. Given these observations, it is important that authors acknowledge the methodology used to calculate channel steepness index, to ensure that results can be contextualised and reproduced. KW - Channel steepness index KW - Fluvial geomorphology KW - Rivers KW - Tectonics KW - Geomorphology KW - Digital elevation models KW - Sierra nevada Y1 - 2022 U6 - https://doi.org/10.1016/j.earscirev.2022.103970 SN - 0012-8252 SN - 1872-6828 VL - 227 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Potente, Giacomo A1 - Léveillé-Bourret, Étienne A1 - Yousefi, Narjes A1 - Choudhury, Rimjhim Roy A1 - Keller, Barbara A1 - Diop, Seydina Issa A1 - Duijsings, Daniël A1 - Pirovano, Walter A1 - Lenhard, Michael A1 - Szövényi, Péter A1 - Conti, Elena T1 - Comparative genomics elucidates the origin of a supergene controlling floral heteromorphism JF - Molecular biology and evolution : MBE N2 - Supergenes are nonrecombining genomic regions ensuring the coinheritance of multiple, coadapted genes. Despite the importance of supergenes in adaptation, little is known on how they originate. A classic example of supergene is the S locus controlling heterostyly, a floral heteromorphism occurring in 28 angiosperm families. In Primula, heterostyly is characterized by the cooccurrence of two complementary, self-incompatible floral morphs and is controlled by five genes clustered in the hemizygous, ca. 300-kb S locus. Here, we present the first chromosome-scale genome assembly of any heterostylous species, that of Primula veris (cowslip). By leveraging the high contiguity of the P. veris assembly and comparative genomic analyses, we demonstrated that the S-locus evolved via multiple, asynchronous gene duplications and independent gene translocations. Furthermore, we discovered a new whole-genome duplication in Ericales that is specific to the Primula lineage. We also propose a mechanism for the origin of S-locus hemizygosity via nonhomologous recombination involving the newly discovered two pairs of CFB genes flanking the S locus. Finally, we detected only weak signatures of degeneration in the S locus, as predicted for hemizygous supergenes. The present study provides a useful resource for future research addressing key questions on the evolution of supergenes in general and the S locus in particular: How do supergenes arise? What is the role of genome architecture in the evolution of complex adaptations? Is the molecular architecture of heterostyly supergenes across angiosperms similar to that of Primula? KW - genome architecture KW - supergene KW - heterostyly KW - evolutionary genomics KW - chromosome-scale genome assembly KW - primula Y1 - 2022 U6 - https://doi.org/10.1093/molbev/msac035 SN - 0737-4038 SN - 1537-1719 VL - 39 IS - 2 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Wendering, Philipp A1 - Nikoloski, Zoran T1 - COMMIT BT - Consideration of metabolite leakage and community composition improves microbial community reconstructions JF - PLoS Computational Biology : a new community journal / publ. by the Public Library of Science (PLoS) in association with the International Society for Computational Biology (ISCB) N2 - Composition and functions of microbial communities affect important traits in diverse hosts, from crops to humans. Yet, mechanistic understanding of how metabolism of individual microbes is affected by the community composition and metabolite leakage is lacking. Here, we first show that the consensus of automatically generated metabolic reconstructions improves the quality of the draft reconstructions, measured by comparison to reference models. We then devise an approach for gap filling, termed COMMIT, that considers metabolites for secretion based on their permeability and the composition of the community. By applying COMMIT with two soil communities from the Arabidopsis thaliana culture collection, we could significantly reduce the gap-filling solution in comparison to filling gaps in individual reconstructions without affecting the genomic support. Inspection of the metabolic interactions in the soil communities allows us to identify microbes with community roles of helpers and beneficiaries. Therefore, COMMIT offers a versatile fully automated solution for large-scale modelling of microbial communities for diverse biotechnological applications.
Author summaryMicrobial communities are important in ecology, human health, and crop productivity. However, detailed information on the interactions within natural microbial communities is hampered by the community size, lack of detailed information on the biochemistry of single organisms, and the complexity of interactions between community members. Metabolic models are comprised of biochemical reaction networks based on the genome annotation, and can provide mechanistic insights into community functions. Previous analyses of microbial community models have been performed with high-quality reference models or models generated using a single reconstruction pipeline. However, these models do not contain information on the composition of the community that determines the metabolites exchanged between the community members. In addition, the quality of metabolic models is affected by the reconstruction approach used, with direct consequences on the inferred interactions between community members. Here, we use fully automated consensus reconstructions from four approaches to arrive at functional models with improved genomic support while considering the community composition. We applied our pipeline to two soil communities from the Arabidopsis thaliana culture collection, providing only genome sequences. Finally, we show that the obtained models have 90% genomic support and demonstrate that the derived interactions are corroborated by independent computational predictions. Y1 - 2022 U6 - https://doi.org/10.1371/journal.pcbi.1009906 SN - 1553-734X SN - 1553-7358 VL - 18 IS - 3 PB - Public Library of Science CY - San Fransisco ER - TY - JOUR A1 - Prol, Fabricio S. A1 - Smirnov, Artem G. A1 - Hoque, M. Mainul A1 - Shprits, Yuri Y. T1 - Combined model of topside ionosphere and plasmasphere derived from radio-occultation and Van Allen Probes data JF - Scientific reports N2 - In the last years, electron density profile functions characterized by a linear dependence on the scale height showed good results when approximating the topside ionosphere. The performance above 800 km, however, is not yet well investigated. This study investigates the capability of the semi-Epstein functions to represent electron density profiles from the peak height up to 20,000 km. Electron density observations recorded by the Van Allen Probes were used to resolve the scale height dependence in the plasmasphere. It was found that the linear dependence of the scale height in the topside ionosphere cannot be directly used to extrapolate profiles above 800 km. We find that the dependence of scale heights on altitude is quadratic in the plasmasphere. A statistical model of the scale heights is therefore proposed. After combining the topside ionosphere and plasmasphere by a unified model, we have obtained good estimations not only in the profile shapes, but also in the Total Electron Content magnitude and distributions when compared to actual measurements from 2013, 2014, 2016 and 2017. Our investigation shows that Van Allen Probes can be merged to radio-occultation data to properly represent the upper ionosphere and plasmasphere by means of a semi-Epstein function. Y1 - 2022 U6 - https://doi.org/10.1038/s41598-022-13302-1 SN - 2045-2322 VL - 12 IS - 1 PB - Macmillan Publishers Limited, part of Springer Nature CY - London ER - TY - JOUR A1 - Pham, Duong Tung A1 - Quan, Ting A1 - Mei, Shilin A1 - Lu, Yan T1 - Colloidal metal sulfide nanoparticles for high performance electrochemical energy storage systems JF - Current opinion in green and sustainable chemistry N2 - Transition metal sulfides have emerged as excellent replacement candidates of traditional insertion electrode materials based on their conversion or alloying mechanisms, facilitating high specific capacity and rate ability. However, parasitic reactions such as massive volume change during the discharge/ charge processes, intermediate polysulfide dissolution, and passivating solid electrolyte interface formation have led to poor cyclability, hindering their feasibility and applicability in energy storage systems. Colloidal metal sulfide nanoparticles, a special class that integrates the intrinsic chemical properties of metal sulfides and their specified structural features, have fairly enlarged their contribution due to the synergistic effect. This review highlights the latest synthetic approaches based on colloidal process. Their corresponding electrochemical outcomes will also be discussed, which are thoroughly updated along with their insight scientific standpoints. Y1 - 2022 U6 - https://doi.org/10.1016/j.cogsc.2022.100596 SN - 2452-2236 VL - 34 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Omel'chenko, Oleh A1 - Laing, Carlo R. T1 - Collective states in a ring network of theta neurons JF - Proceedings of the Royal Society of London. Series A, Mathematical, physical and engineering sciences N2 - We consider a ring network of theta neurons with non-local homogeneous coupling. We analyse the corresponding continuum evolution equation, analytically describing all possible steady states and their stability. By considering a number of different parameter sets, we determine the typical bifurcation scenarios of the network, and put on a rigorous footing some previously observed numerical results. KW - theta neurons KW - neural networks KW - bumps Y1 - 2022 U6 - https://doi.org/10.1098/rspa.2021.0817 SN - 1364-5021 SN - 1471-2946 VL - 478 IS - 2259 PB - Royal Society CY - London ER - TY - JOUR A1 - Abramova, Olga A1 - Batzel, Katharina A1 - Modesti, Daniela T1 - Collective response to the health crisis among German Twitter users BT - a structural topic modeling approach JF - International Journal of Information Management Data Insights N2 - We used structural topic modeling to analyze over 800,000 German tweets about COVID-19 to answer the questions: What patterns emerge in tweets as a response to a health crisis? And how do topics discussed change over time? The study leans on the goals associated with the health information seeking (GAINS) model, discerning whether a post aims at tackling and eliminating the problem (i.e., problem-focused) or managing the emotions (i.e., emotion-focused); whether it strives to maximize positive outcomes (promotion focus) or to minimize negative outcomes (prevention focus). The findings indicate four clusters salient in public reactions: 1) “Understanding” (problem-promotion); 2) “Action planning” (problem-prevention); 3) “Hope” (emotion-promotion) and 4) “Reassurance” (emotion-prevention). Public communication is volatile over time, and a shift is evidenced from self-centered to community-centered topics within 4.5 weeks. Our study illustrates social media text mining's potential to quickly and efficiently extract public opinions and reactions. Monitoring fears and trending topics enable policymakers to rapidly respond to deviant behavior, like resistive attitudes toward containment measures or deteriorating physical health. Healthcare workers can use the insights to provide mental health services for battling anxiety or extensive loneliness from staying home. KW - social media KW - Twitter KW - modeling KW - regulatory focus theory KW - crisis management KW - text mining Y1 - 2022 U6 - https://doi.org/10.1016/j.jjimei.2022.100126 SN - 2667-0968 VL - 2 IS - 2 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Damle, Mitali A1 - Sparre, Martin A1 - Richter, Philipp A1 - Hani, Maan H. A1 - Nuza, Sebastian A1 - Pfrommer, Christoph A1 - Grand, Robert J. J. A1 - Hoffman, Yehuda A1 - Libeskind, Noam A1 - Sorce, Jenny A1 - Steinmetz, Mathias A1 - Tempel, Elmo A1 - Vogelsberger, Mark A1 - Wang, Peng T1 - Cold and hot gas distribution around the Milky-Way – M31 system in the HESTIA simulations JF - Monthly notices of the Royal Astronomical Society N2 - Recent observations have revealed remarkable insights into the gas reservoir in the circumgalactic medium (CGM) of galaxy haloes. In this paper, we characterise the gas in the vicinity of Milky Way and Andromeda analogues in the hestia (High resolution Environmental Simulations of The Immediate Area) suite of constrained Local Group (LG) simulations. The hestia suite comprise of a set of three high-resolution arepo-based simulations of the LG, run using the Auriga galaxy formation model. For this paper, we focus only on the 𝑧 = 0 simulation datasets and generate mock skymaps along with a power spectrum analysis to show that the distributions of ions tracing low-temperature gas (H i and Si iii) are more clumpy in comparison to warmer gas tracers (O vi, O vii and O viii). We compare to the spectroscopic CGM observations of M31 and low-redshift galaxies. hestia under-produces the column densities of the M31 observations, but the simulations are consistent with the observations of low-redshift galaxies. A possible explanation for these findings is that the spectroscopic observations of M31 are contaminated by gas residing in the CGM of the Milky Way. KW - software: data analysis KW - software: simulations KW - Galaxy: evolution KW - galaxies: evolution KW - galaxies: Local Group Y1 - 2022 U6 - https://doi.org/10.1093/mnras/stac663 SN - 0035-8711 SN - 1365-2966 VL - 512 SP - 3717 EP - 3737 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Dahlke, Sandro A1 - Solbès, Amélie A1 - Maturilli, Marion T1 - Cold air outbreaks in fram strait: climatology, trends, and observations during an extreme season in 2020 JF - Journal of geophysical research : atmospheres N2 - Fram Strait in the northern North Atlantic is a key region for marine cold air outbreaks (MCAOs), southward discharges of polar air under northerly air flow, which have a strong impact on air-sea heat fluxes, boundary layer processes and severe weather. This study investigates climatologies and decadal trends of Fram Strait MCAOs of different intensity classes based on the ERA5 reanalysis product for 1979-2020. Among striking interannual variability, it is shown that the main MCAO season is December through March, when MCAOs occur around 2/3 of the time. We report on significant decadal MCAO decreases in December and January, and a significant increase in March. While the mid-winter decrease is mainly related to the different paces of warming between the surface and the lower atmosphere, the increase in March can be related to changes in synoptic circulation patterns. As an explanation for the latter, a possible feedback between retreating Barents Sea sea ice, enhanced cyclonic activity and Fram Strait MCAOs is postulated. Exemplifying the trend toward stronger MCAOs during March, the study details the recordbreaking MCAO season in early 2020, and an observational case study of an extreme MCAO event in March 2020 is conducted. Thereby, radiosonde observations are combined with kinematic air back-trajectories to provide rare observational evidence for the diabatic cooling and drying during the MCAO preconditioning phase. KW - cold air outbreak KW - North Atlantic variability KW - air mass transformation; KW - ocean-atmosphere energy exchange Y1 - 2022 U6 - https://doi.org/10.1029/2021JD035741 SN - 2169-897X SN - 2169-8996 VL - 127 IS - 3 PB - American Geophysical Union CY - Washington ER - TY - JOUR A1 - Sieber, Melanie Jutta A1 - Yaxley, Greg A1 - Hermann, Jörg T1 - COH-fluid induced metasomatism of peridotites in the forearc mantle JF - Contributions to Mineralogy and Petrology N2 - Devolatilization of subducting lithologies liberates COH-fluids. These may become partially sequestered in peridotites in the slab and the overlying forearc mantle, affecting the cycling of volatiles and fluid mobile elements in subduction zones. Here we assess the magnitudes, timescales and mechanism of channelized injection of COH-fluids doped with Ca-aq(2+), Sr-aq(2+) and Ba-aq(2+) into the dry forearc mantle by performing piston cylinder experiments between 1-2.5 GPa and 600-700 degrees C. Cylindrical cores of natural spinel-bearing harzburgites were used as starting materials. Based on mineral assemblage and composition three reaction zones are distinguishable from the rim towards the core of primary olivine and orthopyroxene grains. Zone 1 contains carbonates + quartz +/- kyanite and zone 2 contains carbonates + talc +/- chlorite. Olivine is further replaced in zone 3 by either antigorite+ magnesite or magnesite +talc within or above antigorite stability, respectively. Orthopyroxene is replaced in zone 3 by talc + chlorite. Mineral assemblages and the compositions of secondary minerals depend on fluid composition and the replaced primary silicate. The extent of alteration depends on fluid CO2 content and fluid/rock-ratio, and is further promoted by fluid permeable reaction zones and reaction driven cracking. Our results show that COH-fluid induced metasomatism of the forearc mantle is self-perpetuating and efficient at sequestering Ca-aq(2+), Sr-aq(2+), Ba-aq(2+) and CO2aq into newly formed carbonates. This process is fast with 90% of the available C sequestered and nearly 50% of the initial minerals altered at 650 degrees C, 2 GPa within 55 h. The dissolution of primary silicates under high COH-fluid/rock-ratios, as in channelized fluid flow, enriches SiO2aq in the fluid, while CO2aq is sequestered into carbonates. In an open system, the remaining CO2-depleted, Si-enriched aqueous fluid may cause Si-metasomatism in the forearc further away from the injection of the COH-fluid into peridotite. KW - Carbonation KW - Deep carbon cycle KW - COH-fluid KW - Forearc KW - HP-experiments Y1 - 2022 U6 - https://doi.org/10.1007/s00410-022-01905-w SN - 0010-7999 SN - 1432-0967 VL - 177 IS - 4 PB - Springer CY - New York ER - TY - JOUR A1 - Moradian, Hanieh A1 - Gossen, Manfred A1 - Lendlein, Andreas T1 - Co-delivery of genes can be confounded by bicistronic vector design JF - MRS Communications N2 - Maximizing the efficiency of nanocarrier-mediated co-delivery of genes for co-expression in the same cell is critical for many applications. Strategies to maximize co-delivery of nucleic acids (NA) focused largely on carrier systems, with little attention towards payload composition itself. Here, we investigated the effects of different payload designs: co-delivery of two individual "monocistronic" NAs versus a single bicistronic NA comprising two genes separated by a 2A self-cleavage site. Unexpectedly, co-delivery via the monocistronic design resulted in a higher percentage of co-expressing cells, while predictive co-expression via the bicistronic design remained elusive. Our results will aid the application-dependent selection of the optimal methodology for co-delivery of genes. KW - Molecular KW - Packaging KW - Protein Y1 - 2022 U6 - https://doi.org/10.1557/s43579-021-00128-7 SN - 2159-6859 SN - 2159-6867 VL - 12 IS - 2 SP - 145 EP - 153 PB - Springer CY - Heidelberg ER - TY - JOUR A1 - Al Laban, Firas A1 - Reger, Martin A1 - Lucke, Ulrike T1 - Closing the Policy Gap in the Academic Bridge JF - Education sciences N2 - The highly structured nature of the educational sector demands effective policy mechanisms close to the needs of the field. That is why evidence-based policy making, endorsed by the European Commission under Erasmus+ Key Action 3, aims to make an alignment between the domains of policy and practice. Against this background, this article addresses two issues: First, that there is a vertical gap in the translation of higher-level policies to local strategies and regulations. Second, that there is a horizontal gap between educational domains regarding the policy awareness of individual players. This was analyzed in quantitative and qualitative studies with domain experts from the fields of virtual mobility and teacher training. From our findings, we argue that the combination of both gaps puts the academic bridge from secondary to tertiary education at risk, including the associated knowledge proficiency levels. We discuss the role of digitalization in the academic bridge by asking the question: which value does the involved stakeholders expect from educational policies? As a theoretical basis, we rely on the model of value co-creation for and by stakeholders. We describe the used instruments along with the obtained results and proposed benefits. Moreover, we reflect on the methodology applied, and we finally derive recommendations for future academic bridge policies. KW - policy evaluation KW - higher education KW - virtual mobility KW - teacher training Y1 - 2022 U6 - https://doi.org/10.3390/educsci12120930 SN - 2227-7102 VL - 12 IS - 12 PB - MDPI CY - Basel ER - TY - JOUR A1 - Awad, Emad A1 - Metzler, Ralf T1 - Closed-form multi-dimensional solutions and asymptotic behaviours for subdiffusive processes with crossovers: II. Accelerating case JF - Journal of physics : A, Mathematical and theoretical N2 - Anomalous diffusion with a power-law time dependence vertical bar R vertical bar(2)(t) similar or equal to t(alpha i) of the mean squared displacement occurs quite ubiquitously in numerous complex systems. Often, this anomalous diffusion is characterised by crossovers between regimes with different anomalous diffusion exponents alpha(i). Here we consider the case when such a crossover occurs from a first regime with alpha(1) to a second regime with alpha(2) such that alpha(2) > alpha(1), i.e., accelerating anomalous diffusion. A widely used framework to describe such crossovers in a one-dimensional setting is the bi-fractional diffusion equation of the so-called modified type, involving two time-fractional derivatives defined in the Riemann-Liouville sense. We here generalise this bi-fractional diffusion equation to higher dimensions and derive its multidimensional propagator (Green's function) for the general case when also a space fractional derivative is present, taking into consideration long-ranged jumps (Levy flights). We derive the asymptotic behaviours for this propagator in both the short- and long-time as well the short- and long-distance regimes. Finally, we also calculate the mean squared displacement, skewness and kurtosis in all dimensions, demonstrating that in the general case the non-Gaussian shape of the probability density function changes. KW - multidimensional fractional diffusion equation KW - continuous time random KW - walks KW - crossover anomalous diffusion dynamics KW - non-Gaussian probability KW - density Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac5a90 SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 20 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Płóciennik, Mateusz A1 - Zawiska, Izabela A1 - Rzodkiewicz, Monika A1 - Noryśkiewicz, Agnieszka M. A1 - Słowiński, Michał A1 - Müller, Daniela A1 - Brauer, Achim A1 - Antczak-Orlewska, Olga A1 - Kramkowski, Mateusz A1 - Peyron, Odile A1 - Nevalainen, Liisa A1 - Luoto, Tomi P. A1 - Kotrys, Bartosz A1 - Seppä, Heikki A1 - Bidaurreta, Jon Camuera A1 - Rudna, Marta A1 - Mielczarek, Małgorzata A1 - Zawisza, Edyta A1 - Janowska, Ewa A1 - Błaszkiewicz, Mirosław T1 - Climatic and hydrological variability as a driver of the Lake Gościąż biota during the Younger Dryas JF - Catena N2 - The Younger Dryas (YD) is a roughly 1,100-year cold period marking the end of the last glaciation. Climate modelling for northern Europe indicates high summer temperatures and strong continentality. In eastern Europe, the scale of temperature variation and its influence on ecosystems is weakly recognised. Here, we present a multi-proxy reconstruction of YD conditions from Lake Gos ' ciaz (central Poland). The decadal-resolution analysis of its annually varved sediments indicates an initial decrease in Chironomidae-inferred mean July air temperature followed by steady warming. The pollen-inferred winter-to-summer temperature amplitude and annual precip-itation is highest at the Allerod/YD transition and the early YD (ca. 12.7-12.4 ky cal BP) and YD/Holocene (11.7-11.4 ka cal BP) transition. Temperature and precipitation were the main reasons for lake level fluctuations as reflected in the planktonic/littoral Cladocera ratio. The lake's diatom-inferred total phosphorus decreased with increasing summer temperature from about mid YD. Windy conditions in the early YD until ~12.3 ka cal BP caused water mixing and a short-lived/temporary increase in nutrient availability for phytoplankton. The Chironomidae-inferred summer temperature and pollen inferred summer temperature, winter temperature and annual precipitation herein are one of only a few in eastern Europe conducted with such high resolution. KW - Late Glacial KW - Varved sediments KW - Climate reconstructions KW - Chironomidae KW - Cladocera KW - Pollen KW - Diatoms Y1 - 2022 U6 - https://doi.org/10.1016/j.catena.2022.106049 SN - 0341-8162 SN - 1872-6887 VL - 212 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - McCool, Weston C. A1 - Codding, Brian F. A1 - Vernon, Kenneth B. A1 - Wilson, Kurt M. A1 - Yaworsky, Peter M. A1 - Marwan, Norbert A1 - Kennett, Douglas J. T1 - Climate change-induced population pressure drives high rates of lethal violence in the Prehispanic central Andes JF - Proceedings of the National Academy of Sciences of the United States of America : PNAS N2 - Understanding the influence of climate change and population pressure on human conflict remains a critically important topic in the social sciences. Long-term records that evaluate these dynamics across multiple centuries and outside the range of modern climatic variation are especially capable of elucidating the relative effect of-and the interaction between-climate and demography. This is crucial given that climate change may structure population growth and carrying capacity, while both climate and population influence per capita resource availability. This study couples paleoclimatic and demographic data with osteological evaluations of lethal trauma from 149 directly accelerator mass spectrometry C-14-dated individuals from the Nasca highland region of Peru. Multiple local and supraregional precipitation proxies are combined with a summed probability distribution of 149 C-14 dates to estimate population dynamics during a 700-y study window. Counter to previous findings, our analysis reveals a precipitous increase in violent deaths associated with a period of productive and stable climate, but volatile population dynamics. We conclude that favorable local climate conditions fostered population growth that put pressure on the marginal and highly circumscribed resource base, resulting in violent resource competition that manifested in over 450 y of internecine warfare. These findings help support a general theory of intergroup violence, indicating that relative resource scarcity-whether driven by reduced resource abundance or increased competition-can lead to violence in subsistence societies when the outcome is lower per capita resource availability. KW - climate change KW - population pressure KW - warfare KW - lethal violence KW - Andes Y1 - 2022 U6 - https://doi.org/10.1073/pnas.2117556119 SN - 0027-8424 SN - 1091-6490 VL - 119 IS - 17 PB - National Acad. of Sciences CY - Washington ER - TY - JOUR A1 - Ramachandran, Srikanthan A1 - Rupakheti, Maheswar A1 - Cherian, R. A1 - Lawrence, Mark T1 - Climate Benefits of Cleaner Energy Transitions in East and South Asia Through Black Carbon Reduction JF - Frontiers in environmental science N2 - The state of air pollution has historically been tightly linked to how we produce and use energy. Air pollutant emissions over Asia are now changing rapidly due to cleaner energy transitions; however, magnitudes of benefits for climate and air quality remain poorly quantified. The associated risks involve adverse health impacts, reduced agricultural yields, reduced freshwater availability, contributions to climate change, and economic costs. We focus particularly on climate benefits of energy transitions by making first-time use of two decades of high quality observations of atmospheric loading of light-absorbing black carbon (BC) over Kanpur (South Asia) and Beijing (East Asia) and relating these observations to changing energy, emissions, and economic trends in India and China. Our analysis reveals that absorption aerosol optical depth (AAOD) due to BC has decreased substantially, by 40% over Kanpur and 60% over Beijing between 2001 and 2017, and thus became decoupled from regional economic growth. Furthermore, the resultant decrease in BC emissions and BC AAOD over Asia is regionally coherent and occurs primarily due to transitions into cleaner energies (both renewables and fossil fuels) and not due to the decrease in primary energy supply or decrease in use of fossil use and biofuels and waste. Model simulations show that BC aerosols alone contribute about half of the surface temperature change (warming) of the total forcing due to greenhouse gases, natural and internal variability, and aerosols, thus clearly revealing the climate benefits due to a reduction in BC emissions, which would significantly reduce global warming. However, this modeling study excludes responses from natural variability, circulation, and sea ice responses, which cause relatively strong temperature fluctuations that may mask signals from BC aerosols. Our findings show additional benefits for climate (beyond benefits of CO2 reduction) and for several other issues of sustainability over South and East Asia, provide motivation for ongoing cleaner energy production, and consumption transitions, especially when they are associated with reduced emissions of air pollutants. Such an analysis connecting the trends in energy transitions and aerosol absorption loading, unavailable so far, is crucial for simulating the aerosol climate impacts over Asia which is quite uncertain. KW - cleaner energy transitions KW - Asia KW - air pollution KW - black carbon KW - climate benefits Y1 - 2022 U6 - https://doi.org/10.3389/fenvs.2022.842319 SN - 2296-665X VL - 10 PB - Frontiers Media CY - Lausanne ER - TY - JOUR A1 - Vilk, Ohad A1 - Aghion, Erez A1 - Nathan, Ran A1 - Toledo, Sivan A1 - Metzler, Ralf A1 - Assaf, Michael T1 - Classification of anomalous diffusion in animal movement data using power spectral analysis JF - Journal of physics : A, Mathematical and theoretical N2 - The field of movement ecology has seen a rapid increase in high-resolution data in recent years, leading to the development of numerous statistical and numerical methods to analyse relocation trajectories. Data are often collected at the level of the individual and for long periods that may encompass a range of behaviours. Here, we use the power spectral density (PSD) to characterise the random movement patterns of a black-winged kite (Elanus caeruleus) and a white stork (Ciconia ciconia). The tracks are first segmented and clustered into different behaviours (movement modes), and for each mode we measure the PSD and the ageing properties of the process. For the foraging kite we find 1/f noise, previously reported in ecological systems mainly in the context of population dynamics, but not for movement data. We further suggest plausible models for each of the behavioural modes by comparing both the measured PSD exponents and the distribution of the single-trajectory PSD to known theoretical results and simulations. KW - diffusion KW - anomalous diffusion KW - power spectral analysis KW - ecological KW - movement data Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac7e8f SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 33 PB - IOP Publishing CY - Bristol ER - TY - JOUR A1 - Huang, Yizhen A1 - Richter, Eric A1 - Kleickmann, Thilo A1 - Richter, Dirk T1 - Class size affects preservice teachers' physiological and psychological stress reactions BT - an experiment in a virtual reality classroom JF - Computers & education : an international journal N2 - Teachers frequently express stress associated with teaching in large classrooms. Despite the timehonored tradition in teacher stress research of treating class size as a job-related stressor, the underlying premise that class size directly impacts teachers' stress reactions remains untested. In this randomized controlled experiment targeted at preservice teachers, we utilized a standardized virtual reality (VR) classroom to examine whether class size (number of student avatars) directly affected physiological (heart rate) or psychological (subjective rating) stress reactions among 65 preservice teachers. Results from linear mixed-effects modeling (LMM) showed that class size significantly predicted both their physiological and psychological stress reactions in the simulated environment: Average heart rate and subjective stress ratings were both significantly higher in the large class size condition. Further investigations into the causes of this association has been proposed. These findings may contribute to a better understanding of the effects of classroom features on preservice teachers' emotional experiences and well-being. KW - Augmented and virtual reality KW - Simulations KW - Improving classroom teaching KW - Media in education KW - Pedagogical issues Y1 - 2022 U6 - https://doi.org/10.1016/j.compedu.2022.104503 SN - 0360-1315 SN - 1873-782X VL - 184 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Schmidt, Max Oliver T1 - Church asylum as ultima ratio BT - fighting for access to German society JF - The condition of democracy. - Volume 2: Contesting citizenship Y1 - 2022 SN - 978-0-367-74536-3 SN - 978-1-00-315837-0 SP - 36 EP - 53 PB - Routledge CY - London ER - TY - JOUR A1 - Lindner, Nadja A1 - Moeller, Korbinian A1 - Hildebrandt, Frauke A1 - Hasselhorn, Marcus A1 - Lonnemann, Jan T1 - Children's use of egocentric reference frames in spatial language is related to their numerical magnitude understanding JF - Frontiers in Psychology N2 - Numerical magnitude information is assumed to be spatially represented in the form of a mental number line defined with respect to a body-centred, egocentric frame of reference. In this context, spatial language skills such as mastery of verbal descriptions of spatial position (e.g., in front of, behind, to the right/left) have been proposed to be relevant for grasping spatial relations between numerical magnitudes on the mental number line. We examined 4- to 5-year-old’s spatial language skills in tasks that allow responses in egocentric and allocentric frames of reference, as well as their relative understanding of numerical magnitude (assessed by a number word comparison task). In addition, we evaluated influences of children’s absolute understanding of numerical magnitude assessed by their number word comprehension (montring different numbers using their fingers) and of their knowledge on numerical sequences (determining predecessors and successors as well as identifying missing dice patterns of a series). Results indicated that when considering responses that corresponded to the egocentric perspective, children’s spatial language was associated significantly with their relative numerical magnitude understanding, even after controlling for covariates, such as children’s SES, mental rotation skills, and also absolute magnitude understanding or knowledge on numerical sequences. This suggests that the use of egocentric reference frames in spatial language may facilitate spatial representation of numbers along a mental number line and thus seem important for preschoolers’ relative understanding of numerical magnitude. KW - spatial language KW - frames of reference KW - numerical development KW - mental number line KW - preschool children Y1 - 2022 U6 - https://doi.org/10.3389/fpsyg.2022.943191 SN - 1664-1078 SP - 1 EP - 13 PB - Frontiers CY - Lausanne, Schweiz ER - TY - JOUR A1 - Lindner, Nadja A1 - Moeller, Korbinian A1 - Dresen, Verena A1 - Pixner, Silvia A1 - Lonnemann, Jan T1 - Children's spatial language skills predict their verbal number skills BT - A longitudinal study JF - PLOS ONE N2 - The process of number symbolization is assumed to be critically influenced by the acquisition of so-called verbal number skills (e.g., verbally reciting the number chain and naming Arabic numerals). For the acquisition of these verbal number skills, verbal and visuospatial skills are discussed as contributing factors. In this context, children’s verbal number skills have been found to be associated with their concurrent spatial language skills such as mastery of verbal descriptions of spatial position (e.g., in front of, behind). In a longitudinal study with three measurement times (T1, T2, T3) at an interval of about 6 months, we evaluated the predictive role of preschool children’s (mean age at T1: 3 years and 10 months) spatial language skills for the acquisition of verbal number skills. Children’s spatial language skills at T2 significantly predicted their verbal number skills at T3, when controlling for influences of important covariates such as vocabulary knowledge. In addition, further analyses replicated previous results indicating that children’s spatial language skills at T2 were associated with their verbal number skills at T2. Exploratory analyses further revealed that children’s verbal number skills at T1 predict their spatial language at T2. Results suggests that better spatial language skills at the age of 4 years facilitate the future acquisition of verbal number skills. Y1 - 2022 U6 - https://doi.org/10.1371/journal.pone.0277026 SN - 1932-6203 VL - 17 IS - 10 PB - PLOS CY - San Francisco ER - TY - JOUR A1 - Moradian, Hanieh A1 - Roch, Toralf A1 - Anthofer, Larissa A1 - Lendlein, Andreas A1 - Gossen, Manfred T1 - Chemical modification of uridine modulates mRNA-mediated proinflammatory and antiviral response in primary human macrophages JF - Molecular therapy N2 - In vitro transcribed (IVT)-mRNA has been accepted as a promising therapeutic modality. Advances in facile and rapid production technologies make IVT-mRNA an appealing alternative to protein- or virus-based medicines. Robust expression levels, lack of genotoxicity, and their manageable immunogenicity benefit its clinical applicability. We postulated that innate immune responses of therapeutically relevant human cells can be tailored or abrogated by combinations of 5'-end and internal IVT-mRNA modifications. Using primary human macrophages as targets, our data show the particular importance of uridine modifications for IVT-mRNA performance. Among five nucleotide modification schemes tested, 5-methoxy-uridine outperformed other modifications up to 4-fold increased transgene expression, triggering moderate proinflammatory and non-detectable antiviral responses. Macrophage responses against IVT-mRNAs exhibiting high immunogenicity (e.g., pseudouridine) could be minimized upon HPLC purification. Conversely, 5'-end modifications had only modest effects on mRNA expression and immune responses. Our results revealed how the uptake of chemically modified IVT-mRNA impacts human macrophages, responding with distinct patterns of innate immune responses concomitant with increased transient transgene expression. We anticipate our findings are instrumental to predictively address specific cell responses required for a wide range of therapeutic applications from eliciting controlled immunogenicity in mRNA vaccines to, e.g., completely abrogating cell activation in protein replacement therapies. Y1 - 2022 U6 - https://doi.org/10.1016/j.omtn.2022.01.004 SN - 2162-2531 VL - 27 SP - 854 EP - 869 PB - Cell Press CY - Cambridge ER - TY - JOUR A1 - Blanchard, Ingrid A1 - Petitgirard, Sylvain A1 - Laurenz, Vera A1 - Miyajima, Nobuyoshi A1 - Wilke, Max A1 - Rubie, David C. A1 - Lobanov, Sergey S. A1 - Hennet, Louis A1 - Morgenroth, Wolfgang A1 - Tucoulou, Rémi A1 - Bonino, Valentina A1 - Zhao, Xuchao A1 - Franchi, Ian T1 - Chemical analysis of trace elements at the nanoscale in samples recovered from laser-heated diamond anvil cell experiments JF - Physics and chemistry of minerals N2 - High pressure and high temperature experiments performed with laser-heated diamond anvil cells (LH-DAC) are being extensively used in geosciences to study matter at conditions prevailing in planetary interiors. Due to the size of the apparatus itself, the samples that are produced are extremely small, on the order of few tens of micrometers. There are several ways to analyze the samples and extract physical, chemical or structural information, using either in situ or ex situ methods. In this paper, we compare two nanoprobe techniques, namely nano-XRF and NanoSIMS, that can be used to analyze recovered samples synthetized in a LH-DAC. With these techniques, it is possible to extract the spatial distribution of chemical elements in the samples. We show the results for several standards and discuss the importance of proper calibration for the acquisition of quantifiable results. We used these two nanoprobe techniques to retrieve elemental ratios of dilute species (few tens of ppm) in quenched experimental molten samples relevant for the formation of the iron-rich core of the Earth. We finally discuss the applications of such probes to constrain the partitioning of trace elements between metal and silicate phases, with a focus on moderately siderophile elements, tungsten and molybdenum. KW - NanoSIMS KW - Nano-XRF KW - Diamond anvil cell KW - Focused ion beam Y1 - 2022 U6 - https://doi.org/10.1007/s00269-022-01193-7 SN - 0342-1791 SN - 1432-2021 VL - 49 IS - 6 PB - Springer CY - New York ER - TY - JOUR A1 - Sarrazin, Fanny J. A1 - Kumar, Rohini A1 - Basu, Nandita B. A1 - Musolff, Andreas A1 - Weber, Michael A1 - Van Meter, Kimberly J. A1 - Attinger, Sabine T1 - Characterizing catchment-scale nitrogen legacies and constraining their uncertainties JF - Water resources research N2 - Improving nitrogen (N) status in European water bodies is a pressing issue. N levels depend not only on current but also past N inputs to the landscape, that have accumulated through time in legacy stores (e.g., soil, groundwater). Catchment-scale N models, that are commonly used to investigate in-stream N levels, rarely examine the magnitude and dynamics of legacy components. This study aims to gain a better understanding of the long-term fate of the N inputs and its uncertainties, using a legacy-driven N model (ELEMeNT) in Germany's largest national river basin (Weser; 38,450 km(2)) over the period 1960-2015. We estimate the nine model parameters based on a progressive constraining strategy, to assess the value of different observational data sets. We demonstrate that beyond in-stream N loading, soil N content and in-stream N concentration allow to reduce the equifinality in model parameterizations. We find that more than 50% of the N surplus denitrifies (1480-2210 kg ha(-1)) and the stream export amounts to around 18% (410-640 kg ha(-1)), leaving behind as much as around 230-780 kg ha(-1) of N in the (soil) source zone and 10-105 kg ha(-1) in the subsurface. A sensitivity analysis reveals the importance of different factors affecting the residual uncertainties in simulated N legacies, namely hydrologic travel time, denitrification rates, a coefficient characterizing the protection of organic N in source zone and N surplus input. Our study calls for proper consideration of uncertainties in N legacy characterization, and discusses possible avenues to further reduce the equifinality in water quality modeling. KW - nitrogen legacies KW - water quality modeling KW - equifinality KW - parameter KW - estimation KW - sensitivity analysis Y1 - 2022 U6 - https://doi.org/10.1029/2021WR031587 SN - 0043-1397 SN - 1944-7973 VL - 58 IS - 4 PB - American Geophysical Union CY - Washington ER - TY - JOUR A1 - Welke, Robert-William A1 - Sperber, Hannah Sabeth A1 - Bergmann, Ronny A1 - Koikkarah, Amit A1 - Menke, Laura A1 - Sieben, Christian A1 - Krüger, Detlev H. A1 - Chiantia, Salvatore A1 - Herrmann, Andreas A1 - Schwarzer, Roland T1 - Characterization of hantavirus N protein intracellular dynamics and localization JF - Viruses N2 - Hantaviruses are enveloped viruses that possess a tri-segmented, negative-sense RNA genome. The viral S-segment encodes the multifunctional nucleocapsid protein (N), which is involved in genome packaging, intracellular protein transport, immunoregulation, and several other crucial processes during hantavirus infection. In this study, we generated fluorescently tagged N protein constructs derived from Puumalavirus (PUUV), the dominant hantavirus species in Central, Northern, and Eastern Europe. We comprehensively characterized this protein in the rodent cell line CHO-K1, monitoring the dynamics of N protein complex formation and investigating co-localization with host proteins as well as the viral glycoproteins Gc and Gn. We observed formation of large, fibrillar PUUV N protein aggregates, rapidly coalescing from early punctate and spike-like assemblies. Moreover, we found significant spatial correlation of N with vimentin, actin, and P-bodies but not with microtubules. N constructs also co-localized with Gn and Gc albeit not as strongly as the glycoproteins associated with each other. Finally, we assessed oligomerization of N constructs, observing efficient and concentration-dependent multimerization, with complexes comprising more than 10 individual proteins. KW - hantavirus KW - N protein KW - oligomerization KW - actin KW - P-bodies KW - vimentin KW - Number and Brightness KW - Puumalavirus KW - macromolecular assemblies Y1 - 2022 U6 - https://doi.org/10.3390/v14030457 SN - 1999-4915 VL - 14 IS - 3 PB - MDPI CY - Basel ER - TY - JOUR A1 - Dineva, Ekaterina Ivanova A1 - Pearson, Jeniveve A1 - Ilyin, Ilya A1 - Verma, Meetu A1 - Diercke, Andrea A1 - Strassmeier, Klaus A1 - Denker, Carsten T1 - Characterization of chromospheric activity based on Sun-as-a-star spectral and disk-resolved activity indices JF - Astronomische Nachrichten = Astronomical notes N2 - The strong chromospheric absorption lines Ca ii H & K are tightly connected to stellar surface magnetic fields. Only for the Sun, spectral activity indices can be related to evolving magnetic features on the solar disk. The Solar Disk-Integrated (SDI) telescope feeds the Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI) of the Large Binocular Telescope (LBT) at Mt. Graham International Observatory, Arizona, U.S.A. We present high-resolution, high-fidelity spectra that were recorded on 184 & 82 days in 2018 & 2019 and derive the Ca ii H & K emission ratio, that is, the S-index. In addition, we compile excess brightness and area indices based on full-disk Ca ii K-line-core filtergrams of the Chromospheric Telescope (ChroTel) at Observatorio del Teide, Tenerife, Spain and full-disk ultraviolet (UV) 1600 angstrom images of the Atmospheric Imaging Assembly (AIA) onboard the Solar Dynamics Observatory (SDO). Thus, Sun-as-a-star spectral indices are related to their counterparts derived from resolved images of the solar chromosphere. All indices display signatures of rotational modulation, even during the very low magnetic activity in the minimum of Solar Cycle 24. Bringing together different types of activity indices has the potential to join disparate chromospheric datasets yielding a comprehensive description of chromospheric activity across many solar cycles. KW - astronomical databases KW - miscellaneous KW - methods KW - data analysis KW - activity KW - Sun KW - atmosphere KW - chromosphere KW - techniques KW - spectroscopic Y1 - 2022 U6 - https://doi.org/10.1002/asna.20223996 SN - 0004-6337 SN - 1521-3994 VL - 343 IS - 5 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Kruse, Marlen A1 - Altattan, Basma A1 - Laux, Eva-Maria A1 - Grasse, Nico A1 - Heinig, Lars A1 - Möser, Christin A1 - Smith, David M. A1 - Hölzel, Ralph T1 - Characterization of binding interactions of SARS-CoV-2 spike protein and DNA-peptide nanostructures JF - Scientific reports N2 - Binding interactions of the spike proteins of the severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) to a peptide fragment derived from the human angiotensin converting enzyme 2 (hACE2) receptor are investigated. The peptide is employed as capture moiety in enzyme linked immunosorbent assays (ELISA) and quantitative binding interaction measurements that are based on fluorescence proximity sensing (switchSENSE). In both techniques, the peptide is presented on an oligovalent DNA nanostructure, in order to assess the impact of mono- versus trivalent binding modes. As the analyte, the spike protein and several of its subunits are tested as well as inactivated SARS-CoV-2 and pseudo viruses. While binding of the peptide to the full-length spike protein can be observed, the subunits RBD and S1 do not exhibit binding in the employed concentrations. Variations of the amino acid sequence of the recombinant full-length spike proteins furthermore influence binding behavior. The peptide was coupled to DNA nanostructures that form a geometric complement to the trimeric structure of the spike protein binding sites. An increase in binding strength for trimeric peptide presentation compared to single peptide presentation could be generally observed in ELISA and was quantified in switchSENSE measurements. Binding to inactivated wild type viruses could be shown as well as qualitatively different binding behavior of the Alpha and Beta variants compared to the wild type virus strain in pseudo virus models. Y1 - 2022 U6 - https://doi.org/10.1038/s41598-022-16914-9 SN - 2045-2322 VL - 12 IS - 1 PB - Macmillan Publishers Limited, part of Springer Nature CY - London ER - TY - JOUR A1 - Kojda, Danny A1 - Hofmann, Tommy A1 - Gostkowska-Lekner, Natalia Katarzyna A1 - Habicht, Klaus T1 - Characterization and modeling of the temperature-dependent thermal conductivity in sintered porous silicon-aluminum nanomaterials JF - Nano research N2 - Nanostructured silicon and silicon-aluminum compounds are synthesized by a novel synthesis strategy based on spark plasma sintering (SPS) of silicon nanopowder, mesoporous silicon (pSi), and aluminum nanopowder. The interplay of metal-assisted crystallization and inherent porosity is exploited to largely suppress thermal conductivity. Morphology and temperature-dependent thermal conductivity studies allow us to elucidate the impact of porosity and nanostructure on the macroscopic heat transport. Analytic electron microscopy along with quantitative image analysis is applied to characterize the sample morphology in terms of domain size and interpore distance distributions. We demonstrate that nanostructured domains and high porosity can be maintained in densified mesoporous silicon samples. In contrast, strong grain growth is observed for sintered nanopowders under similar sintering conditions. We observe that aluminum agglomerations induce local grain growth, while aluminum diffusion is observed in porous silicon and dispersed nanoparticles. A detailed analysis of the measured thermal conductivity between 300 and 773 K allows us to distinguish the effect of reduced thermal conductivity caused by porosity from the reduction induced by phonon scattering at nanosized domains. With a modified Landauer/Lundstrom approach the relative thermal conductivity and the scattering length are extracted. The relative thermal conductivity confirms the applicability of Kirkpatrick's effective medium theory. The extracted scattering lengths are in excellent agreement with the harmonic mean of log-normal distributed domain sizes and the interpore distances combined by Matthiessen's rule. KW - thermal conductivity KW - mesoporous silicon KW - porosity KW - spark plasma KW - sintering KW - nanoscale modeling Y1 - 2022 U6 - https://doi.org/10.1007/s12274-022-4123-y SN - 1998-0124 SN - 1998-0000 VL - 15 IS - 6 SP - 5663 EP - 5670 PB - Tsinghua Univ. Press CY - Beijing ER - TY - JOUR A1 - Ilic, Ivan A1 - Schutjajew, Konstantin A1 - Zhang, Wuyong A1 - Oschatz, Martin T1 - Changes of porosity of hard carbons during mechanical treatment and the relevance for sodium-ion anodes JF - Carbon : an international journal sponsored by the American Carbon Society N2 - Lithium-ion batteries have revolutionized battery technology. However, the scarcity of lithium in nature is driving the search for alternatives. For that reason, sodium-ion batteries have attracted increasing attention in recent years. The main obstacle to their development is the anode as, unlike for lithium-ion batteries, graphite cannot be used due to the inability to form stoichiometrically useful intercalation compounds with sodium. A promising candidate for sodium storage is hard carbon a form of nongraphitisable carbon, that can be synthesized from various precursor materials. Processing of hard carbons is often done by using mechanochemical treatments. Although it is generally accepted and often observed that they can influence the porosity of hard carbons, their effect on battery performance not well understood. Here, the changes in porosity occurring during ball milling are elucidated and related to the properties of hard carbons in sodium storage. Analysis by combined gas physisorption and small angle X-ray scattering shows that porosity changes during ball milling with a significant increase of the open porosity, unsuitable for reversible sodium storage, and decrease of the closed porosity, suitable for reversible sodium storage. While pristine hard carbon can store 58.5 mAh g(-1) in the closed pores, upon 5 h of mechanical treatment in a ball mill it can only store 35.5 mAh g(-1). The obtained results are furthermore pointing towards the disputed "intercalation-adsorption" mechanism. KW - Hard carbons KW - Sodium-ion batteries KW - Anodes KW - Microporosity KW - Ball milling Y1 - 2022 U6 - https://doi.org/10.1016/j.carbon.2021.09.063 SN - 0008-6223 SN - 1873-3891 VL - 186 SP - 55 EP - 63 PB - Elsevier Science CY - Amsterdam [u.a.] ER - TY - JOUR A1 - Botteri, Edoardo A1 - Peveri, Giulia A1 - Berstad, Paula A1 - Bagnardi, Vincenzo A1 - Chen, Sairah L. F. A1 - Sandanger, Torkjel M. A1 - Hoff, Geir A1 - Dahm, Christina C. A1 - Antoniussen, Christian S. A1 - Tjonneland, Anne A1 - Eriksen, Anne Kirstine A1 - Skeie, Guri A1 - Perez-Cornago, Aurora A1 - Huerta, Jose Maria A1 - Jakszyn, Paula A1 - Harlid, Sophia A1 - Sundstroem, Bjoern A1 - Barricarte, Aurelio A1 - Monninkhof, Evelyn M. A1 - Derksen, Jeroen W. G. A1 - Schulze, Matthias Bernd A1 - Bueno-de-Mesquita, Bas A1 - Sanchez, Maria-Jose A1 - Cross, Amanda J. A1 - Tsilidis, Konstantinos K. A1 - De Magistris, Maria Santucci A1 - Kaaks, Rudolf A1 - Katzke, Verena A1 - Rothwell, Joseph A. A1 - Laouali, Nasser A1 - Severi, Gianluca A1 - Amiano, Pilar A1 - Contiero, Paolo A1 - Sacerdote, Carlotta A1 - Goldberg, Marcel A1 - Touvier, Mathilde A1 - Freisling, Heinz A1 - Viallon, Vivian A1 - Weiderpass, Elisabete A1 - Riboli, Elio A1 - Gunter, Marc J. A1 - Jenab, Mazda A1 - Ferrari, Pietro T1 - Changes in lifestyle and risk of colorectal cancer in the European prospective investigation into cancer and nutrition JF - The American journal of gastroenterology : AJG N2 - INTRODUCTION: We investigated the impact of changes in lifestyle habits on colorectal cancer (CRC) risk in a multicountry European cohort. METHODS: We used baseline and follow-up questionnaire data from the European Prospective Investigation into Cancer cohort to assess changes in lifestyle habits and their associations with CRC development. We calculated a healthy lifestyle index (HLI) score based on smoking status, alcohol consumption, body mass index, and physical activity collected at the 2 time points. HLI ranged from 0 (most unfavorable) to 16 (most favorable). We estimated the association between HLI changes and CRC risk using Cox regression models and reported hazard ratios (HR) with 95% confidence intervals (CI). RESULTS: Among 295,865 participants, 2,799 CRC cases were observed over a median of 7.8 years. The median time between questionnaires was 5.7 years. Each unit increase in HLI from the baseline to the follow-up assessment was associated with a statistically significant 3% lower CRC risk. Among participants in the top tertile at baseline (HLI > 11), those in the bottom tertile at follow-up (HLI <= 9) had a higher CRC risk (HR 1.34; 95% CI 1.02-1.75) than those remaining in the top tertile. Among individuals in the bottom tertile at baseline, those in the top tertile at follow-up had a lower risk (HR 0.77; 95% CI 0.59-1.00) than those remaining in the bottom tertile. DISCUSSION: Improving adherence to a healthy lifestyle was inversely associated with CRC risk, while worsening adherence was positively associated with CRC risk. These results justify and support recommendations for healthy lifestyle changes and healthy lifestyle maintenance for CRC prevention. Y1 - 2022 U6 - https://doi.org/10.14309/ajg.0000000000002065 SN - 0002-9270 SN - 1572-0241 VL - 118 IS - 4 SP - 702 EP - 711 PB - Lippincott Williams & Wilkins CY - Philadelphia ER - TY - JOUR A1 - Kretzschmar, Mirjam E. A1 - Ashby, Ben A1 - Fearon, Elizabeth A1 - Overton, Christopher E. A1 - Panovska-Griffiths, Jasmina A1 - Pellis, Lorenzo A1 - Quaife, Matthew A1 - Rozhnova, Ganna A1 - Scarabel, Francesca A1 - Stage, Helena B. A1 - Swallow, Ben A1 - Thompson, Robin N. A1 - Tildesley, Michael J. A1 - Villela, Daniel Campos T1 - Challenges for modelling interventions for future pandemics JF - Epidemics N2 - Mathematical modelling and statistical inference provide a framework to evaluate different non-pharmaceutical and pharmaceutical interventions for the control of epidemics that has been widely used during the COVID-19 pandemic. In this paper, lessons learned from this and previous epidemics are used to highlight the challenges for future pandemic control. We consider the availability and use of data, as well as the need for correct parameterisation and calibration for different model frameworks. We discuss challenges that arise in describing and distinguishing between different interventions, within different modelling structures, and allowing both within and between host dynamics. We also highlight challenges in modelling the health economic and political aspects of interventions. Given the diversity of these challenges, a broad variety of interdisciplinary expertise is needed to address them, combining mathematical knowledge with biological and social insights, and including health economics and communication skills. Addressing these challenges for the future requires strong cross disciplinary collaboration together with close communication between scientists and policy makers. KW - Mathematical models KW - Pandemics KW - Pharmaceutical interventions KW - Non-pharmaceutical interventions KW - Policy support Y1 - 2022 U6 - https://doi.org/10.1016/j.epidem.2022.100546 SN - 1755-4365 SN - 1878-0067 VL - 38 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Mazarei, Elham A1 - Barker, John R. T1 - CH2 + O-2 BT - reaction mechanism, biradical and zwitterionic character, and formation of CH2OO, the simplest Criegee intermediate JF - Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies N2 - The singlet and triplet potential surfaces for the title reaction were investigated using the CBS-QB3 level of theory. The wave functions for some species exhibited multireference character and required the CASPT2/6-31+G(d,p) and CASPT2/aug-cc-pVTZ levels of theory to obtain accurate relative energies. A Natural Bond Orbital Analysis showed that triplet (CH2OO)-C-3 (the simplest Criegee intermediate) and (CH2O2)-C-3 (dioxirane) have mostly polar biradical character, while singlet (CH2OO)-C-1 has some zwitterionic character and a planar structure. Canonical variational transition state theory (CVTST) and master equation simulations were used to analyze the reaction system. CVTST predicts that the rate constant for reaction of (CH2)-C-1 + O-3(2) is more than ten times as fast as the reaction of (CH2)-C-3 ((XB1)-B-3) + O-3(2) and the ratio remains almost independent of temperature from 900 K to 3000 K. The master equation simulations predict that at low pressures the (CH2O)-C-1 + O-3 product set is dominant at all temperatures and the primary yield of OH radicals is negligible below 600 K, due to competition with other primary reactions in this complex system. Y1 - 2021 U6 - https://doi.org/10.1039/d1cp04372b SN - 1463-9076 SN - 1463-9084 VL - 24 IS - 2 SP - 914 EP - 927 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Ramm, Franziska A1 - Jack, Lena A1 - Kaser, Danny A1 - Schloßhauer, Jeffrey L. A1 - Zemella, Anne A1 - Kubick, Stefan T1 - Cell-Free Systems Enable the Production of AB(5) Toxins for Diagnostic Applications JF - Toxins N2 - Cell-free protein synthesis (CFPS) represents a versatile key technology for the production of toxic proteins. As a cell lysate, rather than viable cells, is used, the toxic effects on the host organism can be circumvented. The open nature of cell-free systems allows for the addition of supplements affecting protein concentration and folding. Here, we present the cell-free synthesis and functional characterization of two AB(5) toxins, namely the cholera toxin (Ctx) and the heat-labile enterotoxin (LT), using two eukaryotic cell-free systems based on Chinese hamster ovary (CHO) and Spodoptera frugiperda (Sf21) cells. Through an iterative optimization procedure, the synthesis of the individual AB(5) toxins was established, and the formation of multimeric structures could be shown by autoradiography. A functional analysis was performed using cell-based assays, thereby demonstrating that the LT complex induced the characteristic cell elongation of target cells after 24 h. The LT complex induced cell death at higher concentrations, starting at an initial concentration of 5 nM. The initial toxic effects of the Ctx multimer could already be detected at 4 nM. The detection and characterization of such AB(5) toxins is of utmost importance, and the monitoring of intracellular trafficking facilitates the further identification of the mechanism of action of these toxins. We showed that the B-subunit of LT (LTB) could be fluorescently labeled using an LTB-Strep fusion protein, which is a proof-of-concept for future Trojan horse applications. Further, we performed a mutational analysis of the CtxA subunit as its template was modified, and an amber stop codon was inserted into CtxA's active site. Subsequently, a non-canonical amino acid was site-specifically incorporated using bio-orthogonal systems. Finally, a fluorescently labeled CtxA protein was produced using copper-catalyzed click reactions as well as a Staudinger ligation. As expected, the modified Ctx multimer no longer induced toxic effects. In our study, we showed that CFPS could be used to study the active centers of toxins by inserting mutations. Additionally, this methodology can be applied for the design of Trojan horses and targeted toxins, as well as enabling the intracellular trafficking of toxins as a prerequisite for the analysis of the toxin's mechanism of action. KW - cholera toxin KW - heat-labile enterotoxin KW - AB(5) toxins KW - eukaryotic KW - cell-free systems KW - orthogonal systems Y1 - 2022 U6 - https://doi.org/10.3390/toxins14040233 SN - 2072-6651 VL - 14 IS - 4 PB - MDPI CY - Basel ER - TY - JOUR A1 - Schloßhauer, Jeffrey A1 - Cavak, Niño A1 - Zemella, Anne A1 - Thoring, Lena A1 - Kubick, Stefan T1 - Cell engineering and cultivation of chinese hamster ovary cells for the development of orthogonal eukaryotic cell-free translation systems JF - Frontiers in molecular biosciences N2 - The investigation of protein structures, functions and interactions often requires modifications to adapt protein properties to the specific application. Among many possible methods to equip proteins with new chemical groups, the utilization of orthogonal aminoacyl-tRNA synthetase/tRNA pairs enables the site-specific incorporation of non-canonical amino acids at defined positions in the protein. The open nature of cell-free protein synthesis reactions provides an optimal environment, as the orthogonal components do not need to be transported across the cell membrane and the impact on cell viability is negligible. In the present work, it was shown that the expression of orthogonal aminoacyl-tRNA synthetases in CHO cells prior to cell disruption enhanced the modification of the pharmaceutically relevant adenosine A2a receptor. For this purpose, in complement to transient transfection of CHO cells, an approach based on CRISPR/Cas9 technology was selected to generate a translationally active cell lysate harboring endogenous orthogonal aminoacyl-tRNA synthetase. KW - orthogonal translation KW - cell-free protein synthesis KW - CRISPR KW - amber suppression KW - E. coli tyrosyl-tRNA synthetase KW - M. mazei pyrrolysyl-tRNA synthetase KW - membrane protein KW - C12orf35 Y1 - 2022 U6 - https://doi.org/10.3389/fmolb.2022.832379 SN - 2296-889X VL - 9 PB - Frontiers Media CY - Lausanne ER - TY - JOUR A1 - Fischer, Eric W. A1 - Saalfrank, Peter T1 - Cavity-induced non-adiabatic dynamics and spectroscopy of molecular rovibrational polaritons studied by multi-mode quantum models JF - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr N2 - We study theoretically the quantum dynamics and spectroscopy of rovibrational polaritons formed in a model system composed of a single rovibrating diatomic molecule, which interacts with two degenerate, orthogonally polarized modes of an optical Fabry-Perot cavity. We employ an effective rovibrational Pauli-Fierz Hamiltonian in length gauge representation and identify three-state vibro-polaritonic conical intersections (VPCIs) between singly excited vibro-polaritonic states in a two-dimensional angular coordinate branching space. The lower and upper vibrational polaritons are of mixed light-matter hybrid character, whereas the intermediate state is purely photonic in nature. The VPCIs provide effective population transfer channels between singly excited vibrational polaritons, which manifest in rich interference patterns in rotational densities. Spectroscopically, three bright singly excited states are identified when an external infrared laser field couples to both a molecular and a cavity mode. The non-trivial VPCI topology manifests as pronounced multi-peak progression in the spectral region of the upper vibrational polariton, which is traced back to the emergence of rovibro-polaritonic light-matter hybrid states. Experimentally, ubiquitous spontaneous emission from cavity modes induces a dissipative reduction of intensity and peak broadening, which mainly influences the purely photonic intermediate state peak as well as the rovibro-polaritonic progression. Published under an exclusive license by AIP Publishing. Y1 - 2022 U6 - https://doi.org/10.1063/5.0098006 SN - 0021-9606 SN - 1089-7690 VL - 157 IS - 3 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Fischer, Eric Wolfgang A1 - Anders, Janet A1 - Saalfrank, Peter T1 - Cavity-altered thermal isomerization rates and dynamical resonant localization in vibro-polaritonic chemistry JF - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr N2 - It has been experimentally demonstrated that reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" reaction conditions. However, precise mechanisms of how strong coupling of an optical cavity mode to molecular vibrations affects the reactivity and how resonance behavior emerges are still under dispute. In the present work, we approach these mechanistic issues from the perspective of a thermal model reaction, the inversion of ammonia along the umbrella mode, in the presence of a single-cavity mode of varying frequency and coupling strength. A topological analysis of the related cavity Born-Oppenheimer potential energy surface in combination with quantum mechanical and transition state theory rate calculations reveals two quantum effects, leading to decelerated reaction rates in qualitative agreement with experiments: the stiffening of quantized modes perpendicular to the reaction path at the transition state, which reduces the number of thermally accessible reaction channels, and the broadening of the barrier region, which attenuates tunneling. We find these two effects to be very robust in a fluctuating environment, causing statistical variations of potential parameters, such as the barrier height. Furthermore, by solving the time-dependent Schrodinger equation in the vibrational strong coupling regime, we identify a resonance behavior, in qualitative agreement with experimental and earlier theoretical work. The latter manifests as reduced reaction probability when the cavity frequency omega(c) is tuned resonant to a molecular reactant frequency. We find this effect to be based on the dynamical localization of the vibro-polaritonic wavepacket in the reactant well. Y1 - 2022 U6 - https://doi.org/10.1063/5.0076434 SN - 0021-9606 SN - 1089-7690 VL - 156 IS - 15 PB - American Institute of Physics CY - Melville, NY ER - TY - JOUR A1 - Miklashevsky, Alex T1 - Catch the star! Spatial information activates the manual motor system JF - PLoS ONE N2 - Previous research demonstrated a close bidirectional relationship between spatial attention and the manual motor system. However, it is unclear whether an explicit hand movement is necessary for this relationship to appear. A novel method with high temporal resolution–bimanual grip force registration–sheds light on this issue. Participants held two grip force sensors while being presented with lateralized stimuli (exogenous attentional shifts, Experiment 1), left- or right-pointing central arrows (endogenous attentional shifts, Experiment 2), or the words "left" or "right" (endogenous attentional shifts, Experiment 3). There was an early interaction between the presentation side or arrow direction and grip force: lateralized objects and central arrows led to a larger increase of the ipsilateral force and a smaller increase of the contralateral force. Surprisingly, words led to the opposite pattern: larger force increase in the contralateral hand and smaller force increase in the ipsilateral hand. The effect was stronger and appeared earlier for lateralized objects (60 ms after stimulus presentation) than for arrows (100 ms) or words (250 ms). Thus, processing visuospatial information automatically activates the manual motor system, but the timing and direction of this effect vary depending on the type of stimulus. Y1 - 2022 U6 - https://doi.org/10.1371/journal.pone.0262510 SN - 1932-6203 SP - 1 EP - 30 PB - PLOS CY - San Francisco, California, US ER - TY - JOUR A1 - Schaefer, Laura A1 - Bittmann, Frank T1 - Case Study: Intra- and Interpersonal Coherence of Muscle and Brain Activity of Two Coupled Persons during Pushing and Holding Isometric Muscle Action JF - Brain Sciences N2 - Inter-brain synchronization is primarily investigated during social interactions but had not been examined during coupled muscle action between two persons until now. It was previously shown that mechanical muscle oscillations can develop coherent behavior between two isometrically interacting persons. This case study investigated if inter-brain synchronization appears thereby, and if differences of inter- and intrapersonal muscle and brain coherence exist regarding two different types of isometric muscle action. Electroencephalography (EEG) and mechanomyography/mechanotendography (MMG/MTG) of right elbow extensors were recorded during six fatiguing trials of two coupled isometrically interacting participants (70% MVIC). One partner performed holding and one pushing isometric muscle action (HIMA/PIMA; tasks changed). The wavelet coherence of all signals (EEG, MMG/MTG, force, ACC) were analyzed intra- and interpersonally. The five longest coherence patches in 8–15 Hz and their weighted frequency were compared between real vs. random pairs and between HIMA vs. PIMA. Real vs. random pairs showed significantly higher coherence for intra-muscle, intra-brain, and inter-muscle-brain activity (p < 0.001 to 0.019). Inter-brain coherence was significantly higher for real vs. random pairs for EEG of right and central areas and for sub-regions of EEG left (p = 0.002 to 0.025). Interpersonal muscle-brain synchronization was significantly higher than intrapersonal one, whereby it was significantly higher for HIMA vs. PIMA. These preliminary findings indicate that inter-brain synchronization can arise during muscular interaction. It is hypothesized both partners merge into one oscillating neuromuscular system. The results reinforce the hypothesis that HIMA is characterized by more complex control strategies than PIMA. The pilot study suggests investigating the topic further to verify these results on a larger sample size. Findings could contribute to the basic understanding of motor control and is relevant for functional diagnostics such as the manual muscle test which is applied in several disciplines, e.g., neurology, physiotherapy. KW - interpersonal muscle action KW - wavelet coherence KW - inter-brain synchronization KW - inter-muscle-brain synchronization KW - electroencephalography (EEG) KW - mechanomyography (MMG) KW - holding isometric muscle action (HIMA) KW - pushing isometric muscle action (PIMA) Y1 - 2022 U6 - https://doi.org/10.3390/brainsci12060703 SN - 2076-3425 VL - 12 PB - MDPI Open Access Publishing CY - Basel, Schweiz ET - 6 ER - TY - JOUR A1 - Barcena, Maria Luisa A1 - Aslam, Muhammad A1 - Pozdniakova, Sofya A1 - Norman, Kristina A1 - Ladilov, Yury T1 - Cardiovascular inflammaging: mechanisms and translational aspects JF - Cells N2 - Aging is one of the major non-reversible risk factors for several chronic diseases, including cancer, type 2 diabetes, dementia, and cardiovascular diseases (CVD), and it is a key cause of multimorbidity, disability, and frailty (decreased physical activity, fatigue, and weight loss). The underlying cellular mechanisms are complex and consist of multifactorial processes, such as telomere shortening, chronic low-grade inflammation, oxidative stress, mitochondrial dysfunction, accumulation of senescent cells, and reduced autophagy. In this review, we focused on the molecular mechanisms and translational aspects of cardiovascular aging-related inflammation, i.e., inflammaging. KW - cardiac inflammaging KW - vascular senescence KW - mitochondrial homeostasis KW - microbiome Y1 - 2022 U6 - https://doi.org/10.3390/cells11061010 SN - 2073-4409 VL - 11 IS - 6 PB - MDPI CY - Basel ER - TY - JOUR A1 - Muntaha, Sidratul Nur A1 - Li, Xiaoping A1 - Compart, Julia A1 - Apriyanto, Ardha A1 - Fettke, Jörg T1 - Carbon pathways during transitory starch degradation in Arabidopsis differentially affect the starch granule number and morphology in the dpe2/phs1 mutant background JF - Plant physiology and biochemistry : an official journal of the Federation of European Societies of Plant Physiology N2 - The Arabidopsis knockout mutant lacking both the cytosolic disproportionating enzyme 2 (DPE2) and the plastidial phosphorylase (PHS1) had a dwarf-growth phenotype, a reduced and uneven distribution of starch within the plant rosettes, and a lower starch granule number per chloroplast under standard growth conditions. In contrast, a triple mutant impaired in starch degradation by its additional lack of the glucan, water dikinase (GWD) showed improved plant growth, a starch-excess phenotype, and a homogeneous starch distribution. Furthermore, the number of starch granules per chloroplast was increased and was similar to the wild type. We concluded that ongoing starch degradation is mainly responsible for the observed phenotype of dpe2/phs1. Next, we generated two further triple mutants lacking either the phosphoglucan, water dikinase (PWD), or the disproportionating enzyme 1 (DPE1) in the background of the double mutant. Analysis of the starch metabolism revealed that even minor ongoing starch degradation observed in dpe2/phs1/pwd maintained the double mutant phenotype. In contrast, an additional blockage in the glucose pathway of starch breakdown, as in dpe2/phs1/ dpe1, resulted in a nearly starch-free phenotype and massive chloroplast degradation. The characterized mutants were discussed in the context of starch granule formation. KW - Starch granules KW - Starch metabolism KW - Starch granule number per KW - chloroplast KW - Starch morphology KW - LCSM KW - Arabidopsis thaliana Y1 - 2022 U6 - https://doi.org/10.1016/j.plaphy.2022.03.033 SN - 0981-9428 SN - 1873-2690 VL - 180 SP - 35 EP - 41 PB - Elsevier CY - Paris ER -