@article{TeichFuehnerBaehretal.2023, author = {Teich, Paula and F{\"u}hner, Thea Heidi and Baehr, Florian and Puta, Christian and Granacher, Urs and Kliegl, Reinhold}, title = {Covid pandemic effects on the physical fitness of primary school children}, series = {Sports Medicine - Open}, volume = {9}, journal = {Sports Medicine - Open}, number = {1}, publisher = {Springer}, address = {New York}, issn = {2198-9761}, doi = {10.1186/s40798-023-00624-1}, pages = {19}, year = {2023}, abstract = {BackgroundIn spring of 2020, the Sars-CoV-2 incidence rate increased rapidly in Germany and around the world. Throughout the next 2 years, schools were temporarily closed and social distancing measures were put in place to slow the spread of the Covid-19 virus. Did these social restrictions and temporary school lockdowns affect children's physical fitness? The EMOTIKON project annually tests the physical fitness of all third-graders in the Federal State of Brandenburg, Germany. The tests assess cardiorespiratory endurance (6-min-run test), coordination (star-run test), speed (20-m sprint test), lower (powerLOW, standing long jump test), and upper (powerUP, ball-push test) limbs muscle power, and static balance (one-legged stance test with eyes closed). A total of 125,893 children were tested in the falls from 2016 to 2022. Primary analyses focused on 98,510 keyage third-graders (i.e., school enrollment according to the legal key date, aged 8 to 9 years) from 515 schools. Secondary analyses included 27,383 older-than-keyage third-graders (i.e., OTK, delayed school enrollment or repetition of a grade, aged 9 to 10 years), who have been shown to exhibit lower physical fitness than expected for their age. Linear mixed models fitted pre-pandemic quadratic secular trends, and took into account differences between children and schools.ResultsThird-graders exhibited lower cardiorespiratory endurance, coordination, speed and powerUP in the Covid pandemic cohorts (2020-2022) compared to the pre-pandemic cohorts (2016-2019). Children's powerLOW and static balance were higher in the pandemic cohorts compared to the pre-pandemic cohorts. From 2020 to 2021, coordination, powerLOW and powerUP further declined. Evidence for some post-pandemic physical fitness catch-up was restricted to powerUP. Cohen's |ds| for comparisons of the pandemic cohorts 2020-2022 with pre-pandemic cohorts 2016-2019 ranged from 0.02 for powerLOW to 0.15 for coordination. Within the pandemic cohorts, keyage children exhibited developmental losses ranging from approximately 1 month for speed to 5 months for cardiorespiratory endurance. For powerLOW and static balance, the positive pandemic effects translate to developmental gains of 1 and 7 months, respectively. Pre-pandemic secular trends may account for some of the observed differences between pandemic and pre-pandemic cohorts, especially in powerLOW, powerUP and static balance. The pandemic further increased developmental delays of OTK children in cardiorespiratory endurance, powerUP and balance.ConclusionsThe Covid-19 pandemic was associated with declines in several physical fitness components in German third-graders. Pandemic effects are still visible in 2022. Health-related interventions should specifically target those physical fitness components that were negatively affected by the pandemic (cardiorespiratory endurance, coordination, speed).}, language = {en} } @article{ArendZimmerXuetal.2023, author = {Arend, Marius and Zimmer, David and Xu, Rudan and Sommer, Frederik and M{\"u}hlhaus, Timo and Nikoloski, Zoran}, title = {Proteomics and constraint-based modelling reveal enzyme kinetic properties of Chlamydomonas reinhardtii on a genome scale}, series = {Nature Communications}, volume = {14}, journal = {Nature Communications}, number = {1}, publisher = {Springer Nature}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-023-40498-1}, pages = {9}, year = {2023}, abstract = {Metabolic engineering of microalgae offers a promising solution for sustainable biofuel production, and rational design of engineering strategies can be improved by employing metabolic models that integrate enzyme turnover numbers. However, the coverage of turnover numbers for Chlamydomonas reinhardtii, a model eukaryotic microalga accessible to metabolic engineering, is 17-fold smaller compared to the heterotrophic cell factory Saccharomyces cerevisiae. Here we generate quantitative protein abundance data of Chlamydomonas covering 2337 to 3708 proteins in various growth conditions to estimate in vivo maximum apparent turnover numbers. Using constrained-based modeling we provide proxies for in vivo turnover numbers of 568 reactions, representing a 10-fold increase over the in vitro data for Chlamydomonas. Integration of the in vivo estimates instead of in vitro values in a metabolic model of Chlamydomonas improved the accuracy of enzyme usage predictions. Our results help in extending the knowledge on uncharacterized enzymes and improve biotechnological applications of Chlamydomonas.}, language = {en} } @article{FerreiraDammhahnEccard2023, author = {Ferreira, Clara Mendes and Dammhahn, Melanie and Eccard, Jana}, title = {So many choices, so little time}, series = {Ecology and evolution}, volume = {13}, journal = {Ecology and evolution}, number = {7}, publisher = {Wiley}, address = {Hoboken}, issn = {2045-7758}, doi = {10.1002/ece3.10330}, pages = {15}, year = {2023}, abstract = {Spatial and temporal variation in perceived predation risk is an important determinant of movement and foraging activity of animals. Foraging in this landscape of fear, individuals need to decide where and when to move, and what resources to choose. Foraging theory predicts the outcome of these decisions based on energetic trade-offs, but complex interactions between perceived predation risk and preferences of foragers for certain functional traits of their resources are rarely considered. Here, we studied the interactive effects of perceived predation risk on food trait preferences and foraging behavior in bank voles (Myodes glareolus) in experimental landscapes. Individuals (n = 19) were subjected for periods of 24 h to two extreme, risk-uniform landscapes (either risky or safe), containing 25 discrete food patches, filled with seeds of four plant species in even amounts. Seeds varied in functional traits: size, nutrients, and shape. We evaluated whether and how risk modifies forager preference for functional traits. We also investigated whether perceived risk and distance from shelter affected giving-up density (GUD), time in patches, and number of patch visits. In safe landscapes, individuals increased time spent in patches, lowered GUD and visited distant patches more often compared to risky landscapes. Individuals preferred bigger seeds independent of risk, but in the safe treatment they preferred fat-rich over carb-rich seeds. Thus, higher densities of resource levels remained in risky landscapes, while in safe landscapes resource density was lower and less diverse due to selective foraging. Our results suggest that the interaction of perceived risk and dietary preference adds an additional layer to the cascading effects of a landscape of fear which affects biodiversity at resource level.}, language = {en} } @article{GarrelsKhodabakhshRenardetal.2023, author = {Garrels, Tim and Khodabakhsh, Athar and Renard, Bernhard Y. and Baum, Katharina}, title = {LazyFox: fast and parallelized overlapping community detection in large graphs}, series = {PEERJ Computer Science}, volume = {9}, journal = {PEERJ Computer Science}, publisher = {PeerJ Inc.}, address = {London}, issn = {2376-5992}, doi = {10.7717/peerj-cs.1291}, pages = {30}, year = {2023}, abstract = {The detection of communities in graph datasets provides insight about a graph's underlying structure and is an important tool for various domains such as social sciences, marketing, traffic forecast, and drug discovery. While most existing algorithms provide fast approaches for community detection, their results usually contain strictly separated communities. However, most datasets would semantically allow for or even require overlapping communities that can only be determined at much higher computational cost. We build on an efficient algorithm, FOX, that detects such overlapping communities. FOX measures the closeness of a node to a community by approximating the count of triangles which that node forms with that community. We propose LAZYFOX, a multi-threaded adaptation of the FOX algorithm, which provides even faster detection without an impact on community quality. This allows for the analyses of significantly larger and more complex datasets. LAZYFOX enables overlapping community detection on complex graph datasets with millions of nodes and billions of edges in days instead of weeks. As part of this work, LAZYFOX's implementation was published and is available as a tool under an MIT licence at https://github.com/TimGarrels/LazyFox.}, language = {en} } @article{PetrichAjiDunsingetal.2023, author = {Petrich, Annett and Aji, Amit Koikkarah and Dunsing, Valentin and Chiantia, Salvatore}, title = {Benchmarking of novel green fluorescent proteins for the quantification of protein oligomerization in living cells}, series = {PLoS one}, volume = {18}, journal = {PLoS one}, number = {8}, publisher = {PLoS}, address = {San Fransisco}, issn = {1932-6203}, doi = {10.1371/journal.pone.0285486}, pages = {13}, year = {2023}, abstract = {Protein-protein-interactions play an important role in many cellular functions. Quantitative non-invasive techniques are applied in living cells to evaluate such interactions, thereby providing a broader understanding of complex biological processes. Fluorescence fluctuation spectroscopy describes a group of quantitative microscopy approaches for the characterization of molecular interactions at single cell resolution. Through the obtained molecular brightness, it is possible to determine the oligomeric state of proteins. This is usually achieved by fusing fluorescent proteins (FPs) to the protein of interest. Recently, the number of novel green FPs has increased, with consequent improvements to the quality of fluctuation-based measurements. The photophysical behavior of FPs is influenced by multiple factors (including photobleaching, protonation-induced "blinking" and long-lived dark states). Assessing these factors is critical for selecting the appropriate fluorescent tag for live cell imaging applications. In this work, we focus on novel green FPs that are extensively used in live cell imaging. A systematic performance comparison of several green FPs in living cells under different pH conditions using Number \& Brightness (N \& B) analysis and scanning fluorescence correlation spectroscopy was performed. Our results show that the new FP Gamillus exhibits higher brightness at the cost of lower photostability and fluorescence probability (pf), especially at lower pH. mGreenLantern, on the other hand, thanks to a very high pf, is best suited for multimerization quantification at neutral pH. At lower pH, mEGFP remains apparently the best choice for multimerization investigation. These guidelines provide the information needed to plan quantitative fluorescence microscopy involving these FPs, both for general imaging or for protein-protein-interactions quantification via fluorescence fluctuation-based methods.}, language = {en} } @article{HovhannisyanNematiHenkeletal.2023, author = {Hovhannisyan, Karen V. and Nemati, Somayyeh and Henkel, Carsten and Anders, Janet}, title = {Long-time equilibration can determine transient thermality}, series = {PRX Quantum}, volume = {4}, journal = {PRX Quantum}, number = {3}, publisher = {American Physical Society}, address = {College Park}, issn = {2691-3399}, doi = {10.1103/PRXQuantum.4.030321}, pages = {23}, year = {2023}, abstract = {When two initially thermal many-body systems start to interact strongly, their transient states quickly become non-Gibbsian, even if the systems eventually equilibrate. To see beyond this apparent lack of structure during the transient regime, we use a refined notion of thermality, which we call g-local. A system is g-locally thermal if the states of all its small subsystems are marginals of global thermal states. We numerically demonstrate for two harmonic lattices that whenever the total system equilibrates in the long run, each lattice remains g-locally thermal at all times, including the transient regime. This is true even when the lattices have long-range interactions within them. In all cases, we find that the equilibrium is described by the generalized Gibbs ensemble, with three-dimensional lattices requiring special treatment due to their extended set of conserved charges. We compare our findings with the well-known two-temperature model. While its standard form is not valid beyond weak coupling, we show that at strong coupling it can be partially salvaged by adopting the concept of a g-local temperature.}, language = {en} } @article{KappattanavarHeckerMoontahaetal.2023, author = {Kappattanavar, Arpita Mallikarjuna and Hecker, Pascal and Moontaha, Sidratul and Steckhan, Nico and Arnrich, Bert}, title = {Food choices after cognitive load}, series = {Sensors}, volume = {23}, journal = {Sensors}, number = {14}, publisher = {MDPI}, address = {Basel}, issn = {1424-8220}, doi = {10.3390/s23146597}, pages = {22}, year = {2023}, abstract = {Psychology and nutritional science research has highlighted the impact of negative emotions and cognitive load on calorie consumption behaviour using subjective questionnaires. Isolated studies in other domains objectively assess cognitive load without considering its effects on eating behaviour. This study aims to explore the potential for developing an integrated eating behaviour assistant system that incorporates cognitive load factors. Two experimental sessions were conducted using custom-developed experimentation software to induce different stimuli. During these sessions, we collected 30 h of physiological, food consumption, and affective states questionnaires data to automatically detect cognitive load and analyse its effect on food choice. Utilising grid search optimisation and leave-one-subject-out cross-validation, a support vector machine model achieved a mean classification accuracy of 85.12\% for the two cognitive load tasks using eight relevant features. Statistical analysis was performed on calorie consumption and questionnaire data. Furthermore, 75\% of the subjects with higher negative affect significantly increased consumption of specific foods after high-cognitive-load tasks. These findings offer insights into the intricate relationship between cognitive load, affective states, and food choice, paving the way for an eating behaviour assistant system to manage food choices during cognitive load. Future research should enhance system capabilities and explore real-world applications.}, language = {en} } @article{MeyerPohlPetrovetal.2023, author = {Meyer, Dominique M.-A. and Pohl, Martin and Petrov, M. and Egberts, Kathrin}, title = {Mixing of materials in magnetized core-collapse supernova remnants}, series = {Monthly notices of the Royal Astronomical Society}, volume = {521}, journal = {Monthly notices of the Royal Astronomical Society}, number = {4}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stad906}, pages = {5354 -- 5371}, year = {2023}, abstract = {Core-collapse supernova remnants are structures of the interstellar medium (ISM) left behind the explosive death of most massive stars ( ?40 M-?). Since they result in the expansion of the supernova shock wave into the gaseous environment shaped by the star's wind history, their morphology constitutes an insight into the past evolution of their progenitor star. Particularly, fast-mo ving massiv e stars can produce asymmetric core-collapse superno va remnants. We inv estigate the mixing of materials in core-collapse supernova remnants generated by a moving massive 35 M-? star, in a magnetized ISM. Stellar rotation and the wind magnetic field are time-dependently included into the models which follow the entire evolution of the stellar surroundings from the zero-age main-sequence to 80 kyr after the supernova explosion. It is found that very little main-sequence material is present in remnants from moving stars, that the Wolf-Rayet wind mixes very efficiently within the 10 kyr after the explosion, while the red supergiant material is still unmixed by 30 per cent within 50 kyr after the supernova. Our results indicate that the faster the stellar motion, the more complex the internal organization of the supernova remnant and the more ef fecti ve the mixing of ejecta therein. In contrast, the mixing of stellar wind material is only weakly affected by progenitor motion, if at all.}, language = {en} } @article{ErlerRiebeBeitzetal.2023, author = {Erler, Alexander and Riebe, Daniel and Beitz, Toralf and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Leenen, Mathias and P{\"a}tzold, Stefan and Ostermann, Markus and W{\´o}jcik, Michał}, title = {Mobile laser-induced breakdown spectroscopy for future application in precision agriculture}, series = {Sensors}, volume = {23}, journal = {Sensors}, number = {16}, publisher = {MDPI}, address = {Basel}, issn = {1424-8220}, doi = {10.3390/s23167178}, pages = {17}, year = {2023}, abstract = {In precision agriculture, the estimation of soil parameters via sensors and the creation of nutrient maps are a prerequisite for farmers to take targeted measures such as spatially resolved fertilization. In this work, 68 soil samples uniformly distributed over a field near Bonn are investigated using laser-induced breakdown spectroscopy (LIBS). These investigations include the determination of the total contents of macro- and micronutrients as well as further soil parameters such as soil pH, soil organic matter (SOM) content, and soil texture. The applied LIBS instruments are a handheld and a platform spectrometer, which potentially allows for the single-point measurement and scanning of whole fields, respectively. Their results are compared with a high-resolution lab spectrometer. The prediction of soil parameters was based on multivariate methods. Different feature selection methods and regression methods like PLS, PCR, SVM, Lasso, and Gaussian processes were tested and compared. While good predictions were obtained for Ca, Mg, P, Mn, Cu, and silt content, excellent predictions were obtained for K, Fe, and clay content. The comparison of the three different spectrometers showed that although the lab spectrometer gives the best results, measurements with both field spectrometers also yield good results. This allows for a method transfer to the in-field measurements.}, language = {en} } @article{MatternvonReppertZeuschneretal.2023, author = {Mattern, Maximilian and von Reppert, Alexander and Zeuschner, Steffen Peer and Herzog, Marc and Pudell, Jan-Etienne and Bargheer, Matias}, title = {Concepts and use cases for picosecond ultrasonics with x-rays}, series = {Photoacoustics}, volume = {31}, journal = {Photoacoustics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2213-5979}, doi = {10.1016/j.pacs.2023.100503}, pages = {22}, year = {2023}, abstract = {This review discusses picosecond ultrasonics experiments using ultrashort hard x-ray probe pulses to extract the transient strain response of laser-excited nanoscopic structures from Bragg-peak shifts. This method provides direct, layer-specific, and quantitative information on the picosecond strain response for structures down to few-nm thickness. We model the transient strain using the elastic wave equation and express the driving stress using Gruneisen parameters stating that the laser-induced stress is proportional to energy density changes in the microscopic subsystems of the solid, i.e., electrons, phonons and spins. The laser-driven strain response can thus serve as an ultrafast proxy for local energy-density and temperature changes, but we emphasize the importance of the nanoscale morphology for an accurate interpretation due to the Poisson effect. The presented experimental use cases encompass ultrathin and opaque metal-heterostructures, continuous and granular nanolayers as well as negative thermal expansion materials, that each pose a challenge to established all-optical techniques.}, language = {en} } @article{SharmaHainzlZoeller2023, author = {Sharma, Shubham and Hainzl, Sebastian and Z{\"o}ller, Gert}, title = {Seismicity parameters dependence on main shock-induced co-seismic stress}, series = {Geophysical journal international}, volume = {235}, journal = {Geophysical journal international}, number = {1}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0956-540X}, doi = {10.1093/gji/ggad201}, pages = {509 -- 517}, year = {2023}, abstract = {The Gutenberg-Richter (GR) and the Omori-Utsu (OU) law describe the earthquakes' energy release and temporal clustering and are thus of great importance for seismic hazard assessment. Motivated by experimental results, which indicate stress-dependent parameters, we consider a combined global data set of 127 main shock-aftershock sequences and perform a systematic study of the relationship between main shock-induced stress changes and associated seismicity patterns. For this purpose, we calculate space-dependent Coulomb Stress (\& UDelta;CFS) and alternative receiver-independent stress metrics in the surrounding of the main shocks. Our results indicate a clear positive correlation between the GR b-value and the induced stress, contrasting expectations from laboratory experiments and suggesting a crucial role of structural heterogeneity and strength variations. Furthermore, we demonstrate that the aftershock productivity increases nonlinearly with stress, while the OU parameters c and p systematically decrease for increasing stress changes. Our partly unexpected findings can have an important impact on future estimations of the aftershock hazard.}, language = {en} } @article{TeichFuehnerGranacheretal.2023, author = {Teich, Paula and F{\"u}hner, Thea Heidi and Granacher, Urs and Kliegl, Reinhold}, title = {Physical fitness of primary school children differs depending on their timing of school enrollment}, series = {Scientific reports}, volume = {13}, journal = {Scientific reports}, number = {1}, publisher = {Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-023-35727-y}, pages = {16}, year = {2023}, abstract = {Previous research has shown that children who were enrolled to school according to the legal key date (i.e., keyage children, between eight and nine years in third grade) exhibited a linear physical fitness development in the ninth year of life. In contrast, children who were enrolled with a delay (i.e., older-than-keyage children [OTK], between nine and ten years in third grade) exhibited a lower physical fitness compared to what would be expected for their age. In these studies, cross-sectional age differences within third grade and timing of school enrollment were confounded. The present study investigated the longitudinal development of keyage and OTK children from third to fifth grade. This design also afforded a comparison of the two groups at the same average chronological age, that is a dissociation of the effects of timing of school enrollment and age. We tested six physical fitness components: cardiorespiratory endurance, coordination, speed, power of lower and upper limbs, and static balance. 1502 children (i.e., 1206 keyage and 296 OTK children) from 35 schools were tested in third, fourth, and fifth grade. Except for cardiorespiratory endurance, both groups developed from third to fourth and from fourth to fifth grade and keyage children outperformed OTK children at the average ages of 9.5 or 10.5 years. For cardiorespiratory endurance, there was no significant gain from fourth to fifth grade and keyage and OTK children did not differ significantly at 10.5 years of age. One reason for a delayed school enrollment could be that a child is (or is perceived as) biologically younger than their chronological age at the school entry examination, implying a negative correlation between chronological and biological age for OTK children. Indeed, a simple reflection of chronological age brought the developmental rate of the chronologically youngest OTK children in line with the developmental rate observed for keyage children, but did not eliminate all differences. The mapping of chronological and biological age of OTK children and other possible reasons for lower physical fitness of OTK children remain a task for future research.}, language = {en} } @article{GeistGallagherKotullaetal.2022, author = {Geist, Emily and Gallagher, John S. and Kotulla, Ralf and Oskinova, Lida and Hamann, Wolf-Rainer and Ramachandran, Varsha and Sabbi, Elena and Smith, Linda J. and Kniazev, Alexey and Nota, Antonella and Rickard, Matthew J.}, title = {Ionization and star formation in the giant H ii region SMC-N66}, series = {Publications of the Astronomical Society of the Pacific}, volume = {134}, journal = {Publications of the Astronomical Society of the Pacific}, number = {1036}, publisher = {IOP Publishing}, address = {Bristol}, issn = {0004-6280}, doi = {10.1088/1538-3873/ac697b}, pages = {11}, year = {2022}, abstract = {The NGC 346 young stellar system and associated N66 giant H ii region in the Small Magellanic Cloud are the nearest example of a massive star-forming event in a low metallicity (Z approximate to 0.2Z (circle dot)) galaxy. With an age of less than or similar to 3 Myr this system provides a unique opportunity to study relationships between massive stars and their associated H ii region. Using archival data, we derive a total H alpha luminosity of L(H alpha) = 4.1 x 10(38) erg s(-1) corresponding to an H-photoionization rate of 3 x 10(50) s(-1). A comparison with a predicted stellar ionization rate derived from the more than 50 known O-stars in NGC 346, including massive stars recently classified from Hubble Space Telescope far-ultraviolet (FUV) spectra, indicates an approximate ionization balance. Spectra obtained with SALT suggest the ionization structure of N66 could be consistent with some leakage of ionizing photons. Due to the low metallicity, the FUV luminosity from NGC 346 is not confined to the interstellar cloud associated with N66. Ionization extends through much of the spatial extent of the N66 cloud complex, and most of the cloud mass is not ionized. The stellar mass estimated from nebular L(H alpha) appears to be lower than masses derived from the census of resolved stars which may indicate a disconnect between the formation of high and low mass stars in this region. We briefly discuss implications of the properties of N66 for studies of star formation and stellar feedback in low metallicity environments.}, language = {en} } @article{PerottoniLimbergAmaranteetal.2022, author = {Perottoni, H{\´e}lio D. and Limberg, Guilherme and Amarante, Jo{\~a}o A. S. and Rossi, Silvia and Queiroz, Anna B. A. and Santucci, Rafael M. and P{\´e}rez-Villegas, Angeles and Chiappini, Cristina}, title = {The unmixed debris of Gaia-Sausage/Enceladus in the form of a pair of halo stellar overdensities}, series = {Astrophysical journal letters}, volume = {936}, journal = {Astrophysical journal letters}, number = {1}, publisher = {IOP Publishing}, address = {Bristol}, issn = {2041-8205}, doi = {10.3847/2041-8213/ac88d6}, pages = {7}, year = {2022}, abstract = {In the first billion years after its formation, the galaxy underwent several mergers with dwarf satellites of various masses. The debris of Gaia-Sausage/Enceladus (GSE), the galaxy responsible for the last significant merger of the Milky Way, dominates the inner halo and has been suggested to be the progenitor of both the Hercules-Aquila Cloud (HAC) and Virgo Overdensity (VOD). We combine SEGUE, APOGEE, Gaia, and StarHorse distances to characterize the chemodynamical properties and verify the link between HAC, VOD, and GSE. We find that the orbital eccentricity distributions of the stellar overdensities and GSE are comparable. We also find that they have similar, strongly peaked, metallicity distribution functions, reinforcing the hypothesis of common origin. Furthermore, we show that HAC and VOD are indistinguishable from the prototypical GSE population within all chemical-abundance spaces analyzed. All these evidences combined provide a clear demonstration that the GSE merger is the main progenitor of the stellar populations found within these halo overdensities.}, language = {en} } @article{XuGiannettiSugiyamaetal.2022, author = {Xu, Huizhen and Giannetti, Alessandro and Sugiyama, Yuki and Zheng, Wenna and Schneider, Ren{\´e} and Watanabe, Yoichiro and Oda, Yoshihisa and Persson, Staffan}, title = {Secondary cell wall patterning-connecting the dots, pits and helices}, series = {Open biology}, volume = {12}, journal = {Open biology}, number = {5}, publisher = {Royal Society}, address = {London}, issn = {2046-2441}, doi = {10.1098/rsob.210208}, pages = {18}, year = {2022}, abstract = {All plant cells are encased in primary cell walls that determine plant morphology, but also protect the cells against the environment. Certain cells also produce a secondary wall that supports mechanically demanding processes, such as maintaining plant body stature and water transport inside plants. Both these walls are primarily composed of polysaccharides that are arranged in certain patterns to support cell functions. A key requisite for patterned cell walls is the arrangement of cortical microtubules that may direct the delivery of wall polymers and/or cell wall producing enzymes to certain plasma membrane locations. Microtubules also steer the synthesis of cellulose-the load-bearing structure in cell walls-at the plasma membrane. The organization and behaviour of the microtubule array are thus of fundamental importance to cell wall patterns. These aspects are controlled by the coordinated effort of small GTPases that probably coordinate a Turing's reaction-diffusion mechanism to drive microtubule patterns. Here, we give an overview on how wall patterns form in the water-transporting xylem vessels of plants. We discuss systems that have been used to dissect mechanisms that underpin the xylem wall patterns, emphasizing the VND6 and VND7 inducible systems, and outline challenges that lay ahead in this field.}, language = {en} } @article{HagoortVuillermeHortobagyietal.2022, author = {Hagoort, Iris and Vuillerme, Nicolas and Hortob{\´a}gyi, Tibor and Lamoth, Claudine J. C.}, title = {Outcome-dependent effects of walking speed and age on quantitative and qualitative gait measures}, series = {Gait \& posture}, volume = {93}, journal = {Gait \& posture}, publisher = {Elsevier}, address = {Clare}, issn = {0966-6362}, doi = {10.1016/j.gaitpost.2022.01.001}, pages = {39 -- 46}, year = {2022}, abstract = {Background: Walking speed predicts many clinical outcomes in old age. However, a comprehensive assessment of how walking speed affects accelerometer based quantitative and qualitative gait measures in younger and older adults is lacking. Research question: What is the relationship between walking speed and quantitative and qualitative gait outcomes in younger and older adults? Methods: Younger (n = 27, age: 21.6) and older participants (n = 27, age: 69.5) completed 340 steps on a treadmill at speeds of 0.70 to a maximum of 1.75 m.s(-1). We used generalized additive mixed models to determine the relationship between walking speed and quantitative (stride length, stride time, stride frequency and their variability) and qualitative (stride regularity, stability, smoothness, symmetry, synchronization, predictability) gait measures extracted from trunk accelerations. Results: The type of relationship between walking speed and the majority of gait measures (quantitative and qualitative) was characterized as logarithmic, with more prominent speed-effects at speeds below 1.20 m.s(-1). Changes in quantitative measures included shorter strides, longer stride times, and a lower stride frequency, with more variability at lower speeds independent of age. For qualitative measures, we found a decrease in gait symmetry, stability and regularity in all directions with decreasing speeds, a decrease in gait predictability (Vertical, V, anterior-posterior, AP) and stronger gait synchronization (AP-mediolateral, ML, AP-V), and direction dependent effects of gait smoothness, which decreased in V direction, but increased in AP and ML directions with decreasing speeds. We found outcome-dependent effects of age on the quantitative and qualitative gait measures, with either no differences between age-groups, age-related differences that existed regardless of speed, and age-related differences in the type of relationship with walking speed. Significance: The relationship between walking speed and quantitative and qualitative gait measures, and the effects of age on this relationship, depends on the type of gait measure studied.}, language = {en} } @article{AdesinaBlockGuenteretal.2023, author = {Adesina, Morenike O. and Block, Inga and G{\"u}nter, Christina and Unuabonah, Emmanuel Iyayi and Taubert, Andreas}, title = {Efficient Removal of Tetracycline and Bisphenol A from Water with a New Hybrid Clay/TiO2 Composite}, series = {ACS Omega}, volume = {8}, journal = {ACS Omega}, number = {24}, publisher = {American Chemical Society}, address = {Washington}, issn = {2470-1343}, doi = {10.1021/acsomega.3c00184}, pages = {21594 -- 21604}, year = {2023}, abstract = {New TiO2 hybrid composites were prepared fromkaolinclay, predried and carbonized biomass, and titanium tetraisopropoxideand explored for tetracycline (TET) and bisphenol A (BPA) removalfrom water. Overall, the removal rate is 84\% for TET and 51\% for BPA.The maximum adsorption capacities (q (m))are 30 and 23 mg/g for TET and BPA, respectively. These capacitiesare far greater than those obtained for unmodified TiO2. Increasing the ionic strength of the solution does not change theadsorption capacity of the adsorbent. pH changes only slightly changeBPA adsorption, while a pH > 7 significantly reduces the adsorptionof TET on the material. The Brouers-Sotolongo fractal modelbest describes the kinetic data for both TET and BPA adsorption, predictingthat the adsorption process occurs via a complex mechanism involvingvarious forces of attraction. Temkin and Freundlich isotherms, whichbest fit the equilibrium adsorption data for TET and BPA, respectively,suggest that adsorption sites are heterogeneous in nature. Overall,the composite materials are much more effective for TET removal fromaqueous solution than for BPA. This phenomenon is assigned to a differencein the TET/adsorbent interactions vs the BPA/adsorbent interactions:the decisive factor appears to be favorable electrostatic interactionsfor TET yielding a more effective TET removal.}, language = {en} } @article{CohenHershcovitchTarazetal.2023, author = {Cohen, Sarel and Hershcovitch, Moshik and Taraz, Martin and Kissig, Otto and Issac, Davis and Wood, Andrew and Waddington, Daniel and Chin, Peter and Friedrich, Tobias}, title = {Improved and optimized drug repurposing for the SARS-CoV-2 pandemic}, series = {PLoS one}, volume = {18}, journal = {PLoS one}, number = {3}, publisher = {PLoS}, address = {San Fransisco}, issn = {1932-6203}, doi = {10.1371/journal.pone.0266572}, pages = {13}, year = {2023}, abstract = {The active global SARS-CoV-2 pandemic caused more than 426 million cases and 5.8 million deaths worldwide. The development of completely new drugs for such a novel disease is a challenging, time intensive process. Despite researchers around the world working on this task, no effective treatments have been developed yet. This emphasizes the importance of drug repurposing, where treatments are found among existing drugs that are meant for different diseases. A common approach to this is based on knowledge graphs, that condense relationships between entities like drugs, diseases and genes. Graph neural networks (GNNs) can then be used for the task at hand by predicting links in such knowledge graphs. Expanding on state-of-the-art GNN research, Doshi et al. recently developed the Dr-COVID model. We further extend their work using additional output interpretation strategies. The best aggregation strategy derives a top-100 ranking of 8,070 candidate drugs, 32 of which are currently being tested in COVID-19-related clinical trials. Moreover, we present an alternative application for the model, the generation of additional candidates based on a given pre-selection of drug candidates using collaborative filtering. In addition, we improved the implementation of the Dr-COVID model by significantly shortening the inference and pre-processing time by exploiting data-parallelism. As drug repurposing is a task that requires high computation and memory resources, we further accelerate the post-processing phase using a new emerging hardware-we propose a new approach to leverage the use of high-capacity Non-Volatile Memory for aggregate drug ranking.}, language = {en} } @article{PranavHultzschMusiienkoetal.2023, author = {Pranav, Manasi and Hultzsch, Thomas and Musiienko, Artem and Sun, Bowen and Shukla, Atul and Jaiser, Frank and Shoaee, Safa and Neher, Dieter}, title = {Anticorrelated photoluminescence and free charge generation proves field-assisted exciton dissociation in low-offset PM6:Y5 organic solar cells}, series = {APL materials : high impact open access journal in functional materials science}, volume = {11}, journal = {APL materials : high impact open access journal in functional materials science}, number = {6}, publisher = {AIP Publishing}, address = {Melville}, issn = {2166-532X}, doi = {10.1063/5.0151580}, pages = {8}, year = {2023}, abstract = {Understanding the origin of inefficient photocurrent generation in organic solar cells with low energy offset remains key to realizing high-performance donor-acceptor systems. Here, we probe the origin of field-dependent free-charge generation and photoluminescence in wnon-fullereneacceptor (NFA)-based organic solar cells using the polymer PM6 and the NFA Y5-a non-halogenated sibling to Y6, with a smaller energetic offset to PM6. By performing time-delayed collection field (TDCF) measurements on a variety of samples with different electron transport layers and active layer thickness, we show that the fill factor and photocurrent are limited by field-dependent free charge generation in the bulk of the blend. We also introduce a new method of TDCF called m-TDCF to prove the absence of artifacts from non-geminate recombination of photogenerated and dark charge carriers near the electrodes. We then correlate free charge generation with steady-state photoluminescence intensity and find perfect anticorrelation between these two properties. Through this, we conclude that photocurrent generation in this low-offset system is entirely controlled by the field-dependent dissociation of local excitons into charge-transfer states. (c) 2023 Author(s).}, language = {en} } @article{StoltnowWeisKorges2023, author = {Stoltnow, Malte and Weis, Philipp and Korges, Maximilian}, title = {Hydrological controls on base metal precipitation and zoning at the porphyry-epithermal transition constrained by numerical modeling}, series = {Scientific reports}, volume = {13}, journal = {Scientific reports}, number = {1}, publisher = {Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-023-30572-5}, pages = {15}, year = {2023}, abstract = {Ore precipitation in porphyry copper systems is generally characterized by metal zoning (Cu-Mo to Zn-Pb-Ag), which is suggested to be variably related to solubility decreases during fluid cooling, fluid-rock interactions, partitioning during fluid phase separation and mixing with external fluids. Here, we present new advances of a numerical process model by considering published constraints on the temperature- and salinity-dependent solubility of Cu, Pb and Zn in the ore fluid. We quantitatively investigate the roles of vapor-brine separation, halite saturation, initial metal contents, fluid mixing and remobilization as first-order controls of the physical hydrology on ore formation. The results show that the magmatic vapor and brine phases ascend with different residence times but as miscible fluid mixtures, with salinity increases generating metal-undersaturated bulk fluids. The release rates of magmatic fluids affect the location of the thermohaline fronts, leading to contrasting mechanisms for ore precipitation: higher rates result in halite saturation without significant metal zoning, lower rates produce zoned ore shells due to mixing with meteoric water. Varying metal contents can affect the order of the final metal precipitation sequence. Redissolution of precipitated metals results in zoned ore shell patterns in more peripheral locations and also decouples halite saturation from ore precipitation.}, language = {en} }