bluuebunny/crossref_metadata_2025 huggingface dataset:
Neural Nets with a Newton Conjugate Gradient Method on Multiple GPUs
Authors: Reiz Severin , Neckel Tobias , Bungartz Hans-Joachim
Published: April 2023

Training deep neural networks consumes increasing computational resource shares in many compute centers. Often, a brute force approach to obtain hyperparameter values is employed. Our goal is (1) to enhance this by enabling second-order optimization methods with fewer hyperparameters for large-scale neural networks and (2) to compare optimizers for specific tasks to suggest users the best one for their problem. We introduce a novel second-order optimization method that requires the effect of the Hessian on a vector only and avoids the huge cost of explicitly setting up the Hessian for large-scale networks.

We compare the proposed second-order method with two state-of-the-art optimizers on five representative neural network problems, including regression and very deep networks from computer vision or variational autoencoders. For the largest setup, we efficiently parallelized the optimizers with Horovod and applied it to a 8 GPU NVIDIA A100 (DGX-1) machine with 80% parallel efficiency.
Exploring Techniques for the Analysis of Spontaneous Asynchronicity in MPI-Parallel Applications
Authors: Afzal Ayesha , Hager Georg , Wellein Gerhard , Markidis Stefano
Published: April 2023

This paper studies the utility of using data analytics and machine learning techniques for identifying, classifying, and characterizing the dynamics of large-scale parallel (MPI) programs. To this end, we run microbenchmarks and realistic proxy applications with the regular compute-communicate structure on two different supercomputing platforms and choose the per-process performance and MPI time per time step as relevant observables. Using principal component analysis, clustering techniques, correlation functions, and a new “phase space plot,” we show how desynchronization patterns (or lack thereof) can be readily identified from a data set that is much smaller than a full MPI trace. Our methods also lead the way towards a more general classification of parallel program dynamics.
Growth of log-analytic functions
Authors: Kaiser Tobias
Published: April 2023

We show that unary log-analytic functions are polynomially bounded. In the higher dimensional case, globally a log-analytic function can have exponential growth. We show that a log-analytic function is polynomially bounded on a definable set which contains the germ of every ray at infinity.
Irresolute mechanism design: a new path to possibility
Authors: Korpela Ville
Published: April 2023

Often preferences in a group of agents are such that any sensible goal must admit a tie between all alternatives. The standard formulation in mechanism design demands that in this case all alternatives must be equilibrium outcomes of the decision making mechanism. However, as far as the idea of an equilibrium is to predict the outcome, we could equally well require that there are no equilibria at all. Although this may seem innocent, it allows the mechanism designer to implement goals that are impossible to enforce with any other implementation concept, like mixed Nash implementation, subgame perfect implementation, or Nash implementation using undominated strategies.
Physicochemical characterization and quantification of nanoplastics: applicability, limitations and complementarity of batch and fractionation methods
Authors: Huber Maximilian J. , Ivleva Natalia P. , Booth Andy M. , Beer Irina , Bianchi Ivana , Drexel Roland , Geiss Otmar , Mehn Dora , Meier Florian , Molska Alicja , Parot Jeremie , Sørensen Lisbet , Vella Gabriele , Prina-Mello Adriele , Vogel Robert , Caputo Fanny
Published: April 2023

A comprehensive physicochemical characterization of heterogeneous nanoplastic (NPL) samples remains an analytical challenge requiring a combination of orthogonal measurement techniques to improve the accuracy and robustness of the results. Here, batch methods, including dynamic light scattering (DLS), nanoparticle tracking analysis (NTA), tunable resistive pulse sensing (TRPS), transmission electron microscopy (TEM), and scanning electron microscopy (SEM), as well as separation/fractionation methods such as centrifugal liquid sedimentation (CLS) and field-flow fractionation (FFF)–multi-angle light scattering (MALS) combined with pyrolysis gas chromatography mass spectrometry (pyGC–MS) or Raman microspectroscopy (RM) were evaluated for NPL size, shape, and chemical composition measurements and for quantification. A set of representative/test particles of different chemical natures, including (i) polydisperse polyethylene (PE), (ii) (doped) polystyrene (PS) NPLs, (iii) titanium dioxide, and (iv) iron oxide nanoparticles (spherical and elongated), was used to assess the applicability and limitations of the selected methodologies. Particle sizes and number-based concentrations obtained by orthogonal batch methods (DLS, NTA, TRPS) were comparable for monodisperse spherical samples, while higher deviations were observed for polydisperse, agglomerated samples and for non-spherical particles, especially for light scattering methods. CLS and TRPS offer further insight with increased size resolution, while detailed morphological information can be derived by electron microscopy (EM)–based approaches. Combined techniques such as FFF coupled to MALS and RM can provide complementary information on physical and chemical properties by online measurements, while pyGC–MS analysis of FFF fractions can be used for the identification of polymer particles (vs. inorganic particles) and for their offline (semi)quantification. However, NPL analysis in complex samples will continue to present a serious challenge for the evaluated techniques without significant improvements in sample preparation.

Graphical abstract
Prediction of moisture-induced cracks in wooden cross sections using finite element simulations
Authors: Brandstätter Florian , Autengruber Maximilian , Lukacevic Markus , Füssl Josef
Published: April 2023

Wood absorbs and desorbs moisture due to its hygroscopic behavior, leading to moisture gradients in timber elements as well as swelling and shrinkage. These processes are constrained due to the orthotropic material properties of wood, leading to moisture-induced stresses, which can cause crack initiation and propagation. A significant amount of the damage in timber constructions indoors can be related to changes of the moisture content (MC). However, more information is needed about the correlation between moisture changes or gradients and specific damage characteristics, like crack depths. Thus, based on numerical simulations, the crack depth development within two solid timber and one glued laminated timber (GLT) cross section over time for different relative humidity (RH) reductions and initial MCs is analyzed. For this purpose, a multi-Fickian transport model is used to determine moisture fields, which are then used as loads in a subsequent stress simulation, where linear elastic material behavior is considered. An extended finite element approach, supported by a multisurface failure criterion defining the failure behavior, allows for the simulation of moisture-induced discrete cracking. Based on simulation results, correlations between potential maximum crack depths and moisture gradients in indoor climate conditions are derived, which enables the prediction of crack depths in wood. Finally, it is shown that the initial MC level significantly influences the maximum crack depth that can be expected.
FACE-Q Patient Report-Assisted Subjective and Objective Evaluation of Blepharoplasty Outcomes Using Two Different Suturing Techniques: A Randomized and Patient-Blinded Pilot Study
Authors: Told Reinhard , Placheta-Györi Eva , Lackner Birgit , Kuchar Andreas , Brugger Jonas , Schmidt-Erfurth Ursula , Dunavölgyi Roman
Published: May 2023

Background

/Objectives

To compare two suturing techniques in patients undergoing upper eyelid blepharoplasty by using the FACE-Q™ Eye Module questionnaire to assess patient-reported outcomes and by blinded Likert-scale gradings of two experienced surgeons.

Methods

90 patients undergoing bilateral blepharoplasty were randomly assigned to a suturing technique (running cutaneous or subcuticular closure) using Prolene 6.0. Patients completed the FACE-Q eye module questionnaire before surgery and 7 days and 3 months after surgery. Further, two trained oculoplastic surgeons assessed the outcome. FACE-Q ratings were RASCH-transformed, and linear models were fitted for appraisal and satisfaction results. Intraclass correlation coefficient (ICC) was calculated to assess the surgeons’ rating agreement.

Results

There was no statistically significantly difference in patients’ FACE-Q self-assessments regarding satisfaction with eyes and appraisal of upper eyelids between the two suturing techniques investigated, both 7 days and 3 months after blepharoplasty. The more content the patient at baseline, the less the increase in satisfaction after 3 months. There was good agreement between blinded graders in outcome assessment expressed by an ICC of 0.86. Dry-eye symptoms increased after surgery, independent of the suturing technique, patient age or sex.

Conclusion

In conclusion, this study shows that post operative patient satisfaction is independent of suturing technique, but depends on baseline FACE-Q reports. These findings are valuable in patient communication and selection and are in line with observer-based assessments.

Level of Evidence III

This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors http://www.springer.com/00266.
Lanthanide and yttrium substitution in natural fluorite
Authors: Horsburgh Nicola J. , Finch Adrian A. , Friis Henrik
Published: April 2023

Fluorite is one of the most common minerals in the crust and is of widespread economic importance. It shows strong UV-excited luminescence, variously attributed to defects within the fluorite structure and lanthanide substitutions. We present here a detailed chemical characterisation of a suite of natural fluorite samples, chosen to represent the range of compositions observed in nature. We perform X-ray excited luminescence spectroscopy on the samples as a function of temperature (20–673 K) in the wavelength range 250–800 nm to provide insights into physical defects in the lattice and their interactions with lanthanide substituents in natural fluorite. Most broad bands in the UV are attributed to electronic defects in the fluorite lattice, whereas sharp emissions are attributed to intra-ion energy cascades in trivalent lanthanides. Lanthanides are accommodated in fluorite by substitution for Ca2+coupled with interstitial F−, O2−(substituting for F−) and a variety of electronic defect structures which provide local charge balance. The chondrite-normalised lanthanide profiles show that fluorite accommodates a greater proportion of heavy lanthanides (and Y) as the total Rare Earth Element (REE) concentration increases; whereas cell parameters decrease and then increase as substitution continues. Luminescence intensity also goes through a maximum and then decreases as a function of REE concentration. All three datasets are consistent with a model whereby lanthanides initially act as isolated centres, but, beyond a critical threshold (~ 1000 ppm), cluster into lanthanide-rich domains. Clustering results in shorter REE-O bond distances (favouring smaller heavier ions), a larger unit cell but more efficient energy transfer between lanthanides, thereby promoting non-radiative energy loss and a drop in the intensity of lanthanide emission.
Association between vitamin D status and eryptosis–results from the German National Cohort Study
Authors: Ewendt Franz , Schmitt Marvin , Kluttig Alexander , Kühn Julia , Hirche Frank , Kraus Frank B. , Ludwig-Kraus Beatrice , Mikolajczyk Rafael , Wätjen Wim , Bürkner Paul-Christian , Föller Michael , Stangl Gabriele I.
Published: May 2023

Vitamin D, besides its classical effect on mineral homeostasis and bone remodeling, can also modulate apoptosis. A special form of apoptosis termed eryptosis appears in erythrocytes. Eryptosis is characterized by cell shrinkage, membrane blebbing, and cell membrane phospholipid disorganization and associated with diseases such as sepsis, malaria or iron deficiency, and impaired microcirculation. To our knowledge, this is the first study that linked vitamin D with eryptosis in humans. This exploratory cross-sectional trial investigated the association between the vitamin D status assessed by the concentration of plasma 25-hydroxyvitamin D (25(OH)D) and eryptosis. Plasma 25(OH)D was analyzed by LC–MS/MS, and eryptosis was estimated from annexin V-FITC-binding erythrocytes by FACS analysis in 2074 blood samples from participants of the German National Cohort Study. We observed a weak but clear correlation between low vitamin D status and increased eryptosis (r =  − 0.15; 95% CI [− 0.19, − 0.10]). There were no differences in plasma concentrations of 25(OH)D and eryptosis between male and female subjects. This finding raises questions of the importance of vitamin D status for eryptosis in terms of increased risk for anemia or cardiovascular events.
Experimental characterization of the turbulent intake jet in an engine flow bench
Authors: Welch Cooper , Illmann Lars , Schmidt Marius , Böhm Benjamin
Published: April 2023

The turbulent intake flow of an optically accessible internal combustion engine is modeled using an air flow bench to reduce the complexity in the number of variables inherent within engine flows. By removing the piston and introducing a new optically accessible housing and outlet channel, the flow bench design simulates engine flows in the region just downstream of the intake valves and offers the possibility to measure and calculate quantities that would be difficult or impossible to obtain in the unsteady environment of a dynamic engine. Velocity data obtained via high-speed particle image velocimetry of the flow bench in the symmetry and valve planes are compared with data from a base operating condition of the motored engine at an intake pressure of $$0.95$$

0.95

 bar and a speed of $$800$$

800

rpm at $$- 270$$

-
270

°CA ($$270$$

270

crank-angle-degrees before compression top dead center), beginning with stationary valves at the corresponding valve lift of $$- 270$$

-
270

°CA, then with moving valves. Analysis of the intake jet turbulence for increasing mass flow rates reveals a coherent flapping of the jet at a frequency of $$752.5$$

752.5

 Hz for only the $$100$$

100

% mass flow rate case. The vortex shedding frequency of the valve stem is estimated to being in the range of $$634$$

634

–$$799$$

799

 Hz, indicating a possible link between the coherent jet flapping and the vortex shedding surviving the acceleration through the valve gap. Through comprehensive analysis, this study provides valuable validation data and insight into the intake flows of internal combustion engines.
Amplification of annual and diurnal cycles of alpine lightning
Authors: Simon Thorsten , Mayr Georg J. , Morgenstern Deborah , Umlauf Nikolaus , Zeileis Achim
Published: April 2023

The response of lightning to a changing climate is not fully understood. Historic trends of proxies known for fostering convective environments suggest an increase of lightning over large parts of Europe. Since lightning results from the interaction of processes on many scales, as many of these processes as possible must be considered for a comprehensive answer. Recent achievements of decade-long seamless lightning measurements and hourly reanalyses of atmospheric conditions including cloud micro-physics combined with flexible regression techniques have made a reliable reconstruction of cloud-to-ground lightning down to its seasonally varying diurnal cycle feasible. The European Eastern Alps and their surroundings are chosen as reconstruction region since this domain includes a large variety of land-cover, topographical and atmospheric circulation conditions. The most intense changes over the four decades from 1980 to 2019 occurred over the high Alps where lightning activity doubled in the 2010 s compared to the 1980 s. There, the lightning season reaches a higher maximum and starts one month earlier. Diurnally, the peak is up to 50% stronger with more lightning strikes in the afternoon and evening hours. Signals along the southern and northern alpine rim are similar but weaker whereas the flatlands surrounding the Alps have no significant trend.
MSX1-expression during the different phases in healthy human endometrium
Authors: Eppich Simon , Kuhn Christina , Schmoeckel Elisa , Mayr Doris , Mahner Sven , Jeschke Udo , Gallwas Julia , Heidegger Helene Hildegard
Published: April 2023

Purpose

The human endometrium consists of different layers (basalis and functionalis) and undergoes different phases throughout the menstrual cycle. In a former paper, our research group was able to describe MSX1 as a positive prognosticator in endometrial carcinomas. The aim of this study was to examine the MSX1 expression in healthy endometrial tissue throughout the different phases to gain more insight on the mechanics of MSX-regulation in the female reproductive system.

Materials and methods

In this retrospective study, we investigated a total of 17 normal endometrial tissues (six during proliferative phase and five during early and six during late secretory phase). We used immunohistochemical staining and an immunoreactive score (IRS) to evaluate MSX1 expression. We also investigated correlations with other proteins, that have already been examined in our research group using the same patient collective.

Results

MSX1 is expressed in glandular cells during the proliferative phase and downregulated at early and late secretory phase (p = 0.011). Also, a positive correlation between MSX1 and the progesterone-receptor A (PR-A) (correlation coefficient (cc) = 0.0671; p = 0.024), and the progesterone receptor B (PR-B) (cc = 0.0691; p = 0.018) was found. A trend towards negative correlation was recognized between MSX1 and Inhibin Beta-C-expression in glandular cells (cc = − 0.583; p-value = 0.060).

Conclusion

MSX1 is known as a member of the muscle segment homeobox gene family. MSX1 is a p53-interacting protein and overexpression of homeobox MSX1 induced apoptosis of cancer cells. Here we show that MSX1 is expressed especially in the proliferative phase of glandular epithelial tissue of the normal endometrium. The found positive correlation between MSX1 and progesterone receptors A and B confirms the results of a previous study on cancer tissue by our research group. Because MSX1 is known to be downregulated by progesterone, the found correlation of MSX1 and both PR-A and -B may represent a direct regulation of the MSX1 gene by a PR-response element. Here further investigation would be of interest.
A multimodal marker for cognitive functioning in multiple sclerosis: the role of NfL, GFAP and conventional MRI in predicting cognitive functioning in a prospective clinical cohort
Authors: van Dam Maureen , de Jong Brigit A. , Willemse Eline A. J. , Nauta Ilse M. , Huiskamp Marijn , Klein Martin , Moraal Bastiaan , de Geus-Driessen Sanne , Geurts Jeroen J. G. , Uitdehaag Bernard M. J. , Teunissen Charlotte E. , Hulst Hanneke E.
Published: April 2023

Background

Cognitive impairment in people with MS (PwMS) has primarily been investigated using conventional imaging markers or fluid biomarkers of neurodegeneration separately. However, the single use of these markers do only partially explain the large heterogeneity found in PwMS.

Objective

To investigate the use of multimodal (bio)markers: i.e., serum and cerebrospinal fluid (CSF) levels of neurofilament light chain (NfL) and glial fibrillary acidic protein (GFAP) and conventional imaging markers in predicting cognitive functioning in PwMS.

Methods

Eighty-two PwMS (56 females, disease duration = 14 ± 9 years) underwent neuropsychological and neurological examination, structural magnetic resonance imaging, blood sampling and lumbar puncture. PwMS were classified as cognitively impaired (CI) if scoring ≥ 1.5SD below normative scores on ≥ 20% of test scores. Otherwise, PwMS were defined as cognitively preserved (CP). Association between fluid and imaging (bio)markers were investigated, as well as binary logistics regression to predict cognitive status. Finally, a multimodal marker was calculated using statistically important predictors of cognitive status.

Results

Only higher NfL levels (in serum and CSF) correlated with worse processing speed (r = − 0.286, p = 0.012 and r = − 0.364, p = 0.007, respectively). sNfL added unique variance in the prediction of cognitive status on top of grey matter volume (NGMV), p = 0.002). A multimodal marker of NGMV and sNfL yielded most promising results in predicting cognitive status (sensitivity = 85%, specificity = 58%).

Conclusion

Fluid and imaging (bio)markers reflect different aspects of neurodegeneration and cannot be used interchangeably as markers for cognitive functioning in PwMS. The use of a multimodal marker, i.e., the combination of grey matter volume and sNfL, seems most promising for detecting cognitive deficits in MS.
Peroxisomes during postnatal development of mouse endocrine and exocrine pancreas display cell-type- and stage-specific protein composition
Authors: Colasante Claudia , Bonilla-Martinez Rocio , Berg Timm , Windhorst Anita , Baumgart-Vogt Eveline
Published: May 2023

Peroxisomal dysfunction unhinges cellular metabolism by causing the accumulation of toxic metabolic intermediates (e.g. reactive oxygen species, very -chain fatty acids, phytanic acid or eicosanoids) and the depletion of important lipid products (e.g. plasmalogens, polyunsaturated fatty acids), leading to various proinflammatory and devastating pathophysiological conditions like metabolic syndrome and age-related diseases including diabetes. Because the peroxisomal antioxidative marker enzyme catalase is low abundant in Langerhans islet cells, peroxisomes were considered scarcely present in the endocrine pancreas. Recently, studies demonstrated that the peroxisomal metabolism is relevant for pancreatic cell functionality. During the postnatal period, significant changes occur in the cell structure and the metabolism to trigger the final maturation of the pancreas, including cell proliferation, regulation of energy metabolism, and activation of signalling pathways. Our aim in this study was to (i) morphometrically analyse the density of peroxisomes in mouse endocrine versus exocrine pancreas and (ii) investigate how the distribution and the abundance of peroxisomal proteins involved in biogenesis, antioxidative defence and fatty acid metabolism change during pancreatic maturation in the postnatal period. Our results prove that endocrine and exocrine pancreatic cells contain high amounts of peroxisomes with heterogeneous protein content indicating that distinct endocrine and exocrine cell types require a specific set of peroxisomal proteins depending on their individual physiological functions. We further show that significant postnatal changes occur in the peroxisomal compartment of different pancreatic cells that are most probably relevant for the metabolic maturation and differentiation of the pancreas during the development from birth to adulthood.
Efficient multiscale modeling of heterogeneous materials using deep neural networks
Authors: Aldakheel Fadi , Elsayed Elsayed S. , Zohdi Tarek I. , Wriggers Peter
Published: April 2023

Material modeling using modern numerical methods accelerates the design process and reduces the costs of developing new products. However, for multiscale modeling of heterogeneous materials, the well-establishedhomogenization techniquesremaincomputationally expensivefor high accuracy levels. In this contribution, a machine learning approach, convolutional neural networks (CNNs), is proposed as a computationally efficient solution method that is capable of providing a high level of accuracy. In this work, the data-set used for the training process, as well as the numerical tests, consists of artificial/real microstructural images (“input”). Whereas, the output is the homogenized stress of a given representative volume element$$\mathcal {RVE}$$RVE. The model performance is demonstrated by means of examples and compared with traditional homogenization methods. As the examples illustrate, high accuracy in predicting the homogenized stresses, along with a significant reduction in the computation time, were achieved using the developed CNN model.
Medizinische Priorisierung in Pandemien und der ethische Diskriminierungsbegriff
Authors: Dufner Annette
Published: April 2023

Im Falle von Pandemien können die Kapazitäten auf den Intensivstationen bekanntlich knapp werden. In Deutschland hat dieser Umstand zu einem Urteil des Bundesverfassungsgerichts geführt, in dem vom Gesetzgeber verlangt wurde, Menschen mit Behinderungen für solche Fälle besser vor Diskriminierung zu schützen. Aus ethischer Sicht hängt die Frage nach den Diskriminierungspotentialen von Priorisierungskriterien stark davon ab, worin genau das Übel einer Diskriminierung verortet werden muss – eine Frage, zu der es in der Ethik mehrere konkurrierende Theoriegruppen gibt. In diesem Aufsatz soll gezeigt werden, dass diese Theorien darüber hinaus jeweils einer Ergänzung bedürfen, um dem Phänomen der indirekten Diskriminierung gerecht werden zu können. Wie hier am Beispiel einiger konkreter Triage-Kriterien gezeigt werden soll, ist ein Ansatz mittlerer Breite besonders geeignet, um die Aufmerksamkeit auf den Kern der aktuellen Probleme zu lenken. Dazu zählt insbesondere das Ausmaß, in dem soziale Gepflogenheiten gegenüber Menschen mit bereits zuvor bestehenden konkreten Schwierigkeiten generell Auswirkungen auf die Struktur ihrer sozialen Interaktionen haben.
Two-dimensional Analysis of the Group Interaction Effects Between End-bearing Piles Embedded in a Rock Mass
Authors: Millán M. A. , Picardo A. , Galindo R.
Published: April 2023

This research is a two-dimensional analysis of the interaction effect in a group of piles socketed in a rock mass when studying the end-bearing capacity of the group. This problem was extensively studied for deep foundations in soils, but very little is published about foundations in rock. The study was conducted in 2D to establish the basis and criteria to analyze the problem, as well as understand the main factors and failure mechanisms involved when several piles work together in a foundation. The factors included in the analysis are, among others: the parameters of the rock mass, the pile embedment, and the pile separation. The research highlights shaft resistance as one of the key factors in the interaction. It proves that neglecting shaft resistance changes the interaction influence and the failure mechanism which may not be on the safe side. The research includes an analysis of the failure modes of different pile configurations using the discontinuity layout optimization (DLO) method, by taking advantage of the method’s ability to show the wedge configuration at the failure. The minimum and maximum efficiencies are characterized in terms of the pile separation values, thereby proposing a procedure to obtain the absolute minimum efficiency of the group. A second procedure is also presented for the approximate prediction of the bearing capacity of the pile tip, for a group with a particular number of piles and properties, by considering the contribution of the corner piles and the intermediate piles.
Genome-wide association study of hemolytic uremic syndrome causing Shiga toxin-producing Escherichia coli from Sweden, 1994–2018
Authors: Matussek Andreas , Mernelius Sara , Chromek Milan , Zhang Ji , Frykman Anne , Hansson Sverker , Georgieva Valya , Xiong Yanwen , Bai Xiangning
Published: April 2023

Shiga toxin-producing Escherichia coli (STEC) infection can cause clinical manifestations ranging from diarrhea to potentially fatal hemolytic uremic syndrome (HUS). This study is aimed at identifying STEC genetic factors associated with the development of HUS in Sweden. A total of 238 STEC genomes from STEC-infected patients with and without HUS between 1994 and 2018 in Sweden were included in this study. Serotypes, Shiga toxin gene (stx) subtypes, and virulence genes were characterized in correlation to clinical symptoms (HUS and non-HUS), and pan-genome wide association study was performed. Sixty-five strains belonged to O157:H7, and 173 belonged to non-O157 serotypes. Our study revealed that strains of O157:H7 serotype especially clade 8 were most commonly found in patients with HUS in Sweden. stx2a and stx2a + stx2c subtypes were significantly associated with HUS. Other virulence factors associated with HUS mainly included intimin (eae) and its receptor (tir), adhesion factors, toxins, and secretion system proteins. Pangenome wide-association study identified numbers of accessory genes significantly overrepresented in HUS-STEC strains, including genes encoding outer membrane proteins, transcriptional regulators, phage-related proteins, and numerous genes related to hypothetical proteins. Whole-genome phylogeny and multiple correspondence analysis of pangenomes could not differentiate HUS-STEC from non-HUS-STEC strains. In O157:H7 cluster, strains from HUS patients clustered closely; however, no significant difference in virulence genes was found in O157 strains from patients with and without HUS. These results suggest that STEC strains from different phylogenetic backgrounds may independently acquire genes determining their pathogenicity and confirm that other non-bacterial factors and/or bacteria-host interaction may affect STEC pathogenesis.
Ti-MWW Catalysts for Propylene Oxide Production: Influence of Si/Ti Ratio and Calcination Conditions
Authors: Alvear Matias , Schmidt Christoph , Reinsdorf Ole , Lebron-Rodrigez Edgard , Al Abdulghani Abdullah , Hermans Ive , Peurla Markus , Lastusaari Mika , Eränen Kari , Murzin Dmitry Yu. , Kumar Narendra , Salmi Tapio
Published: April 2023

Titanium silicates of MWW structures with different Si/Ti ratios were prepared via hydrothermal synthesis using piperidine as the structure directing agent and boric acid as the crystallization agent. All the syntheses resulted in highly crystalline materials independent of the Si/Ti ratio. The observed morphology showed MWW-like well-defined thin hexagonal platelets. The synthesized Ti-MWW materials exhibited higher surface areas and partial meso-porosity compared to the commercial TS-1 catalyst. The coordination of the Ti-species was investigated by UV–vis- and IR-spectroscopy. The MWW titanium silicates were tested for the catalytic performance in the epoxidation of propylene in a laboratory-scale trickle bed reactor to compare their clear different physico-chemical properties with the commercial TS-1. The synthesized Ti-MWW materials showed significantly higher catalytic activities, up to 3.5 times, using acetonitrile as the solvent and enhanced epoxide selectivities partially up to 100% in methanol unlike TS-1. The effect of the Ti content in the MWW and the calcination conditions were investigated in propylene epoxidation, revealing the beneficial effect of a lower calcination temperature and an increased Ti content on the activity. The catalytic results were correlated with the physico-chemical properties of the synthesized materials.

Graphical Abstract
Emotional Contagion in Collaborative Virtual Reality Learning Experiences: An eSports Approach
Authors: Dirin Amir , Nieminen Marko , Laine Teemu H. , Nieminen Lassi , Ghalebani Leila
Published: April 2023

Emotional contagion is an intriguing subject in many academic fields, and it is also relevant in collaborative learning where learners share a physical or virtual space. We aimed at exploring the possibilities of motivating, fascinating, and experiential elements of virtual reality (VR) in a collaborative learning context, with a focus on emotional contagion. We adopted the eSports mode as a competency development strategy in collaborative learning, using VR to evaluate emotional contagion that is invoked between the presenters and spectators. For this purpose, we created a VR application (HHVR) that allows freshmen students to learn about the premises and academic life at a university. We then divided 43 adult participants into presenters (N = 9) and spectators (N = 34); the presenters experienced the HHVR application first-hand, whereas the spectators watched the experience through a monitor. We used a questionnaire and semi-structured interviews to measure what feelings of being — existential feelings that affect the way we react to the world — the participants experienced. The collected data were analyzed by Principal Component Analysis and qualitative data coding and the results revealed emotional contagion; the spectators who followed the presenters on a monitor showed similar emotional engagement with the presenters who used the application. In conclusion, the proposed eSports mode can be a useful pedagogical technique in the context of collaborative learning with VR, as it engages emotionally both the presenters and spectators. These findings can be helpful for designing emotionally engaging collaborative learning experiences with VR and for conducting group-based UX evaluations of VR applications.
Age, growth, and reproduction of the yellow-edged lyretail Variola louti (Forssakal, 1775)
Authors: Schemmel Eva , Dahl Kristen
Published: April 2023

Groupers (Family Epinephelidae) are important to commercial, subsistence, and recreational fisheries throughout the world. Grouper species have complex life histories that make them more vulnerable to exploitation. While there has been extensive research on some, the majority of groupers lack sufficient life history information for proper management. The yellow-edge lyretail grouper, Variola louti, has life history gaps that need to be filled and lacks regional life history information for Guam. Age, growth, and reproduction were assessed from fishery-dependent samples collected from around Guam from 2010 to 2017. Variola louti ranged from 19.4 to 49.7 cm fork length (FL) and 2 to 17 years old. Due to the size selectivity of the fishery, a Bayesian von Bertalanffy growth model was applied. The von Bertalanffy growth parameters were L∞ = 43.7 cm FL, k = 0.28, and t0 =  − 0.2. Protogynous hermaphroditism was confirmed with females reaching reproductive maturity at 26.0 cm FL (L50) and 2.6 years (A50) and female to male sex change at 35.3 cm FL (LΔ50) and 6.1 years (AΔ50). Sex ratio was 1.5 females per male, excluding transitional individuals. Using Hoenig’s method, natural mortality was estimated at 0.37 year−1. The life history of Variola louti suggests that it is a relatively fast growing and early maturing grouper that is not as vulnerable to exploitation as larger bodied, slower growing groupers. However, future monitoring of sex ratio, size at maturity, and size at sex change is recommended to track and manage fishery effects, such as the recent scuba spear ban in Guam, on the life history and population status of this species.
Exploring Maternal Interactions During Shared Book Readings in Indian Home Contexts
Authors: Jacob Riya Sara , John Sunila , Bellon-Harn Monica L. , Manchaiah Vinaya
Published: April 2023

The importance of parent-child shared book reading (SBR) is well established. However, there is a limited understanding of parental interaction patterns during SBR among preschool children in the Indian context. Using a cross-sectional observational study design, mothers’ verbal and nonverbal behavior during SBR was analyzed in 26 Kannada-speaking mother-child dyads. Relationships between the quantity of SBR experiences and parental attitudes and beliefs about storybook reading were examined. Findings revealed that mothers predominantly used dialogic reading strategies followed by extra-textual talk, print referencing strategies, and nonverbal strategies. Few correlations were found between parental attitudes and beliefs and the quantity of SBR experiences. Implications for parent training in SBR are discussed.
The Link Between Expertise, the Cognitive Demands of Teacher Noticing and, Experience in Teaching Mathematics in Secondary Schools
Authors: Bastian Anton , Kaiser Gabriele , Meyer Dennis , König Johannes
Published: May 2023

Teacher noticing, a situation-specific part of teachers’ professional competence, has gained much importance in the past two decades. The construct is believed to play a crucial role in the transfer of knowledge and skills into professional teaching performance. However, there is little empirical evidence on how the length of teachers’ teaching experience affects the development of expertise in teacher noticing. In particular, little research has been conducted on the development of facets of teacher noticing—namely perception, interpretation, and decision-making—as well as the handling of cognitive demands while applying teacher noticing. To fill this research gap, the present study investigates the teacher noticing of master’s students, early-career teachers, and experienced teachers in the context of secondary mathematics via cross-sectional comparison. Teacher noticing skills and differences between the three groups are analyzed based on participants’ ability to deal with the cognitive demands of an established video-based teacher noticing instrument. The results suggest significant increases in teacher noticing from students to in-service teachers, especially in mathematic-specific areas. Hardly any significant differences were found between early-career and experienced teachers, which suggests a stagnation in teacher noticing skills. However, the early-career teachers showed better performance in decision-making and mathematics-related items as well as knowledge-based items related to recent topics from mathematics pedagogy and general pedagogy. This result emphasizes the importance of knowledge prerequisites for the development of expertise in teacher noticing. It also highlights that expertise development is not directly connected to the length of teaching experience.
Reducing Medication Errors by Adopting Automatic Dispensing Cabinets in Critical Care Units
Authors: Tu Hui-Ning , Shan Tzu-Hao , Wu Yu-Chin , Shen Pei-Hsuan , Wu Tsung-Yu , Lin Wen-Liang , Yang-Kao Yea-Huei , Cheng Ching-Lan
Published: April 2023

Medication errors can have severe consequences and threaten patient safety. The patient safety-related benefits of automated dispensing cabinets (ADCs) have been reported by several previous studies, including a reduction in medication errors in intensive care units (ICUs) and emergency departments. However, the benefits of ADCs need to be assessed, given the different healthcare practice models. This study aimed to compare the rates of medication errors, including prescription, dispensing, and administrative, before and after using ADCs in intensive care units. The prescription, dispensing, and administrative error data before and after the adoption of ADCs were retrospectively collected from the medication error report system. The severity of medication errors was classified according to the National Coordinating Council for Medication Error Reporting and Prevention guidelines. The study outcome was the rate of medication errors. After the adoption of ADCs in the intensive care units, the rates of prescription and dispensing errors reduced from 3.03 to 1.75 per 100,000 prescriptions and 3.87 to 0 per 100,000 dispensations, respectively. The administrative error rate decreased from 0.046 to 0.026%. The ADCs decreased National Coordinating Council for Medication Error Reporting and Prevention category B and D errors by 75% and category C errors by 43%. To improve medication safety, multidisciplinary collaboration and strategies, such as the use of automated dispensing cabinets, education, and training programs from a systems perspective, are warranted.
Effective treatment of petroleum oil–contaminated wastewater using activated sludge modified with magnetite/silicon nanocomposite
Authors: Zabermawi Nidal M. , Bestawy Ebtesam El
Published: May 2023

The study aimed to optimize the treatment of oil refinery–contaminated wastewater through modification of the well-established activated sludge process with new nanocomposite (NC) materials to produce high-quality treated effluents for potential reuse. Refinery wastewater samples were collected from one of the major oil refineries, Alexandria, Egypt, where the operation, performance, and efficiency of the current activated sludge (AS) unit were evaluated for 6 consecutive months. Two AS bench scale PVC basins were constructed. Magnetite nanoparticles (Fe3O4 NPs) and magnetite silica (Fe3O4/silica) nanocomposite (NC) were prepared and characterized. Bioremediation trials were carried out in a sequential batch mode using Fe3O4/silica NC–modified AS and control (unmodified AS). The proposed treatment produced high-quality effluents in a very short time (2 h) despite the very high initial pollutant concentration accompanied with a reduction in the produced sludge. The highest removal of TSS, TDS, BOD, COD, and OG from raw industrial wastewater recorded 78.33, 3.6, 87.65, 85.17, and 92.92% compared to 55.3, 12.6, 50.0, 40.22, and 56.84%, respectively, achieved by the unmodified AS unit. The results confirmed that integration of the AS treatment with nanomaterial composite is highly effective, promising, and economic for the treatment of highly toxic and complicated industrial wastewater such as petroleum refinery effluents.
Potentials of mono- and multi-metal ion removal from water with cotton stalks and date palm stone residuals
Authors: Nagy Heba , Fawzy Manal , Hafez Elsayed , Mahmoud Alaa El Din
Published: May 2023

In this work, cotton stalks
(Gossypium barbadense) and date palm stones (Phoenix dactylifera) have been used as biosorbents to remove cadmium; Cd(II), lead; Pb(II), and zinc; Zn(II) from mono- and multi-solutions. Each biosorbent was characterized using SEM-EDX, and FT-IR. The findings showed that pH, dose, contact time, metal concentration, and particle size affect the treatment process. The adsorption pattern was Pb(II) > Cd(II) > Zn(II) for both biosorbents. The adsorption performance of cotton stalks was higher than that of date palm stones. The fitted maximum uptake capacities; qm of cotton stalks were higher than those of date palm stones. The maximum adsorption at optimum conditions of Pb(II), Cd(II), and Zn(II) with cotton stalks were 98%, 92.1%, and 78.9%, respectively, within 30 min. While the maximum adsorption of Pb(II), Cd(II), and Zn(II) with date palm stones were 94.6%, 76%, and 68.6%, respectively. Results confirmed the antagonistic effect of heavy metal removal at optimum conditions. Biosorbents could remove ~ 100% of the metal ions from real wastewater samples. Regeneration investigation revealed a successful reusability of both biosorbents for four cycles.
Mean Field Games for Diel Vertical Migration with Diffusion
Authors: Mazuryn Maksim , Thygesen Uffe Høgsbro
Published: April 2023

We present a theoretical framework, based on differential mean field games, for expressing diel vertical migration in the ocean as a game with a continuum of players. In such a game, each agent partially controls its own state by adjusting its vertical velocity but the vertical position in a water column is also subject to random fluctuations. A representative player has to make decisions based on aggregated information about the states of the other players. For this vertical differential game, we derive a mean field system of partial differential equations for finding a Nash equilibrium for the whole population. It turns out that finding Nash equilibria in the game is equivalent to solving a PDE-constrained optimization problem. We detail this equivalence when the expected fitness of the representative player can be approximated with a constant and solve both formulations numerically. We illustrate the results on simple numerical examples and construct several test cases to compare the two analytical approaches.
Decarbonisation strategies in industry: going beyond clusters
Authors: Rattle Imogen , Gailani Ahmed , Taylor Peter G.
Published: April 2023

An effective and just industrial transition is necessary both to mitigate climate change and protect jobs, and as a precursor to enable other sectors to decarbonise. Activity is at an early stage and examples of successful sector-wide interventions to decarbonise industry do not yet exist. Governments of industrialised countries are beginning to develop policy and provide funding to support deployment of carbon capture and low-carbon hydrogen infrastructures into high-emitting industrial clusters, but options for sites outside of clusters, denoted here as ‘dispersed sites’, are also required. This paper takes a mixed methods approach to provide the first analysis of the issues facing dispersed industrial sites on their route to decarbonisation and to suggest solutions to the challenges they face. Using the UK as a case study, it first characterises dispersed sites in terms of location, emissions released, sectors involved, and size of companies affected. It then shows how these features mean that simply expanding the geographical scope of the present UK decarbonisation strategy, which focuses on the provision of carbon capture and low-carbon hydrogen, would face a number of challenges and so will need to be broadened to include a wider range of abatement options and other considerations to meet the needs of dispersed sites. While the solutions for each place will be different, these are likely to include some combination of the expansion of shared infrastructure, the development of local zero-carbon hubs, research into a wider range of novel abatement technologies and facilitating local participation in energy planning. The paper concludes with a discussion of remaining knowledge gaps before outlining how its findings might apply to industrial decarbonisation strategies in other countries.
Mechanical Properties of Ti–5Al–5V–5Mo–3Cr Alloy Sintered From Blended Elemental Powders
Authors: Kozlík Jiří , Preisler Dalibor , Haasová Michaela , Stráský Josef , Chráska Tomáš , Janeček Miloš
Published: April 2023

The field-assisted sintering technique (FAST) was successfully used to sinter, homogenize, and age the Ti–5Al–5V–5Mo–3Cr (Ti-5553) aerospace alloy from blended elemental powders in a single processing run. Sintering at a comparatively high temperature of 1500 °C assured chemical homogeneity of the material. Subsequently, without cooling to the room temperature, the temperature was lowered to 600 °C for 30 min to provide annealing treatment and to produce a desired lamellarα + βmicrostructure. Using an in-house designed assembly, a fully dense rod of 15 mm in diameter and 70 mm in length was successfully sintered. Microstructural and mechanical properties of the alloy were investigated and compared with the conventionally processed Ti-5553 alloy. A good combination of strength (1183 MPa) and ductility (6 pct) was achieved; these values are fully comparable to the conventional cast, forged, and aged Ti-5553 alloy. It was shown that homogeneous Ti-5553 alloy can be produced by FAST, FAST can instantly provide necessary annealing steps, and the FAST process can be upscaled to produce homogeneous rods.