bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study of the structural characteristics, optical properties, and electrical conductivity of doped [P(An-MMa)/ZrO2]TF nanofiber composite using experimental data and TD-DFT/DMol3 computations
Authors: kenawy El-Refaie , Ibrahim Ali , Al-Hossainy Ahmed F. 
Published: August 2022

Abstract
The powder form of the new nanofiber composite of poly(acrylonitrile-co-methylmethacrylate) (P(An-MMa)) with zirconium dioxide (ZrO2) was synthesized using the sol–gel method and subsequently converted to a thin film [P(An-MMa)/ZrO2]TF via the physical vapor deposition (PVD) technique. Numerous characterization techniques, including Raman spectroscopy, X-ray diffraction (XRD), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and ultraviolet–visible (UV–Vis) optical spectroscopy, were used to characterize [P(An-MMa)/ZrO2]TF. Additionally, using density functional theory (DFT), optimization via time-dependent density functional theory (TD-DFT/DMol3) and Cambridge Serial Total Energy Bundle (TD-DFT/CASTEP) was developed. The TD-DFT calculations accurately matched the observed XRD and Raman spectra and validated the molecular structure of the examined materials. The average crystallite size of [P(An-MMa)/ZrO2]TF, as determined by XRD calculations, is 171.04 nm. The SEM image depicts a one-dimensional morphological structure made up of tightly packed fibrous nanowires or brushes. The optical properties of the films were determined using optical absorbance spectrophotometric results in the 200–850-nm wavelength range. The optical energy bandgaps computed using Tauc’s equation for [P(An-MMa)/ZrO2]TF are 2.352 and 2.253 eV, respectively, whereas the isolated molecule of the composite [P(An-MMa)/ZrO2]Iso has a bandgap of 2.415 eV as determined by TD-DFT/DMol3. The optical characteristics predicted by CASTEP in TD-DFT are in good agreement with the experimental values. The investigated large optical energy bandgap nanofiber composite is advantageous for some energy storage applications.
Physicochemical and biological ageing processes of (micro)plastics in the environment: a multi-tiered study on polyethylene
Authors: Binda Gilberto , Zanetti Giorgio , Bellasi Arianna , Spanu Davide , Boldrocchi Ginevra , Bettinetti Roberta , Pozzi Andrea , Nizzetto Luca 
Published: August 2022

AbstractPollution by plastic and microplastic impacts the environment globally. Knowledge on the ageing mechanisms of plastics in natural settings is needed to understand their environmental fate and their reactivity in the ecosystems. Accordingly, the study of ageing processes is gaining focus in the context of the environmental sciences. However, laboratory-based experimental research has typically assessed individual ageing processes, limiting environmental applicability. In this study, we propose a multi-tiered approach to study the environmental ageing of polyethylene plastic fragments focusing on the combined assessment of physical and biological processes in sequence. The ageing protocol included ultraviolet irradiation in air and in a range of water solutions, followed by a biofouling test. Changes in surface characteristics were assessed by Fourier transform infrared spectroscopy, scanning electron microscopy, and water contact angle. UV radiation both in air and water caused a significant increase in the density of oxidized groups (i.e., hydroxyl and carbonyl) on the plastic surface, whereby water solution chemistry influenced the process both by modulating surface oxidation and morphology. Biofouling, too, was a strong determinant of surface alterations, regardless of the prior irradiation treatments. All biofouled samples present (i) specific infrared bands of new surface functional groups (e.g., amides and polysaccharides), (ii) a further increase in hydroxyl and carbonyl groups, (iii) the diffuse presence of algal biofilm on the plastic surface, and (iv) a significant decrease in surface hydrophobicity. This suggests that biological-driven alterations are not affected by the level of physicochemical ageing and may represent, in real settings, the main driver of alteration of both weathered and pristine plastics. This work highlights the potentially pivotal role of biofouling as the main process of plastic ageing, providing useful technical insights for future experimental works. These results also confirm that a multi-tiered laboratory approach permits a realistic simulation of plastic environmental ageing in controlled conditions.
Spanning the boundaries between policy, politics and science to solve wicked problems: policy pilots, deliberation fora and policy labs
Authors: Zeigermann Ulrike , Ettelt Stefanie 
Published: August 2022

AbstractCurrent crises have highlighted the importance of integrating research, politics and practice to work on solutions for complex social problems. In recent years, policy deliberation fora, policy pilots and policy labs have increasingly been deployed to mobilise science to produce solutions, help create popular support and guide implementation of policies addressing major public policy problems. Yet, we know little about how these approaches manage to transcend the boundaries between research, politics and practice. By systematically comparing policy deliberation fora, policy pilots and policy labs, this paper explores their mechanisms of boundary spanning including relationship and trust building, knowledge translation and developing solutions. We situate our analysis in healthcare policy and climate change policy in Germany, two contrasting policy fields that share a perpetual and escalating sense of crisis. Our findings suggest that deliberation fora, policy pilots and policy labs address different dilemmas of policymaking, namely the idea dilemma, the implementation dilemma and the legitimacy dilemma. All three approaches reduce wicked problems to a manageable scale, by grounding them in local decision-making, reducing their scope or reducing the problem analytically. We argue that despite their ambition to modernise democratic practices, unless they are institutionally well embedded, their effects are likely to be small scale, local and temporary.
DEAE-Dextran Enhances the Lentiviral Transduction of Primary Human Mesenchymal Stromal Cells from All Major Tissue Sources Without Affecting Their Proliferation and Phenotype
Authors: Amadeo Francesco , Hanson Vivien , Murray Patricia , Taylor Arthur 
Published: August 2022

AbstractGenetic engineering of mesenchymal stromal cells (MSCs) is a tool widely used to explore MSC properties in vitro and in vivo. Lentiviral infection with the use of polycations as an adjuvant is a method that is commonly used to generate stably transduced cells. However, it is known that some polycations can negatively affect primary MSCs and to date, no study has explored the effect of different polycations on the transduction efficiency and properties of all main types of MSCs, namely those derived from umbilical cord, bone marrow and adipose tissue. Here we explore a range of polycations, using transduction protocols with and without spinoculation, to produce stably transduced MSCs from these three tissue sources. We identified that an overnight incubation with diethylaminoethyl-dextran (DEAE-Dextran) is the protocol associated with the best transduction efficiency without compromising the viability of the cells, and which worked consistently with lentiviral particles encoding for different transgenes. Transduced and sorted MSC populations revealed no significant changes in proliferation, morphology and expression of MSC markers compared to naïve MSCs. Following this study, we conclude that DEAE-Dextran is a polycation that can be successfully used to enhance the transduction of MSCs from all major tissue sources.
A Pattern to Link Adenosine Signaling, Circadian System, and Potential Final Common Pathway in the Pathogenesis of Major Depressive Disorder
Authors: Wang Xin-Ling , Gardner Wilf , Yu Shu-Yan , Serchov Tsvetan 
Published: August 2022

AbstractSeveral studies have reported separate roles of adenosine receptors and circadian clockwork in major depressive disorder. While less evidence exists for regulation of the circadian clock by adenosine signaling, a small number of studies have linked the adenosinergic system, the molecular circadian clock, and mood regulation. In this article, we review relevant advances and propose that adenosine receptor signaling, including canonical and other alternative downstream cellular pathways, regulates circadian gene expression, which in turn may underlie the pathogenesis of mood disorders. Moreover, we summarize the convergent point of these signaling pathways and put forward a pattern by which Homer1a expression, regulated by both cAMP-response element binding protein (CREB) and circadian clock genes, may be the final common pathogenetic mechanism in depression.
Evaluation of Methods and Processes for Robust Monitoring of SARS-CoV-2 in Wastewater
Authors: Maksimovic Carvalho Ferreira Olivera , Lengar Živa , Kogej Zala , Bačnik Katarina , Bajde Irena , Milavec Mojca , Županič Anže , Mehle Nataša , Kutnjak Denis , Ravnikar Maja , Gutierrez-Aguirre Ion 
Published: August 2022

AbstractThe SARS-CoV-2 pandemic has accelerated the development of virus concentration and molecular-based virus detection methods, monitoring systems and overall approach to epidemiology. Early into the pandemic, wastewater-based epidemiology started to be employed as a tool for tracking the virus transmission dynamics in a given area. The complexity of wastewater coupled with a lack of standardized methods led us to evaluate each step of the analysis individually and see which approach gave the most robust results for SARS-CoV-2 monitoring in wastewater. In this article, we present a step-by-step, retrospective view on the method development and implementation for the case of a pilot monitoring performed in Slovenia. We specifically address points regarding the thermal stability of the samples during storage, screening for the appropriate sample concentration and RNA extraction procedures and real-time PCR assay selection. Here, we show that the temperature and duration of the storage of the wastewater sample can have a varying impact on the detection depending on the structural form in which the SARS-CoV-2 target is present. We found that concentration and RNA extraction using Centricon filtration units coupled with Qiagen RNA extraction kit or direct RNA capture and extraction using semi-automated kit from Promega give the most optimal results out of the seven methods tested. Lastly, we confirm the use of N1 and N2 assays developed by the CDC (USA) as the best performing assays among four tested in combination with Fast Virus 1-mastermix. Data show a realistic overall process for method implementation as well as provide valuable information in regards to how different approaches in the analysis compare to one another under the specific conditions present in Slovenia during a pilot monitoring running from the beginning of the pandemic.
Hydrogen-based direct reduction of iron oxide at 700°C: Heterogeneity at pellet and microstructure scales
Authors: Ma Yan , Souza Filho Isnaldi R. , Zhang Xue , Nandy Supriya , Barriobero-Vila Pere , Requena Guillermo , Vogel Dirk , Rohwerder Michael , Ponge Dirk , Springer Hauke , Raabe Dierk 
Published: August 2022

AbstractSteel production causes a third of all industrial CO2 emissions due to the use of carbon-based substances as reductants for iron ores, making it a key driver of global warming. Therefore, research efforts aim to replace these reductants with sustainably produced hydrogen. Hydrogen-based direct reduction (HyDR) is an attractive processing technology, given that direct reduction (DR) furnaces are routinely operated in the steel industry but with CH4 or CO as reductants. Hydrogen diffuses considerably faster through shaft-furnace pellet agglomerates than carbon-based reductants. However, the net reduction kinetics in HyDR remains extremely sluggish for high-quantity steel production, and the hydrogen consumption exceeds the stoichiometrically required amount substantially. Thus, the present study focused on the improved understanding of the influence of spatial gradients, morphology, and internal microstructures of ore pellets on reduction efficiency and metallization during HyDR. For this purpose, commercial DR pellets were investigated using synchrotron high-energy X-ray diffraction and electron microscopy in conjunction with electron backscatter diffraction and chemical probing. Revealing the interplay of different phases with internal interfaces, free surfaces, and associated nucleation and growth mechanisms provides a basis for developing tailored ore pellets that are highly suited for a fast and efficient HyDR.
Testing the Mindfulness-to-Meaning Theory in Daily Life
Authors: Sgherza Tanika R. , DeMarree Kenneth G. , Naragon-Gainey Kristin 
Published: August 2022

Abstract

Objectives
The mindfulness-to-meaning theory (MMT) describes the processes through which mindfulness leads to enhanced eudaimonic wellbeing (indirectly via mediating processes such as increased decentering, reappraisal, positive affect, and savoring), but little is currently known about how these processes impact one another over short time periods (e.g., across several hours). The current study tested the MMT by measuring these variables repeatedly as they occur naturalistically in daily life.

Methods
Three hundred and forty-five community members aged 18–65 completed surveys on smartphones six times per day over 7 days, assessing their current levels of decentering, reappraisal, positive affect, savoring, and wellbeing, as part of a larger study. Multilevel structural equation modeling in Mplus was used to analyze the nested data with mediation models.

Results
There was a significant indirect effect through the proposed MMT pathway at the within-person level, with all variables measured concurrently. Lagged mediation examining prospective effects indicated that the full indirect MMT pathway was not significant in predicting later wellbeing, though some individual indirect pathways were significant prospectively. Follow-up analyses testing alternative temporal ordering suggested bidirectional effects of savoring and positive affect in explaining the mutual association between decentering and wellbeing.

Conclusions
Overall, this study found support for hypothesized MMT processes in daily life and measured over short time periods, with evidence for bidirectional effects for some processes. However, reappraisal showed inconsistent effects, requiring further study and replication using ecological momentary assessment designs.
Social Rationalizability with Mediation
Authors: Herings P. Jean-Jacques , Mauleon Ana , Vannetelbosch Vincent 
Published: August 2022

AbstractWe propose a solution concept for social environments called social rationalizability with mediation that identifies the consequences of common knowledge of rationality and farsightedness. In a social environment several coalitions may and could be willing to move at the same time. Individuals not only hold conjectures about the behaviors of other individuals but also about how a mediator is going to solve conflicts of interest. The set of socially rationalizable outcomes with mediation is shown to be non-empty for all social environments, and it can be computed by an iterative reduction procedure. We show that social rationalizability with mediation does not necessarily satisfy coalitional rationality when the number of coalition members is greater than two.
Expansion of the cabin description within the CPACS air vehicle data schema to support detailed analyses
Authors: Walther Jan-N. , Hesse Christian , Alder Marko , Biedermann Jörn Y.-C. , Nagel Björn 
Published: August 2022

AbstractThe air vehicle data schema CPACS (Common Parametric Aircraft Configuration Schema) provides a large variety of options for describing passenger aircraft on different levels of fidelity and exchanging product information in collaborative processes. The section describing the aircraft cabin has been applied primarily in the context of preliminary design processes in the past. However, in the wake of recent developments to integrate more detailed analyses in fields such as vibro-acoustics or passenger comfort, the limitations of the present cabin definition have become increasingly obvious. In this paper, a revised version of the cabin definition is, therefore, presented, which has been adopted as of CPACS version 3.4. A key objective of the new definition is the integration of high-fidelity component geometry models, provided as either polygonal 3D meshes or CAD geometry. For efficient data storage, individual components are collected in a library node in CPACS and subsequently placed inside the fuselage via references. The range of available cabin component types is extended by including paneling elements and luggage compartments. Furthermore, nodes for referencing structural elements are provided to enable modeling of structural connections, e.g., in finite-element models. Aside from the sheer parametric description of the cabin in CPACS, its correct geometric interpretation is also a key aspect, which will be highlighted throughout this work. It is demonstrated using a reference implementation, which allows for the generation of 2D and 3D models for validation.
A scalar Riemann–Hilbert problem on the torus: applications to the KdV equation
Authors: Piorkowski Mateusz , Teschl Gerald 
Published: August 2022

AbstractWe take a closer look at the Riemann–Hilbert problem associated to one-gap solutions of the Korteweg–de Vries equation. To gain more insight, we reformulate it as a scalar Riemann–Hilbert problem on the torus. This enables us to derive deductively the model vector-valued and singular matrix-valued solutions in terms of Jacobi theta functions. We compare our results with those obtained in recent literature.
Teaching practices for unfolding information and connecting multiple representations: the case of conditional probability information
Authors: Post Monika , Prediger Susanne 
Published: August 2022

AbstractMultiple representations can enhance students’ understanding of mathematical concepts and complex information but can also pose well-documented challenges for students. Whereas instructional designs have been optimized to support students’ learning with multiple representations, little is known about supportive teaching practices for dealing with multiple representations in whole-class discussions. In this article, we qualitatively investigate two cases of teacher-student interaction in whole-class discussions in grades 10–12 (about the mathematical topic of complex conditional probability information). The analysis aims at decomposing the teaching practices into those actions that can support or hinder students’ understanding. The comparison of cases reveals that teaching practices can vary greatly: simply translating compacted concepts of a given text into other representations (visual area model, symbolic representation of fractions, and three language varieties) seems to be sufficient for students with advanced understanding. Other students need teachers’ supportive actions for unfolding the highly compacted concepts (such as part-of-part) into several concept elements (part, whole, and part-whole relationship) and explicitly connecting (rather than only translating) the concept elements in multiple representations for the different concept elements. The findings can inform both theory building on teaching practices with multiple representations and professional development.
Farmer surveys in Europe suggest that specialized, intensive farms were more likely to perceive negative impacts from COVID-19
Authors: Helfenstein Julian , Bürgi Matthias , Debonne Niels , Dimopoulos Thymios , Diogo Vasco , Dramstad Wenche , Edlinger Anna , Garcia-Martin Maria , Hernik Józef , Kizos Thanasis , Lausch Angela , Levers Christian , Mohr Franziska , Moreno Gerardo , Pazur Robert , Siegrist Michael , Swart Rebecca , Thenail Claudine , Verburg Peter H. , Williams Tim G , Zarina Anita , Herzog Felix 
Published: August 2022

AbstractIt has been shown that the COVID-19 pandemic affected some agricultural systems more than others, and even within geographic regions, not all farms were affected to the same extent. To build resilience of agricultural systems to future shocks, it is key to understand which farms were affected and why. In this study, we examined farmers’ perceived robustness to COVID-19, a key resilience capacity. We conducted standardized farmer interviews (n = 257) in 15 case study areas across Europe, covering a large range of socio-ecological contexts and farm types. Interviews targeted perceived livelihood impacts of the COVID-19 pandemic on productivity, sales, price, labor availability, and supply chains in 2020, as well as farm(er) characteristics and farm management. Our study corroborates earlier evidence that most farms were not or only slightly affected by the first wave(s) of the pandemic in 2020, and that impacts varied widely by study region. However, a significant minority of farmers across Europe reported that the pandemic was “the worst crisis in a lifetime” (3%) or “the worst crisis in a decade” (7%). Statistical analysis showed that more specialized and intensive farms were more likely to have perceived negative impacts. From a societal perspective, this suggests that highly specialized, intensive farms face higher vulnerability to shocks that affect regional to global supply chains. Supporting farmers in the diversification of their production systems while decreasing dependence on service suppliers and supply chain actors may increase their robustness to future disruptions.
Therapeutic roles of plants for 15 hypothesised causal bases of Alzheimer’s disease
Authors: Tyler Sheena E. B. , Tyler Luke D. K. 
Published: August 2022

AbstractAlzheimer’s disease (AD) is progressive and ultimately fatal, with current drugs failing to reverse and cure it. This study aimed to find plant species which may provide therapeutic bioactivities targeted to causal agents proposed to be driving AD. A novel toolkit methodology was employed, whereby clinical symptoms were translated into categories recognized in ethnomedicine. These categories were applied to find plant species with therapeutic effects, mined from ethnomedical surveys. Survey locations were mapped to assess how this data is at risk. Bioactivities were found of therapeutic relevance to 15 hypothesised causal bases for AD. 107 species with an ethnological report of memory improvement demonstrated therapeutic activity for all these 15 causal bases. The majority of the surveys were found to reside within biodiversity hotspots (centres of high biodiversity under threat), with loss of traditional knowledge the most common threat. Our findings suggest that the documented plants provide a large resource of AD therapeutic potential. In demonstrating bioactivities targeted to these causal bases, such plants may have the capacity to reduce or reverse AD, with promise as drug leads to target multiple AD hallmarks. However, there is a need to preserve ethnomedical knowledge, and the habitats on which this knowledge depends.Graphical Abstract
Second-order cone and semidefinite methods for the bisymmetric matrix approximation problem
Authors: Al-Homidan Suliman 
Published: August 2022

AbstractApproximating the closest positive semi-definite bisymmetric matrix using the Frobenius norm to a data matrix is important in many engineering applications, communication theory and quantum physics. In this paper, we will use the interior point method to solve this problem. The problem will be reformulated into various forms, in the beginning as a semi-definite programming problem and later, into the form of a mixed semidefintie and second-order cone optimization problem. Numerical results comparing the efficiency of these methods with the alternating projection algorithm will be reported.