bluuebunny/crossref_metadata_2025_split huggingface dataset:
Determination of the iron(IV) local spin states of the Q intermediate of soluble methane monooxygenase by Kβ X-ray emission spectroscopy
Authors: Cutsail George E. , Banerjee Rahul , Rice Derek B. , McCubbin Stepanic Olivia , Lipscomb John D. , DeBeer Serena 
Published: August 2022

AbstractSoluble methane monooxygenase (sMMO) facilitates the conversion of methane to methanol at a non-heme FeIV2 intermediate MMOHQ, which is formed in the active site of the sMMO hydroxylase component (MMOH) during the catalytic cycle. Other biological systems also employ high-valent FeIV sites in catalysis; however, MMOHQ is unique as Nature’s only identified FeIV2 intermediate. Previous 57Fe Mössbauer spectroscopic studies have shown that MMOHQ employs antiferromagnetic coupling of the two FeIV sites to yield a diamagnetic cluster. Unfortunately, this lack of net spin prevents the determination of the local spin state (Sloc) of each of the irons by most spectroscopic techniques. Here, we use Fe Kβ X-ray emission spectroscopy (XES) to characterize the local spin states of the key intermediates of the sMMO catalytic cycle, including MMOHQ trapped by rapid-freeze-quench techniques. A pure XES spectrum of MMOHQ is obtained by subtraction of the contributions from other reaction cycle intermediates with the aid of Mössbauer quantification. Comparisons of the MMOHQ spectrum with those of known Sloc = 1 and Sloc = 2 FeIV sites in chemical and biological models reveal that MMOHQ possesses Sloc = 2 iron sites. This experimental determination of the local spin state will help guide future computational and mechanistic studies of sMMO catalysis.
Graphical abstract
Non-covalent interactions from a Quantum Chemical Topology perspective
Authors: Popelier Paul L. A. 
Published: August 2022

AbstractAbout half a century after its little-known beginnings, the quantum topological approach called QTAIM has grown into a widespread, but still not mainstream, methodology of interpretational quantum chemistry. Although often confused in textbooks with yet another population analysis, be it perhaps an elegant but somewhat esoteric one, QTAIM has been enriched with about a dozen other research areas sharing its main mathematical language, such as Interacting Quantum Atoms (IQA) or Electron Localisation Function (ELF), to form an overarching approach called Quantum Chemical Topology (QCT). Instead of reviewing the latter’s role in understanding non-covalent interactions, we propose a number of ideas emerging from the full consequences of the space-filling nature of topological atoms, and discuss how they (will) impact on interatomic interactions, including non-covalent ones. The architecture of a force field called FFLUX, which is based on these ideas, is outlined. A new method called Relative Energy Gradient (REG) is put forward, which is able, by computation, to detect which fragments of a given molecular assembly govern the energetic behaviour of this whole assembly. This method can offer insight into the typical balance of competing atomic energies both in covalent and non-covalent case studies. A brief discussion on so-called bond critical points is given, highlighting concerns about their meaning, mainly in the arena of non-covalent interactions.
Balancing stand productivity and wood quality in chestnut coppices using chronosequence approach and productivity model
Authors: Marziliano Pasquale A. , Tognetti Roberto , Mercuri Michele , Labate Antonino , Lombardi Fabio 
Published: August 2022

AbstractTrade-offs between high stand productivity and good wood quality exist for chestnut coppices and related wood-based products. The main objective of this study was to determine the most suitable duration (in years) of cutting cycles that maximizes stand productivity and preserve wood quality of chestnut coppices in a Mediterranean setting. To this aim, a stand-level growth model was developed to verify if wood quality of chestnut coppices at different stand ages varies when the rotation period is modified. Wood quality and stand productivity were analysed, using a chronosequence approach, in coppice stands in Southern Italy characterized by four cutting cycles (15, 25, 30, and 50 years). Results implied that the culmination of the mean annual increment occurs at 28 years, while the current annual increment culminates 10 years earlier. The MOEd values revealed a negative correlation with shoot age; however, a cutting cycle between 25 and 30 years might represent the best compromise for balancing stand productivity and wood quality. Results are discussed in the context of adaptive forest management.
Online risk-averse submodular maximization
Authors: Soma Tasuku , Yoshida Yuichi 
Published: August 2022

AbstractWe present a polynomial-time online algorithm for maximizing the conditional value at risk (CVaR) of a monotone stochastic submodular function. GivenTi.i.d. samples from an underlying distribution arriving online, our algorithm produces a sequence of solutions that converges to a ($$1-1/e$$1-1/e)-approximate solution with a convergence rate of$$O(T^{-1/4})$$O(T-1/4)for monotone continuous DR-submodular functions. Compared with previous offline algorithms, which require$$\Omega (T)$$Ω(T)space, our online algorithm only requires$$O(\sqrt{T})$$O(T)space. We extend our online algorithm to portfolio optimization for monotone submodular set functions under a matroid constraint. Experiments conducted on real-world datasets demonstrate that our algorithm can rapidly achieve CVaRs that are comparable to those obtained by existing offline algorithms.
Responsible innovation in emerging markets’ SMEs: The role of alliance learning and absorptive capacity
Authors: Zahoor Nadia , Khan Huda , Khan Zaheer , Akhtar Pervaiz 
Published: August 2022

Abstract
This paper presents an examination of the role played by alliance learning in enabling emerging market small and medium-sized enterprises (SMEs) to develop responsible innovation. SMEs based in emerging markets face significant challenges due to their weak resource base and the limited support they receive from formal institutions. In such a context, we argued that alliance learning takes a more prominent role in enabling these firms to develop responsible innovation via their absorptive capacity and sense-making competency. Drawn from 176 survey responses from SMEs originating from Pakistan, our findings shed light on the vital role played by alliance learning in enhancing SMEs’ responsible innovation. Specifically, the findings indicate that absorptive capacity acts as an important mechanism between alliance learning and responsible innovation. In addition, sense-making competency emerges as an important boundary condition and as a vital dynamic capability under which the effects of alliance learning on responsible innovation are stronger through the mediating mechanisms of absorptive capacity. These moderating-mediating findings contribute to the literature on dynamic capabilities and responsible innovation and provide important insights into the mechanisms and boundary conditions of responsible innovation in the context of emerging Asian markets.
DNA Methylation Analysis of Imprinted Genes in the Cortex and Hippocampus of Cross-Fostered Mice Selectively Bred for Increased Voluntary Wheel-Running
Authors: Latchney Sarah E. , Cadney Marcell D. , Hopkins Austin , Garland Theodore 
Published: August 2022

AbstractWe have previously shown that high runner (HR) mice (from a line genetically selected for increased wheel-running behavior) have distinct, genetically based, neurobiological phenotypes as compared with non-selected control (C) mice. However, developmental programming effects during early life, including maternal care and parent-of-origin-dependent expression of imprinted genes, can also contribute to variation in physical activity. Here, we used cross-fostering to address two questions. First, do HR mice have altered DNA methylation profiles of imprinted genes in the brain compared to C mice? Second, does maternal upbringing further modify the DNA methylation status of these imprinted genes? To address these questions, we cross-fostered all offspring at birth to create four experimental groups: C pups to other C dams, HR pups to other HR dams, C pups to HR dams, and HR pups to C dams. Bisulfite sequencing of 16 imprinted genes in the cortex and hippocampus revealed that the HR line had altered DNA methylation patterns of the paternally imprinted genes,Rasgrf1andZdbf2, as compared with the C line. Both fostering between the HR and C lines and sex modified the DNA methylation profiles for the paternally expressed genesMest,Peg3, Igf2, Snrpn,andImpact.Ig-DMR, a gene with multiple paternal and maternal imprinted clusters, was also affected by maternal upbringing and sex.Our results suggest that differential methylation patterns of imprinted genes in the brain could contribute to evolutionary increases in wheel-running behavior and are also dependent on maternal upbringing and sex.
Minimum cost b-matching problems with neighborhoods
Authors: Espejo I. , Páez R. , Puerto J. , Rodríguez-Chía A. M. 
Published: August 2022

AbstractIn this paper, we deal with minimum cost b-matching problems on graphs where the nodes are assumed to belong to non-necessarily convex regions called neighborhoods, and the costs are given by the distances between points of the neighborhoods. The goal in the proposed problems is twofold: (i) finding a b-matching in the graph and (ii) determining a point in each neighborhood to be the connection point among the edges defining the b-matching. Different variants of the minimum cost b-matching problem are considered depending on the criteria to match neighborhoods: perfect, maximum cardinality, maximal and the a–b-matching problems. The theoretical complexity of solving each one of these problems is analyzed. Different mixed integer non-linear programming formulations are proposed for each one of the considered problems and then reformulated as Second Order Cone formulations. An extensive computational experience shows the efficiency of the proposed formulations to solve the problems under study.
“In Police We Trust?”—Confidence in the Police Among Adolescents With and Without a Migration Background in Germany
Authors: Krieg Yvonne , Lehmann Lena , Dreißigacker Leonie , Kliem Sören 
Published: August 2022

AbstractOverall, adolescents exhibit a high level of confidence in the police. Nevertheless, it is problematic when certain social groups show lower levels of confidence in the police as this can affect police legitimacy. Based on a representative survey of ninth-grade students in Lower Saxony (N = 12,444), conducted in 2019, the current study examines confidence in the police among adolescents with and without a migration background. As well as an examination of the correlation, the study analyses whether the lower rate of confidence in the police among adolescents with a migration background can potentially be explained by them being exposed to a greater share and burden of influencing factors which impact confidence in the police (e.g. police contact, involvement with delinquent peers and neighbourhood characteristics). It is shown that adolescents with a migration background exhibit lower levels of confidence in the police than adolescents without a migration background. Although the correlation decreases upon the inclusion of other factors that influence confidence in the police, this relationship cannot be fully explained by the fact that young people with a migration background are also more burdened by the other determinants. However, the strongest correlations with confidence in the police are found for affinity for violence, friendship with delinquent individuals, police contact, property offenders, fear of crime and incivilities.
Higher education at the margins – success criteria for blended learning systems for marginalized communities
Authors: Mayr Anna , Oppl Stefan 
Published: August 2022

AbstractProviding access to higher education for people in marginalized communities, in particular for refugees, requires to re-think the traditional ways of teaching and learning in higher education institutions. The challenges of these circumstances both in terms of access to learning materials and the opportunity to collaboratively learn with others require specific support via appropriate didactical settings. Blended learning arrangements, i.e., settings that bring together online learning activities with synchronous, co-located settings show potential for addressing these requirements. In the present study, we examine the success factors in the design of blended learning settings for supporting higher education in marginalized communities. Based on an established model of blended learning success, we explore the specific challenges of the target group via a survey which was distributed to students of different subject areas and of the higher education programs of Jesuit Worldwide Learning. The 80 survey participants analyzed in this paper live in refugee camps, or marginalized areas located in rural and remote areas in Afghanistan, Guyana, India, Iraq, Kenya, Malawi, Myanmar, Philippines, Sri Lanka and Thailand. While we could confirm the success factors that also apply for blended learning scenarios in traditional settings, we also found evidence for the crucial role of facilitation in both, online and co-located learning phases, and challenges regarding the access to suitable infrastructure. Both need to be considered during design of blended learning programs for this target group.
Stay or flee? Hit-and-run accidents, darkness and probability of punishment
Authors: Castriota Stefano , Tonin Mirco 
Published: August 2022

AbstractEmpirical studies on the economic theory of crime have extensively analyzed the importance of the probability of punishment with regard to premeditated criminal activities. Unplanned crimes also occur, however, and this paper will focus on a very serious and widespread example: the hit-and-run road accident. Using police records for every road accident with injuries or mortalities that took place in Italy in the period 1996–2016, we rely on changes in daylight, both when switching between daylight saving time and winter time and across seasons, as an exogenous source of variation affecting the probability of apprehension and find that the likelihood of hit-and-run conditional on an accident taking place increases by around 20% with darkness. Our results suggest that policies increasing the likelihood of apprehension could be effective in reducing hit-and-run.
Flexible Acceptance Condition of Generics from a Probabilistic Viewpoint: Towards Formalization of the Semantics of Generics
Authors: Ryu Soo Hyun , Yang Wonsuk , Park Jong C. 
Published: August 2022

AbstractFormalization of the semantics of generics has been considered extremely challenging for their inherent vagueness and context-dependence that hinder a single fixed truth condition. The present study suggests a way to formalize the semantics of generics by constructing flexible acceptance conditions with comparative probabilities. Findings from our in-depth psycholinguistic experiment show that two comparative probabilities—cue validity and prevalence—indeed construct the flexible acceptance conditions for generics in a systematic manner that can be applied to a diverse types of generics: Acceptability of IS_A relational generics is mostly determined by prevalence without interaction with cue validity; feature-describing generics are endorsed acceptable with high cue validity, albeit mediated by prevalence; and acceptability of feature-describing generics with low cue validity is mostly determined by prevalence irrespective of cue validity. Such systematic patterns indicate a great potential for the formalization of the semantics of generics.
Peri-urban growth into natural hazard-prone areas: mapping exposure transformation of the built environment in Nairobi and Nyeri, Kenya, from 1948 to today
Authors: Fekete Alexander 
Published: August 2022

AbstractKenya experiences massive urban growth, also into natural hazard-prone areas, exposing settlements and the natural environment to riverine and pluvial floods and other natural hazards. While Nairobi as the capital and principal city has been extensively analysed regarding urban growth and flood hazard in some central parts, awareness of growing peri-urban areas has not been studied as much. The results are of interest to other locations in Kenya and worldwide, too, since the current research and disaster risk practice focus is still too much on megacities and city centres. Therefore, the study compares urban growth into hazard areas in urban rims of Nairobi and Nyeri, Kenya. A change assessment from 1948 to 2020 is conducted by aerial images, declassified satellite images, and recent data. Urban growth rates are 10- to 26-fold, while growth into flood exposed areas ranges from 2- to 100-fold. This study reveals unused opportunities for expanding existing land-use change analysis back to the 1940s in data-scarce environments.
Equiprobable symbolization pattern entropy for time series complexity measurement
Authors: Wang Fuyi , Zhang Leo Yu 
Published: August 2022

AbstractIn order to effectively mine the structural features in time series and simplify the complexity of time series analysis, equiprobable symbolization pattern entropy (EPSPE) is proposed in this paper. The original time series are implemented through symbolic processing according to an equal probability distribution. Then, the sliding window technique is used to obtain a finite number of different symbolic patterns, and the pattern pairs are determined by calculating the conversion between the symbolic patterns. Next, the conversion frequency between symbolized patterns is counted to calculate the probability of the pattern pairs, thus estimating the complexity measurement of complex signals. Finally, we conduct extensive experiments based on the Logistic system under different parameters and the natural wind field. The experimental results show our EPSPE of the Logistic system increases from 5 to 7.5 as the parameters increase, which makes the distinction of periodic and complex time series with varying degrees intuitive. Meanwhile, it can more concisely reflect the structural characteristics and interrelationships between time series from the natural wind field (8.8–10 for outdoor and 7.8–8.3 for indoor). In contrast, the results of several state-of-the-art schemes are irregular and cannot distinguish the complexity of periodic time series as well as accurately predict the spatial deployment relationship of nine 2D ultrasonic anemometers.
Knowledge, individualised evidence and luck
Authors: Mortini Dario 
Published: August 2022

AbstractThe notion of individualised evidence holds the key to solve the puzzle of statistical evidence, but there’s still no consensus on how exactly to define it. To make progress on the problem, epistemologists have proposed various accounts of individualised evidence in terms of causal or modal anti-luck conditions on knowledge like appropriate causation (Thomson 1986), sensitivity (Enoch et al. 2012) and safety (Pritchard 2018). In this paper, I show that each of these fails as satisfactory anti-luck condition, and that such failure lends abductive support to the following conclusion: once the familiar anti-luck intuition on knowledge is extended to individualised evidence, no single causal or modal anti-luck condition on knowledge can succeed as the right anti-luck condition on individualised evidence. This conclusion casts serious doubts on the fruitfulness of the move from anti-luck conditions on knowledge to anti-luck conditions on individualised evidence. I expand on these doubts and point out further aspects where epistemology and the law come apart: epistemic anti- luck conditions on knowledge do not adequately characterise the legal notion of individualised evidence.
An epistemic network analysis of patient decision-making regarding choice of therapy
Authors: Zörgő S. , Peters G J Y. , Csajbók-Veres K. , Geröly A. , Jeney A. , Ruis A R. 
Published: August 2022

AbstractPatient decision-making concerning therapy choice has been thoroughly investigated in the Push/Pull framework: factors pushing the patient away from biomedicine and those pulling them towards Complementary and Alternative Medicine (CAM). Others have examined lay etiology as a potential factor in CAM use. We conducted semi-structured interviews with patients employing only biomedicine and those using CAM. The coded and segmented data was quantified and modelled using epistemic network analysis (ENA) to explore what effects push/pull factors and etiology had on the decision-making processes.There was a marked difference between our two subsamples concerning push factors: although both groups exhibited similar scaled relative code frequencies, the CAM network models were more interconnected, indicating that CAM users expressed dissatisfaction with a wider array of phenomena. Among pull factors, a preference for natural therapies accounted for differences between groups but did not retain a strong connection to rejecting conventional treatments. Etiology, particularly adherence to vitalism, was also a critical factor in both choice of therapy and rejection of biomedical treatments. Push factors had a crucial influence on decision-making, not as individual entities, but as a constellation of experienced phenomena. Belief in vitalism affects the patient’s explanatory model of illness, changing the interpretation of other etiological factors and illness itself. Scrutinizing individual push/pull factors or etiology does not explain therapeutic choices; it is from their interplay that decisions arise. Our unified, qualitative-andquantitative methodological approach offers novel insight into decision-making by displaying connections among codes within patient narratives.
Production of microalgal-based carbon encapsulated iron nanoparticles (ME-nFe) to remove heavy metals in wastewater
Authors: Mantovani Marco , Collina Elena , Lasagni Marina , Marazzi Francesca , Mezzanotte Valeria 
Published: August 2022

AbstractThe integration of microalgae-bacteria consortia within existing wastewater treatment plants as alternative biological treatment could be an interesting option to improve the sustainability of these facilities. However, the fate of the produced biomass is decisive to make that option economically attractive. The present study aimed to valorize the microalgae grown at a pilot scale and used for the treatment of the centrate from municipal sewage sludge, producing microalgal-based iron nanoparticles (ME-nFe), by hydrothermal carbonization. The final product had high carbon content, strong sorbent power, and reducing properties, due to the presence of zerovalent iron. Different synthesis conditions were tested, comparing iron (III) nitrate nonahydrate (Fe (NO3)3·9H2O) and ammonium iron (III) sulfate dodecahydrate (NH4 Fe (SO4)2·12 H2O) as iron sources, four different Fe/C molar ratios (0.02, 0.05, 0.1, 0.2), and three process temperatures (180, 200, 225 °C). Based on the characterization of all the prototypes, the best one (having a specific area of 110 m2g−1) was chosen and tested for the removal of selected heavy metals by Jar tests. The removal of copper, zinc, cadmium, and nickel from the treated effluent from the wastewater treatment plant was 99.6%, 97.8%, 96.4%, and 80.3%, respectively, also for very low starting concentrations (1 mg L−1). The removal of total chromium, on the contrary, was only 12.4%. Thanks to the magnetic properties, the same batch of ME-nFe was recovered and used effectively for three consecutive Jar tests.