bluuebunny/crossref_metadata_2025_split huggingface dataset:
PnictogenIII Dications Supported by BZIMPY Ligands
Authors: Land Michael A. , Howlett William P. , Swidan Ala'aeddeen , Varga Ksenia , Robertson Katherine N. , Macdonald Charles L. B. 
Published: October 2024

AbstractTwo homologous series of pnictogen(III) dications, stabilized by 2,6‐bis(benzimidazole‐2‐yl)pyridine ligands have been prepared. Both series contain PnIII‐X moieties (Pn = P, As, Sb, Bi; X = Cl or Ph) and have been fully characterized using spectroscopic methods including X‐ray crystallography. The Lewis acidity of these compounds has also been probed by computational methods; the results suggest that the dictations are strong Lewis acids, with the PnCl2+ compounds being more acidic than the PnPh2+ compounds, and with Lewis acidity increasing from P to Bi, in both series. The PhP2+‐containing compound was also found to be a versatile PIII transfer reagent, leading to new synthetic routes for various PhP‐containing compounds. The redox chemistry of all compounds has also been probed using cyclic voltammetry and chemical reductions. In some cases the resulting PnI moieties could be trapped using diazabutadienes.
Modelling and optimization of amoxicillin degradation over ZnO and glucose oxidase modified TiO2 nanowire
Authors: Sohrabi Somayeh , Keshavarz Moraveji Mostafa 
Published: October 2024

AbstractRecently, antibiotics posing threats to health and the environment have been highlighted. According to previous reports, amoxicillin is the most hazardous antibiotic in Tehran. In order to overcome the risks associated with the storage and contamination of oxidizing agents, a Janus structure of Ti/TiO2/FA/GOx/ZnO is introduced for in situ steady generation and consumption of H2O2. The most efficient nanowire structure of TiO2 is achieved at 140°C and 4.5 h. The footprints of GOx as the bioactive site to produce H2O2 and ZnO as the photoactive site to dope TiO2 have been proved by Raman, Fourier transform infrared (FTIR), X‐ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) analyses. For the first time, a Minimum Run Resolution V screening has been implemented for seven factors in an amoxicillin degradation process by the so‐called bio‐photo‐catalyst. According to analysis of variance (ANOVA), the significance of the three most important variables is as follows: amoxicillin concentration (C) > the area covered by TiO2 nanowires (E) > ZnO/GOx (F) ratio. The significance of the model over the 95% confidence interval is confirmed by R2 of 0.9970, F‐value of 108.10.
Association Between Family Income, Subclinical Myocardial Injury, and Cardiovascular Mortality in the General Population
Authors: Chebrolu Sneha , Kazibwe Richard , Soliman Elsayed Z. 
Published: October 2024

ABSTRACTIntroductionBoth low family income and subclinical myocardial injury (SCMI) are risk factors for cardiovascular disease (CVD) mortality. However, the impact of their joint association on CVD mortality is unclear.MethodsThis analysis from the third National Health and Nutrition Examination Survey included 6805 participants (age 59.1 ± 13.4 years, 52.3% women, and 49.8% White) free of CVD at baseline. Family income was assessed using the poverty‐income ratio (PIR) and categorized into low (PIR < 1), middle (PIR = 1–4), and high (PIR > 4) income. A validated ECG‐based cardiac infarction injury score (CIIS) ≥ 10 was considered positive for SCMI. CVD mortality was determined using the National Death Index. Cox‐proportional hazard analysis was used to evaluate the associations of family income and SCMI, separately and jointly, with CVD mortality.ResultsA total of 1782 (26.2%) participants had SCMI at baseline. During a median follow‐up of 18.2 years, 856 (12.6%) events of CVD mortality occurred. In separate multivariable Cox models, SCMI (vs. no SCMI) and middle‐ and low‐income (vs. high‐income) were each associated with a higher risk of CVD mortality (HR [95% CI]: 1.34 [1.16–1.54], 1.44 [1.16–1.78], and 1.59 [1.22–2.07], respectively). Compared to high‐income participants without SCMI, those with low‐income and SCMI had an increased risk of CVD mortality (HR [95% CI]: 2.17 [1.53–3.08]). The multiplicative interaction between PIR and SCMI was not significant (p = 0.054).ConclusionLower family income and SCMI are associated with CVD mortality, and their concomitant presence is associated with the highest risk. Family income and SCMI may help in the individualized assessment of CVD risk.
WSC: A Crowd‐Powered Framework for Mapping Decomposable Complex‐Task With Worker‐Set
Authors: Kumar Suneel , Pandey Sarvesh 
Published: October 2024

ABSTRACTThe crowdsourcing platform serves as an intermediary managing the interaction between a requester who posts a decomposable task and a pool of workers who bid to solve it. Each worker intending to take up the task (partially or fully) decomposes it into multiple independent subtasks and submits it to the platform. Selection of a diverse set of workers (based on the bids received) to solve the decomposable task is challenging as it requires balancing factors like cost and quality while encouraging collaboration. We propose a Worker Set Computation (WSC) methodology to address these challenges by selecting a custom set of potential workers who can collaboratively complete the task with the optimal cost, in an efficient way. The aging technique is employed to dynamically update the weight of each worker, giving more weightage to the feedback received in the recent past. This, in turn, not only favors those workers who were rated well in the immediate past but also ensures that one odd feedback does not influence the overall rating heavily. We compare the performance of the proposed method against the state‐of‐the‐art methods, considering the computational (and budget) requirements, as well as the aging‐based worker rating.
Post‐Synthetic Modification of a MOF via Continuous Flow Methods for Gold E‐Waste Recycling
Authors: Roth Jocelyn , Trukhina Olga , Allouss Dalia , Stoian Dragos , Schertenleib Till , Felder Timo , Queen Wendy L. 
Published: October 2024

AbstractThis work represents a pioneering effort in utilizing continuous flow methods for the post‐synthetic modification of a nanoporous metal‐organic framework (Fe‐BTC or MIL‐100(Fe)) with short‐chain redox‐active oligomers (poly‐p‐phenylenediamine, PpPDA). The Fe‐BTC/PpPDA composite has been previously demonstrated to rapidly and selectively extract gold from complex liquids. Thus, in the present study, Fe‐BTC/PpPDA was synthesized on a 250 g scale and tested in eight industrially relevant solutions used for leaching metals from electronic waste. These leachates (e. g., cyanide, thiourea, and aqua regia) exhibited varying effectiveness, pH, and gold speciation, which led to significant differences in the composite′s performance during gold extraction. Notably, Fe‐BTC/PpPDA performed best in leaching solutions containing [AuCl4]− species. Subsequently, Fe‐BTC/PpPDA was structured into spherical beads using a novel microdroplet technique in continuous flow. These structured adsorbents were then placed in a column and assessed for gold recovery from real e‐waste solutions containing [AuCl4]− species. The composite reached a capacity of ~600 mg of gold per gram before breakthrough and a capacity of ~900 mg of gold per gram at a gold recovery rate of ~60 %. The selectivity of the composite was calculated to be 972, 262, and 193 for Au/Ni, Au/Co, and Au/Fe, respectively. Also, in situ X‐ray absorption near edge spectroscopy (XANES) was employed to monitor the gold oxidation state, providing the first evidence of gold reduction occurring on a timescale relevant to flow‐through experiments. It was confirmed that the redox‐active oligomers facilitate the reduction of Au3+ to metallic Au during extraction, enhancing the composite′s capacity and selectivity. Additionally, Fe‐BTC/PpPDA outperformed several commercial resins commonly used in gold recovery. Considering the scalability of the composite and its outstanding performance in realistic solutions, this work suggests a promising future for MOF/polymer composites in selective metal recovery from waste streams. Furthermore, the continuous flow methods used for post‐synthetic modification of the MOF may pave the way for more scalable production in the future.
Modulation of fatty acid profiles and turnover dynamics in jellyfish polyps through copepod diets: Insights into trophic interactions and nutrient flux
Authors: Chi Xupeng , Zhang Fang , Sun Song 
Published: October 2024

AbstractFatty acids (FAs) are vital biomolecules crucial for determining food quality for higher trophic levels. To investigate FA transfer and turnover time in predators, we conducted a diet switch experiment using jellyfish polyps. These polyps were fed food sources including Artemia sinica nauplii and FA‐manipulated copepod Pseudodiaptomus annandalei, maintained on distinct algal diets with varied FA compositions. Our findings reveal that copepods may have a strong potential to synthesize long‐chain polyunsaturated FA to maintain biochemical homeostasis when consuming low‐quality food. Consequently, the species‐specific fatty acid composition within plankton, combined with effects of seasonal environmental fluctuations and climate change, leads to changes in the FA composition of foundational food web components. These alterations create a complex “nutrient black box” effect as they propagate up trophic levels. Our study shows that jellyfish polyps fail to accumulate EPA and DHA but display high levels of ARA compared to their zooplankton and phytoplankton food sources, suggesting a potential association with dietary EPA and DHA through an unidentified pathway. Certain FA components indicate variations in the turnover time when polyps undergo a dietary shift. Understanding the trajectory of FA metabolism across the “phytoplankton–zooplankton” interface, along with its turnover time, provides crucial insights for modeling diet estimation of components within food webs.
Drivers of Wolf Activity in a Human‐Dominated Landscape and Its Individual Variability Toward Anthropogenic Disturbance
Authors: Ferreiro‐Arias Iago , García Emilio José , Palacios Vicente , Sazatornil Víctor , Rodríguez Alejandro , López‐Bao José Vicente , Llaneza Luis 
Published: October 2024

ABSTRACTWolves (Canis lupus) exhibit contrasted activity patterns along their distribution range. The shift from diurnal to nocturnal habits within and among populations appears to be primarily driven by localized levels of human activity, with ambivalent responses toward such disturbance reported among populations. Yet, the drivers and the underlying individual variability of temporal avoidance patterns toward human remains unexplored. We equipped 26 wolves with GPS–GSM collars, obtaining 54,721 locations. We used step lengths, turning angles, and accelerometer data from recorded locations to infer activity through hidden Markov models (Conners, M. G., T. Michelot, E. I. Heywood, et al. 2021. “Hidden Markov Models Identify Major Movement Modes in Accelerometer and Magnetometer Data From Four Albatross Species.” Movement Ecology 9, no. 1: 1–16.). We further explored the probability of activity as a function of a set of proxies of anthropogenic disturbance at different spatial scales and its interaction with different periods of the day by fitting population‐level and individual‐based hidden Markov models. Wolves were predominantly active during dusk and night, yet variations in activity emerged among individuals across day periods. We did not find clear population‐level effects of anthropogenic disturbance predictors, as these were masked by a wide range of individual‐specific responses, which varied from positive to negative, with inter‐individual variability in responses changing according to different predictors and periods of the day. Our results suggest a non‐uniform strategy of wolves in adapting their behavior to human‐dominated environments, further underscoring the role of vegetation patches acting as functional refuge cover for buffering the effects of anthropogenic disturbance and boosting the persistence of the species in human‐dominated landscapes. This study, for the first time, reveals the individual variability in wolf responses to human disturbance. By fitting hidden Markov models to data from GPS–GSM collars deployed on 26 wolves, we found significant variation between individuals in their responses to different levels of anthropogenic pressure and across different times of day, highlighting a non‐uniform strategy for coping with perturbations in human‐dominated landscapes. Our findings underscore the diverse behavioral adjustments employed by wolves to persist in these environments and highlight the critical importance of vegetation patches serving as refuge cover.
Early Life History Divergence Mediates Elevational Adaptation in a Perennial Alpine Plant
Authors: Pålsson Aksel , Walther Ursina , Fior Simone , Widmer Alex 
Published: October 2024

ABSTRACTSpatially divergent natural selection can drive adaptation to contrasting environments and thus the evolution of ecotypes. In perennial plants, selection shapes life history traits by acting on subsequent life stages, each contributing to fitness. While evidence of adaptation in perennial plants is common, the expression of life history traits is rarely characterized, limiting our understanding of their role in adaptive evolution. We conducted a multi‐year reciprocal transplant experiment with seedlings from low and high elevation populations of the alpine carnation Dianthus carthusianorum to test for adaptation linked to contrasting climates and inferred specific contributions of early life stages to fitness. We assessed genotype by environment interactions in single fitness components, applied matrix population models to achieve an integrated estimate of fitness through population growth rates, and performed trade‐off analyses to investigate the advantage of alternate life history traits across environments. We found evidence of genotype by environment interactions consistent with elevational adaptation at multiple stages of the early life cycle. Estimates of population growth rates corroborated a strong advantage of the local genotype. Early reproduction and survival are alternate major contributors to adaptation at low and high elevation, respectively, and are linked by trade‐offs that underlie the evolution of divergent life history traits across environments. While these traits have a strong genetic basis, foreign populations express co‐gradient plasticity, reflecting the adaptive strategy of the local populations. Our study reveals that selection associated to climate has driven the evolution of divergent life histories and the formation of elevational ecotypes. While the high energy environment and strong competition favor investment in early reproduction at low elevation, limiting resources favor a more conservative strategy relying on self‐maintenance at high elevation. The co‐gradient plasticity expressed by high‐elevation populations may facilitate their persistence under warming climatic conditions.
Large, but Dispersal‐Limited Populations of the Marsh Fritillary Euphydryas aurinia Persist on Abandoned Military Training Areas Three Decades After the End of the Cold War
Authors: Schröer Cindy , Singer David , Kamp Johannes 
Published: October 2024

ABSTRACTMilitary training areas can host important biodiversity, due to the preservation of diverse, nutrient‐poor historical cultural landscapes and an insect‐friendly disturbance regime. In Europe, many training areas were abandoned after the end of the cold war in 1991 and the withdrawal of the Allied and Soviet forces. Many of these are now protected areas, and current management strategies vary from rewilding to active habitat management such as grazing or mowing. In a capture–release–recapture approach, marking 2418 individuals, we assessed the population size and movement patterns of the dry ecotype of the Marsh Fritillary Euphydryas aurinia Rottemburg 1775 on three former military training areas in Germany that varied in size and management (natural succession, mowing, and sheep‐/goat grazing). Euphydryas aurinia is a rare and declining butterfly species listed in Annex II of the European Union Habitats Directive. Jolly–Seber models revealed a large population of ca. 19,000 individuals on the largest study site and a smaller population at a second site, whereas recapture rates were too low to predict the population size reliably at a third site. Population densities were 190–194 butterflies ha−1 at the unmanaged, large site and 56–71 butterflies ha−1 at a smaller site grazed with sheep. Thirty‐nine percent of the recapture events occurred within the same 1‐ha‐study plot. The average minimum flight distance between the study plots was 313 m for males and 328 m for females. The maximum lifetime flight distance was 1237 m within 3 days. No dispersal was detected between study sites. Thirty years after cessation of the military use, the large former training site still held what likely is one of the largest populations of the species dry ecotype in Central Europe, including in areas where management ceased already in 1991. This suggests remarkable persistence of the species in areas without regular management, contrary to current opinion. However, regular flight distances seem not to be sufficient to connect the isolated habitat patches. It remains unknown how long the large population at the abandoned military area will persist without active habitat management. Careful, but active habitat management and restoration of habitat connectivity should thus be considered.
Copper‐Catalyzed Chemoselective Synthesis of Pyrazolo‐Sulfonamide: Impact of Solvent on Nitro‐Pyrazole Reactivity
Authors: Saha Rana , Dutta Swarnendu , Das Arka , Jana Rajarshi , Sonar Krutika , Gupta Sreya , Bhowmik Subhendu 
Published: October 2024

AbstractThis study presents a copper‐catalyzed, solvent‐dependent method for the rapid and efficient synthesis of N‐pyrazolo‐sulfonamides directly from nitro‐pyrazole and sulfonyl hydrazide under microwave conditions. The reaction exhibits notable solvent effects in pyrazole's reactivity. The ionic liquid DBU‐AcOH triggered the reactivity of 4‐nitro‐pyrazole, whereas the reaction in PEG proceeded selectively at the 3‐ & 5‐positions of pyrazole. Key applications of this method include the gram‐scale synthesis of pyrazolo‐sulfonamide, sulfaphenazole analogue and sulfonamide nucleoside.
Sensitivity of seismic fragility curves to multiple parameters using CyberShake simulated ground motions
Authors: Al Jamal Houssam , Azar Sarah , Dabaghi Mayssa 
Published: October 2024

AbstractSeveral alternatives exist to compute seismic fragility curves. This study takes advantage of the large pool of site‐specific CyberShake simulated ground motions (GMs) to investigate the sensitivity of fragility curves to multiple analysis parameters: the analysis method (Multiple Stripe Analysis (MSA), Cloud Analysis (CA), or Incremental Dynamic Analysis), the number and intensity measure distribution of the GMs used, the GM selection method, and the amount of scaling. To this end, the fragility curve of a two‐dimensional steel frame is calculated for every analysis variation at the life safety limit state. By varying one parameter at a time, we can separate the effects of the various parameters from one another. We also assess the effect of the analysis parameters on the mean annual rate of exceedance of life safety. We find that if GMs are selected adequately for each method, different analysis methods can lead to consistent mean annual rates of exceedance despite some differences in their fragility curves. Generally, MSA and the proposed CA that models the increase of response variability with ground motion intensity best match empirical fragility points. The number of GMs affects the results for all analysis methods, while the intensity distribution of GMs affects results differently in different methods. When GMs are required to match earthquake scenario parameters in addition to intensity, more conservative fragility curves are obtained. Finally, fragility curves are sensitive to excessive scaling. This study provides important insights for performance‐based earthquake engineering.
Influence of masonry infills on seismic performance of BRB‐retrofitted low‐ductile RC frames
Authors: Chelapramkandy Rifan , Ghosh Jayadipta , Freddi Fabio 
Published: October 2024

AbstractReinforced concrete (RC) frames with masonry infills represent a prevalent construction typology across the globe, including moderate to high seismic regions. Such structures are often characterized by high seismic vulnerability, and consequently, there is an urgent need for retrofit solutions to effectively improve their seismic performance. Buckling‐restrained braces (BRBs) represent one such solution. They are a type of dissipative device that can be included within the frames of an existing structure to increase its strength, stiffness, and energy dissipation capacity. Although a substantial amount of research has already been performed to understand the effectiveness of BRBs as a retrofit strategy, these studies have often neglected the contribution of masonry infills and the interactions between the infills and the BRBs. While masonry infills are usually overlooked in the analysis and design stage (owing to their brittle nature), past studies indicated that their strength and stiffness may significantly alter the structure's seismic performance, leading to undesirable and unexpected results. This study presents a detailed investigation of the impact of masonry infills on the seismic response and fragility of BRB‐retrofitted RC frames. A three‐story, three‐bay, low‐ductile RC frame has been selected for case study purposes. High‐fidelity finite element models are developed in OpenSees for combinations of infilled and non‐infilled structures—with and without BRBs. Nonlinear static and dynamic analyses are performed to evaluate the seismic response of the different configurations at local and global levels. Successively, cloud analyses are conducted by considering a set of 150 ground motion records to account for the record‐to‐record variability and develop seismic fragility curves. The present study sheds some light on the mutual interaction between the infill panels and BRBs retrofit intervention and highlights the critical aspects that must be considered in the design.
Parallel two‐scale finite element implementation of a system with varying microstructure
Authors: Lakkis Omar , Muntean Adrian , Richardson Omar , Venkataraman Chandrasekhar 
Published: October 2024

AbstractWe propose a two‐scale finite element method designed for heterogeneous microstructures. Our approach exploits domain diffeomorphisms between the microscopic structures to gain computational efficiency. By using a conveniently constructed pullback operator, we are able to model the different microscopic domains as macroscopically dependent deformations of a reference domain. This allows for a relatively simple finite element framework to approximate the underlying system of partial differential equations with a parallel computational structure. We apply this technique to a model problem where we focus on transport in plant tissues. We illustrate the accuracy of the implementation with convergence benchmarks and show satisfactory parallelization speed‐ups. We further highlight the effect of the heterogeneous microscopic structure on the output of the two‐scale systems. Our implementation (publicly available on GitHub) builds on the deal.II FEM library. Application of this technique allows for an increased capacity of microscopic detail in multiscale modeling, while keeping running costs manageable.