bluuebunny/crossref_metadata_2025_split huggingface dataset:
PDOSPERT: A New Scale to Predict Domain‐Specific Risk‐Taking Behaviors in Times of a Pandemic
Authors: Guenther Benno , Galizzi Matteo M. , Sanders Jet G. 
Published: October 2024

ABSTRACTUnderstanding risk tolerance is crucial for predicting and changing behavior across various domains, including health and safety, finance, and ethics. This remains true during a crisis, such as the COVID‐19 pandemic, and leads to a key question: Do current risk measures reliably predict risk‐taking in the drastically different context of a pandemic? The Domain Specific Risk‐Taking (DOSPERT) scale, one of the most widely used risk‐taking measures, assesses self‐reported risk‐taking in response to 30 risky situations across five domains. With the hypothetical risks of the DOSPERT being based on prepandemic circumstances, we estimate that three out of four of its risk‐taking situations were not possible due to preventive measures or did not reflect risk‐taking in times of COVID‐19. In addition, COVID‐19 brought forth new behaviors deemed risky. With an aim to better predict risk‐taking in times of a pandemic, we introduce the Pandemic DOSPERT (PDOSPERT). We summarize three preregistered online studies with 1254 UK participants to validate the scale against the original DOSPERT and three other common risk‐taking measures. We also test its ability to predict pandemic risk‐related behaviors at three points in time over 2 years. Overall, we find that the PDOSPERT scale significantly improves predictions for pandemic‐related risk behavior as compared to the original DOSPERT. In particular, the health/safety subscale is significantly and strongly associated with pandemic‐related risk behavior. We not only validate a pandemic‐specific risk task but also introduce a template for developing context‐ and domain‐sensitive measures for risk‐taking in the future.
Attenuation of p38 MAPK/NF‐κB/TRPV1/CGRP is involved in the antinociceptive effect of hesperidin methyl chalcone and taxifolin in paclitaxel‐induced peripheral neuropathy
Authors: Abd Elaleem Wafaa S. , Ghaiad Heba R. , Abd Elmawla Mai A. , Shaheen Amira A. 
Published: October 2024

AbstractPaclitaxel (PTX)‐induced peripheral neuropathy (PIPN) is a disabling side effect of PTX, which adversely affects the life quality of cancer patients. Flavonoids such as hesperidin methyl chalcone (HMC) and taxifolin (TAX) can alleviate neuropathic pain via their anti‐inflammatory, antioxidant, neuroprotective, and antinociceptive properties. The current study aimed to assess the efficacy of HMC and TAX in preventing PIPN individually or in combination. Pretreatment with HMC and TAX mitigated PTX‐induced mechanical allodynia and hyperalgesia, cold allodynia, and thermal hyperalgesia as well as restore the normal histological architecture. Remarkably, neuropathic pain was relieved by suppression of nerve growth factor (NGF), p38 mitogen‐activated protein kinase (p38 MAPK), and transient receptor potential vanilloid type‐1 (TRPV1), which ultimately lead to reduced calcitonin gene‐related peptide (CGRP). Furthermore, both HMC or TAX enhanced nuclear factor erythroid 2–related factor 2 (Nrf2), leading to elevated glutathione (GSH) and total antioxidant capacity (TAC) along with lowered malondialdehyde (MDA), which in turn, downregulated nuclear factor kappa B P65 (NF‐κB P65) and its phosphorylated form and eventually reduced tumor necrosis factor alpha (TNF‐α) and interleukin‐1 beta (IL‐1β) then lowered the apoptotic indices. Promisingly, the combination of both agents was superior to each drug alone through targeting more diverse signaling pathways and achieving synergistic and comprehensive therapeutic effects. In conclusion, pretreatment with HMC and TAX separately or in combination alleviated PIPN via modulating NGF/p38 MAPK/NF‐κB P65/TRPV1/CGRP pathway.
Alpinia officinarum Hance Essential Oil as Potent Antipseudomonal Agent: Chemical Profile, Antibacterial Activity, and Computational Study
Authors: Belamine Habiba , El Ghallab Yassine , Zahid Bouchra , Kadiri Fatimazahra , Kasrati Ayoub , Ait Haj Said Amal 
Published: October 2024

AbstractAlpinia officinarum Hance, is an aromatic and medicinal herb with a very interesting history and prominent chemical and biological prospects. We aimed to investigate the antibacterial activity of Alpinia officinarum essential oil and the preferred molecular targets of its constituents together with their pharmacokinetic properties and toxicity profile. According to GC‐MS analysis, eucalyptol was the main compound (27.52 %) identified in Alpinia officinarum essential oil, followed by α‐terpineol, and β‐sesquiphellandrene. As opposed to the weak antiradical activity estimated by DPPH and ABTS tests, the essential oil caused inhibition of all the bacteria following well‐diffusion and microdilution methods, especially the gram‐negative Pseudomonas aeruginosa and Escherichia coli. It displayed exceptionally remarkable activity against Pseudomonas aeruginosa by totally inhibiting its growth on the agar plate exceeding the effect of chloramphenicol standard. This bactericidal effect was confirmed by very low MIC and MBC values of 0.82 and 6.562 μg/mL, respectively. The molecular docking showed interesting binding affinity between the major compounds and various drug targets in Pseudomonas aeruginosa, also good pharmacokinetic and toxicity behavior. These encouraging findings are particularly relevant in light of the increasingly pressing challenge to find alternative substances with antibacterial aptitude to address the issue of antibiotic resistance among infectious bacteria.
A Simulation Study of the Effects of Additive, Multiplicative, Correlated, and Uncorrelated Errors on Principal Component Analysis
Authors: Saccenti Edoardo , Timmerman Marieke E. , Camacho José 
Published: October 2024

ABSTRACTMeasurement errors are ubiquitous in all experimental sciences. Depending on the particular experimental platform used to acquire data, different types of errors are introduced, amounting to an admixture of additive and multiplicative error components that can be uncorrelated or correlated. In this paper, we investigate the effect of different types of experimental error on the recovery of the subspace with principal component analysis (PCA) using numerical simulations. Specifically, we assessed how different error characteristics (variance, correlation, and correlation structure), loading structures, and data distributions influence the accuracy to estimate an error‐free (true) subspace from sampled data with PCA. Quality was assessed in terms of the mean squared reconstruction error and the congruence to the error‐free loadings, using the pseudorank and adjusting for rotational ambiguity. Analysis of variance reveals that the error variance, error correlation structure, and their interaction with the loading structure are the factors mostly affecting quality of loading estimation from sampled data. We advocate for the need to characterize and assess the nature of measurement error and the need to adapt formulations of PCA that can explicitly take into account error structures in the model fitting.
Experimental Determination of the Chiral and Achiral Shape Diagrams of Tellurium Nanocrystals
Authors: Vasiliev Daniel , Tirosh Shay , Ben‐Moshe Assaf 
Published: October 2024

ABSTRACTThe interface between chirality and crystallization and mechanisms by which chirality propagates from crystal structure to overall shapes of crystals are a key topic in crystallography and stereochemistry. Recently, nanocrystals attracted attention as useful model systems for this kind of studies. Specifically, tellurium nanocrystals have been used to address questions on relations between chirality of the crystal structure and that of the overall shape. Previous studies of this system did not offer a comprehensive shape diagram and did not survey all the factors that determine whether shapes that form are chiral or not. In the current report, the distribution of chiral and achiral shapes in this system as a function of different physical and chemical parameters is determined experimentally. It is shown that there is a common logic for formation of chiral shapes, that is, growth at conditions that favor the growth of more reactive nuclei. The experiments also reveal more morphologies than previously encountered, suggesting that a systematic change of conditions in nanocrystal growth is key for identifying morphologies that exist only in a narrow range of conditions.
ML‐driven models for predicting CO2 uptake in metal–organic frameworks (MOFs)
Authors: Achour Sofiene , Hosni Zied 
Published: October 2024

AbstractThis study advances the discourse on the application of machine learning (ML) algorithms for the predictive analysis of CO2 uptake in metal–organic frameworks (MOFs), with a nuanced focus on the CATBoost model's capability to navigate the complexities inherent in MOFs' heterogeneous landscape. Building upon and extending the comparative analysis, our investigation underscores the CATBoost model's remarkable prediction robustness, characterized by a significant reduction in root mean square error (RMSE) and an enhanced R‐squared (R2) value, thereby affirming its superior accuracy and reliability in forecasting CO2 adsorption. A pivotal aspect of our research is the integration of SHapley Additive exPlanations (SHAP) values for a detailed assessment of feature importance, which not only corroborated ‘pressure’ and ‘surface area’ as pivotal determinants of CO2 uptake but also illuminated the model's advanced analytical capabilities in handling categorical features and mitigating overfitting, even within a dataset marked by intricate and non‐linear patterns. Our quantitative and conceptual analysis, showcasing up to a 15% improvement in RMSE over previous models, reveals the CATBoost model's unparalleled efficiency in discerning the multifaceted interplay of factors influencing CO2 adsorption. This is crucial for the strategic engineering of MOFs with optimized properties. Beyond ‘pressure’ and ‘surface area’, our SHAP analysis highlighted other descriptors with substantial values, elucidating their contributions to CO2 uptake and providing invaluable insights for the MOF design process.
A novel superposition coding scheme based on polar code for multi‐user detection in underwater acoustic OFDM communication system
Authors: Meiqi Wen , Siyu Xing , Bo Wei , Yanting Yu 
Published: October 2024

SummarySuperposition coding (SC) is a non‐orthogonal multiple access (NOMA) scheme for the downlink communication system, which allows signals of different users to be stacked and forwarded simultaneously in the same frequency band. The codeword for each user is assigned a different weight at the transmitter to avoid signal conflicts and interference after stacking, and successive interference cancellation (SIC) is adopted to decode. A novel SC scheme based on polar code, suitable for the downlink multi‐user underwater acoustic (UWA) communication system using orthogonal frequency division multiplexing (OFDM), is proposed in this paper. Polar code is utilized to create a nested code structure that is divided into several subsets. We exploit this feature of the polar codes and assign each subset to the corresponding user in the channel coding process. The information bits are placed on the independent subset for each user, and the random bits are placed on the subset of other users while all the users share the same set of frozen bits. Then, the codewords are stacked with different weights. The selection range of power factors can be expanded through the double superposition of the coding and the power domains, and higher system throughput and fairness can be achieved. The simulation and tank experiment results significantly verify the effectiveness of the proposed scheme, making it most suitable for the downlink UWA multi‐user communication systems.
A Density Functional Benchmark for Dehydrogenation and Dehalogenation Reactions on Coinage Metal Surfaces
Authors: Chen Lin , Rosen Johanna , Björk Jonas 
Published: October 2024

AbstractThe on‐surface synthesis of low‐dimensional organic nanostructures has been extensively investigated through both experimental and theoretical methods, particularly by density functional theory (DFT). However, the complex mixture of interactions often poses challenges within the DFT framework, and there is a knowledge‐gap regarding how the choice of DFT approach affects the computed results. Here, five different approaches including vdW interactions, i. e., PBE+D3, PBE+vdWsurf, rev‐vdWDF2, r2SCAN+rVV10 and BEEF‐vdW, are employed to describe three prototypical on‐surface reactions; dehydrogenation of benzene, debromination of bromobenzene, and deiodination of iodobenzene on the (111) facets of the coinage metals. Overall, rev‐vdW‐DF2 outperforms the other methods in describing benzene adsorption, whereas BEEF‐vdW falls short. For dehydrogenation and debromination on Cu(111), all functionals except BEEF‐vdW give reasonable activation energies compared to experiments. A similar trend is observed for Ag(111) and Au(111), with BEEF‐vdW yielding significantly higher activation and reaction energies. For dehalogenation, all the five vdW approaches correctly capture the reactivity trend – Cu(111)>Ag(111)>Au(111) – and the expected hierarchy between bromobenzene desorption and carbon‐bromine activation. Only BEEF‐vdW fails to predict the faster kinetics of deiodination than the iodobenzene desorption. Our work forms a basis for evaluating density functionals in describing chemical reactions on surfaces.
The effects of perceived corporate social responsibility and Confucian ethics on psychological meaningfulness and employee engagement: A moderated‐mediation study
Authors: Wei Ying , Lin Chun‐Yu 
Published: October 2024

AbstractThis study aimed to explore whether perceived corporate social responsibility (PCSR) and Confucian values impact employee engagement. Specifically, we investigated the relationships among PCSR, psychological meaningfulness, and employee engagement, as well as the moderating effects of Confucian Ren‐Yi ethics on these relationships by using the social identity theory, Job Demands‐Resources (JD‐R) model and the stimulus‐organism‐response(S‐O‐R) model. A valid survey was conducted among 664 full‐time employees of 228 companies in 72 different cities in China from all walks of life. The findings reveal that PCSR was positively associated with psychological meaningfulness and employee engagement. Confucian Ren‐Yi ethics was positively associated with employee engagement, and psychological meaningfulness mediated the effect of PCSR on employee engagement. Moreover, we found that the positive relationship between PCSR and employee engagement through psychological meaningfulness was stronger for high‐level Confucian Ren‐Yi ethics than for low‐level Confucian Ren‐Yi ethics (i.e., moderated mediation). By verifying the impact of Confucian Ren‐Yi ethics and PCSR on employees' work attitudes, this study makes up for the deficiency of existing literature on CSR and Confucian values and enriches the micro research on CSR. Based on our findings, companies should consider improving employee engagement by implementing social responsibility and aligning their policies with Confucian Ren‐Yi ethics.
Research Progress of High‐entropy Oxides for Electrocatalytic Oxygen Evolution Reaction
Authors: Zhang Xiaozhen , Wang Xuexue , Lv Xiaomeng 
Published: October 2024

AbstractHigh‐entropy oxides (HEOs), similar to high‐entropy materials (HEMs), have “four‐core effects”, i. e., high‐entropy effect, delayed diffusion effect, lattice distortion effect and cocktail effect, which have attracted more and more attention in the scientific field of renewable energy technology due to their unique structural characteristics, variable chemical composition and corresponding functional properties. HEOs have become potential candidates for electrocatalytic oxygen evolution reaction (OER), which is a key half reaction for electrolytic CO2, nitrogen reduction, and water electrolysis. However, the precise synthesis of HEOs with a wide range of components and structures is challenging, not to mention their active and stable operation for OER. In this paper, we review the recent advancements in the electrocatalytic oxygen evolution facilitated by HEOs in water electrolysis. We analyze these developments from the perspectives of activity and stability in acid and alkaline conditions, respectively. Furthermore, we summarize the design from the aspect of element composition, structure, morphology, and catalyst‐support interactions, along with related reaction mechanism of HEOs. Additionally, we discuss the current challenges faced by HEOs in the field of OER and suggest potential directions for the future development of HEOs beyond water electrolysis application.
Surface Ligands for Perovskite Quantum Dots
Authors: Pan Qingyan , Zhao Qian , Wei Pengxiang , Li Guoran 
Published: October 2024

AbstractThe combination of the quantum confinement effect of quantum dots (QDs) and unique photoelectric properties of perovskite semiconductors make perovskite quantum dots (PQDs) a promising candidate for photoelectric devices. To truly unlock their potential, a deep understanding of structure‐property relationship is paramount. Among the various factors influencing this relationship, the role of surface ligands cannot be overstated. The polarity, conductivity, stability, and interaction effects of these ligands with QD surfaces create complicated ligand‐QDs relationships, which greatly influences the successful synthesis of QDs. In essence, the surface chemistry of ligands serves as a critical determinant in shaping the properties of both the resulting QDs and QD‐based devices. To address this, our paper introduces an innovative approach to studying ligands, utilizing their inherent functional groups as a classification criterion. It is begun by discussing the types of surface defects of PQDs and the functional groups used for passivation, emphasizing the importance of analyzing ligands based on their functional groups. Then the passivation mechanisms of ligands with various functional groups and their impact on enhancing QD performance are delved into. Ultimately, this paper summarizes and offers several design principles and rules for PQDs surface ligands that can be applied in most scenarios.
The Relationship Between Racial Attitudes and Disordered Eating Behaviors in Black Men and Black Women
Authors: Yeboah Adwoah B. , Parker Jordan E. , Matos Leezet M. , Wilson Patrick A. , Tomiyama A. Janet 
Published: October 2024

ABSTRACTObjectiveBlack individuals remain underrepresented in disordered eating research, despite evidence that both Black men and women present with disordered eating behaviors. Culturally‐informed theoretical frameworks suggest that these behaviors may be linked to race‐related sociocultural experiences, such as aspects of racial identity. While studies have focused on racial identity commitment, the association between attitudes toward one's racial identity and disordered eating remains underexplored. The present study examines whether positive attitudes toward one's Blackness and Black culture are associated with disordered eating.MethodIn a cross‐sectional online sample of Black men and women (N = 458), we measured self‐reported attitudes toward Blackness (i.e., centrality and private regard) and disordered eating behaviors (i.e., purging, binge eating, excessive exercise, and drive for thinness).ResultsIn pre‐registered linear regression models, private regard was negatively associated with purging and binge eating. Across all models, centrality was not associated with disordered eating. On average, Black women reported greater drive for thinness whereas Black men reported higher excessive exercise scores.DiscussionThis is the first study to demonstrate associations between racial attitudes and disordered eating among Black men and women. Our findings affirm unique correlates of disordered eating among Black people and suggest that positive attitudes toward one's Blackness and Black culture may be a protective factor against the development of disordered eating.
No impact of cyantraniliprole on the hibernation success of bumble bees (Bombus terrestris audax) in a soil‐mediated laboratory exposure study
Authors: Linguadoca Alberto , Morrison Morgan A. , Menaballi Luca , Šima Peter , Brown Mark J. F. 
Published: October 2024

AbstractIncreasing evidence shows that wild bees, including bumble bees, are in decline due to a range of stressors, including pesticides. Our knowledge of pesticide impacts has consequently grown to enable the design of increasingly realistic risk assessment methods. However, one area where knowledge gaps may still hinder our ability to assess the full range of bee‐pesticide interactions is the field of exposure. Exposure has historically been linked to either direct contact with pesticides or the ingestion of contaminated pollen and nectar by bees. However, bumble bees, and other wild bees, may also be exposed to pesticides while using contaminated soil as an overwintering substrate. Yet knowledge of how soil‐mediated exposure affects bumble bee health is lacking. Here we take one of the first steps towards addressing this knowledge gap by designing a method for testing the effects of soil‐mediated pesticide exposure on bumble bee queen hibernation success. We measured hibernation survival, body weight change and abdominal fat content and found that none of these responses were affected by a field realistic soil exposure to the novel insecticide cyantraniliprole. Our study may help in developing a standardised method to test the effects of the soil‐mediated pesticide exposure route in bumble bee queens.
The Effect of the Surrounding Matrix on Spin Transition Nanoparticles: How Shell Characteristics Alter Core Elastic Properties in Core‐Shell Particles
Authors: Cain John M. , He Wanhong , Meisel Mark W. , Talham Daniel R. 
Published: October 2024

AbstractA surrounding matrix is known to alter nanoparticle spin transitions, the solid state structural phase changes associated with transitions between high spin (HS) and low spin(LS) states. To better quantify how the spin transition solid and surrounding matrix interact, several series of core‐shell particles were prepared based on RbxCo[Fe(CN)6]z ⋅ nH2O, RbCoFe‐PBA, as spin transition core with isostructural shells of different compositions and thicknesses. Synchrotron PXRD through the thermal high HS to LS, the LS to photoexcited high spin (PXHS), and thermal PXHS to LS transitions, show the activation energy is lowered as shells become thicker and stiffer. Calorimetry data coupled with transition state theory analysis indicate the core stiffens in the core‐shell particles relative to the uncoated particles. The conclusion is supported by microstrain analysis that shows stiffer shells limit the extent to which the core distorts as individual sites transition, leading to the lower activation energy. Finally, differences in lattice mismatch with different shell materials are shown to alter the mechanism by which the transition progresses.