bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solar‐Active Carbon Nitride Film Integrated by Free Radical Copolymerization for Photocatalytic Indoor Air Purification
Authors: Jourshabani Milad , Razi Asrami Mahdieh , Lee Byeong‐Kyu 
Published: January 2025

AbstractThe current lack of stable, scalable, and efficient coating technology dramatically limits the exploitation of solar‐driven graphitic carbon nitride (CN) photocatalysts. Herein, a unique, efficient, and scalable method is reported to immobilize CN powder on various substrates ranging from Fluorine tin oxide (FTO), glass, Plexiglas, Al foil, Ti foil, and Granite stone, to even wood. The film shows an outstanding thickness of 212 µm, which is the highest value ever reported. The formation process is ascribed to free radical copolymerization between the tri‐s‐triazine backbone and polyacrylamide, followed by cross‐linking. The smooth, non‐oxidizable, and well‐defined continuous coating exhibits excellent adherence and durability. The distinctive sequence segments preserve the light transition within the film while enhancing the optical absorption in the solar spectrum. Under visible light illumination, the film shows outstanding photodegradation performance toward air pollutants, whether for gaseous acetaldehyde (Act) or toluene (Tol). This method is a great step forward that can open new opportunities for the commercial applications of CN powder.
Advances in the Simulations of Enzyme Reactivity in the Dawn of the Artificial Intelligence Age
Authors: Świderek Katarzyna , Bertran Joan , Zinovjev Kirill , Tuñón Iñaki , Moliner Vicent 
Published: January 2025

ABSTRACTThe study of natural enzyme catalytic processes at a molecular level can provide essential information for a rational design of new enzymes, to be applied in more efficient and environmentally friendly industrial processes. The use of computational tools, combined with experimental techniques, is providing outstanding milestones in the last decades. However, apart from the complexity associated with the nature of these large and flexible biomolecular machines, the full enzyme catalyzed process involves different physical and chemical steps. Consequently, from the computational point of view, a deep understanding of every single step requires the selection of a proper computational technique to get reliable, robust and useful results. In this article, we summarize the different computational techniques and their use in the study of every single step of the catalytic process, including conformational diversity, allostery and those to study the chemical steps, as well as in the design of new enzymes. Because of the impact of artificial intelligence in all aspects of science during the last years, special attention has been applied to methods based on these techniques, their foundations and some selected recent applications.
A model-based approach to shot charts estimation in basketball
Authors: Scrucca Luca , Karlis Dimitris 
Published: January 2025

Abstract
Shot charts in basketball analytics provide an indispensable tool for evaluating players’ shooting performance by visually representing the distribution of field goal attempts across different court locations. However, conventional methods often overlook the bounded nature of the basketball court, leading to inaccurate representations, particularly along the boundaries and corners. In this paper, we propose a novel model-based approach to shot charts estimation and visualization that explicitly considers the physical boundaries of the basketball court. By employing Gaussian mixtures for bounded data, our methodology allows to obtain more accurate estimation of shot density distributions for both made and missed shots. Bayes’ rule is then applied to derive estimates for the probability of successful shooting from any given locations, and to identify the regions with the highest expected scores. Additionally, calibration plots are introduced to compare the estimated scoring probabilities with the observed proportions of made shots across different offensive areas, complemented by the normalized calibration error to summarize the overall goodness-of-fit of the model-based estimates. To illustrate the efficacy of our proposal, we apply it to data from the 2022/2023 NBA regular season, showing its usefulness through detailed analyses of shot patterns and calibration performance for two prominent players.
Synthesis and antimicrobial evaluation of a new hybrid bis-cyanoacrylamide-based-piperazine containing sulphamethoxazole moiety against rheumatoid arthritis-associated pathogens
Authors: Soliman Mona M. , Elwahy Ahmed H. M. , Sayed Ahmed M. , Ibrahim Mahmoud , Dawoud Mohamed A. , Ali Shahd Hisham Mohamed , Nady Menna Tallah S. , Hassan Nada A. , Saad Wessam , Abdelhamid Ismail A. 
Published: January 2025

Abstract
Piperazine-based compounds have garnered significant attention due to their notable biological and pharmacological activities, making them essential in fine chemical and pharmaceutical applications. In this study, we managed to synthesize a novel hybrid bis-cyanoacrylamide bearing the piperazine core via phenoxymethyl linker and incorporating sulphamethoxazole moiety. The novel compound was fully characterized using different spectral data including 1H-NMR, 13C-NMR, and FTIR spectroscopy. Piperazine-based compounds were screened for in silico studies to understand the antimicrobial activity against infections that may contribute to rheumatoid arthritis symptoms. The tested piperazine compound was also evaluated for its antimicrobial activity against Aspergillus niger, Candida albicans, Enterococcus faecalis ATCC 29212, Staphylococcus aureus ATCC 29213, Pseudomonas aeuroginosa ATCC 27853, Escherichia coli ATCC 25922, and Klebsiella pneumoniae ATCC 700603. S. aureus showed the highest inhibition, with a zone diameter of 16.0 ± 1.0 mm at a concentration of 0.8 mg/ml. The minimal inhibitory concentration (MIC) for all bacterial species ranged from 5 to 40 mg/ml. In contrast, fungal species were the most resistant to the tested compound. Molecular docking studies were conducted to elucidate the interaction mechanisms, binding energies, and hydrogen bonding interactions within protein–ligand complexes. Molecular docking studies were performed against five bacterial proteins and two fungal proteins, including DNA gyrase subunit B (UniProt ID: Q839Z1), protein RecA of (UniProt ID: P0A7G6), cyclic AMP-AMP-AMP synthase (UniProt ID: P0DTF7), UDP-N-acetylglucosamine 1-carboxyvinyl transferase (UniProt ID: A0A1S5RKE3), and clumping factor A (UniProt ID: Q53653). The tested compound achieved the highest binding score of ∆G =  − 10.9 kcal/mol at the cyclic AMP synthase active site (UniProt ID: P0DTF7), forming 26 interactions. The results demonstrated that the synthesized piperazine compound exhibits promising antibacterial and antifungal activities, highlighting its potential as a candidate for antimicrobial development.
The framing of elections: cooperation vs. competition
Authors: Alós-Ferrer Carlos , Garagnani Michele , García-Segarra Jaume 
Published: January 2025

Abstract
We show that framing an election as a “competition” compared to “cooperation” reduces the chances that egalitarian alternatives will win under Plurality Voting, but not under Approval Voting. Individual voting behavior shows that the effect is mainly driven by voters who switch to their selfishly payoff-maximizing alternatives under a competitive framework, but only when those are also payoff-efficient (in terms of sum of payoffs for the group). This shift does not happen for voters whose payoff-maximizing alternatives are not payoff-efficient, or even if a majority of voters are better off under the payoff-efficient alternative. This suggests that voters are more likely to switch to selfish payoff-maximizing alternatives under a competitive frame if they can (self-)justify the switch in terms of the common good.
Coupling effect of cyclic wet-dry environment and compaction state on desiccation cracking and mechanical behavior of low and high plastic clays
Authors: Shafqat Kamran , Khalid Usama , Rehman Zia ur 
Published: January 2025

Abstract
This study investigates the complex interplay between wetting–drying (W-D) cycles and initial compaction states on desiccation cracking and the mechanical behavior of different clayey soils. Natural CH, CL, and ML soils, distinguished by their chemical composition and plasticity, are subjected to a meticulously designed experimental program. The specimens are remolded at various initial compaction states, including the optimum moisture content (w

opt
) having maximum dry density (γ

dmax
), and wet and dry sides of the compaction curve having identical initial dry density (γ

d0
). Subsequently, they undergo multiple W-D cycles, systematically documented through cinematography. Mechanical response is assessed after different W-D cycles. It is observed that desiccation cracking within both CL and CH initiates after the first W-D cycle, intensifying rapidly after the second cycle and reaching an optimal cracking state after the third cycle. The crack analyses indicate a transition from surface cracking to deeper-seated cracks with an increase in W-D cycles. CH soil, characterized by a 2:1-layered clay mineral with a high propensity for swelling and shrinkage, exhibits elevated desiccation cracking at high w

0
for identical γ

d0
. Notably, CH soil exhibits maximum cracking at the w

opt
and γ

dmax
. In contrast, CL soil, characterized by a 1:1-layered clay mineral, displays an inverse response across all compaction states, and ML soil, characterized by a scarcity of clay mineral, shows insignificant cracks. This disparity in behavior is closely attributed to clay mineralogy and microstructure, which define the underlying mechanism responsible for the generation of internal stresses in the soil structure induced by moisture fluctuations causing desiccation cracking. Stiffness and unconfined compressive strength (q

u
) of CH and CL increase and compressibility decreases as w

0
increases after undergoing W-D cycles due to the volume shrinkage response of specimens. Meanwhile, for a particular compaction state, strength decreases while compressibility increases with increasing W-D cycles.
Irritability as a Transdiagnostic Construct Across Childhood and Adolescence: A Systematic Review and Meta-analysis
Authors: Chin Miriam , Robson Davina A. , Woodbridge Hannah , Hawes David J. 
Published: January 2025

Abstract
This meta-analytic review examined irritability across childhood and adolescence as it relates to symptoms of common mental health disorders in these periods. Of key interest was whether the relationship between irritability and symptom severity varies according to symptom domain. This was tested at the level of broad symptom dimensions (internalizing versus externalizing problems) as well as discrete diagnostic domains (e.g., anxiety, depression, oppositional defiant disorder, conduct disorder, attention deficit hyperactivity disorder; autism spectrum disorder). Following PRISMA guidelines, a systematic search of five databases was conducted to identify studies reporting on associations between irritability and mental health symptoms in samples of children aged 2–18 years. Meta-analytic tests based on random effects models examined concurrent and longitudinal associations between irritability and symptom severity. Meta-regression tested potential moderators including symptom domain, child age, sex, informant type, and study quality. 119 studies met inclusion criteria with a total of 122,456 participants. A significant and positive association was found between irritability and severity of concurrent overall psychopathology in the order of a moderate effect size, while small to moderate effect sizes characterized the association between irritability and later mental health outcomes in prospective data. Further variation in this association was seen across specific diagnostic domains and methodological moderators. Findings support the conceptualization of irritability as a transdiagnostic construct reflecting emotion dysregulation across diverse forms of psychopathology in childhood and adolescence. Further research into the risk mechanisms underlying irritability is needed, in addition to translational approaches to early intervention.
State-of-the-art of sustainability in sports facilities: a systematic review
Authors: Gregori-Faus Cristian , Crespo Josep , Calabuig Ferran , Parra-Camacho David 
Published: January 2025

Abstract
The importance of the sports context for sustainable development has been widely discussed in recent years. However, the contribution of sports facilities to sustainable development remains a topic rarely presented in academic literature. For this reason, this paper aims to synthesize the existing information in the literature related to sustainable development in the context of sports facilities, to this aim, a systematic review was carried out following the Preferred Reporting Items for Systematic reviews and Meta-Analyses (PRISMA) 2020 methodology via the Scopus and Web of Science databases where a total of 28 studies have been identified. Among them, most of them focus on environmental sustainability, also most of the current literature are qualitative studies and mainly focus on the sustainable performance of sports facilities and organizations. Through these results, a total of 16 categories and 49 indicators are established to assess the contribution of sports facilities to sustainable development. In conclusion, this study not also analyzes the state-of-the-art related to sustainability and sports facilities but also provides the basis for analyzing the sustainable performance of sports facilities including the three dimensions of sustainability (environmental, social and economic) according to the triple-bottom-line framework, allowing future assessments of sport facilities contribution to the sustainable development.
Recognizing integrality of weighted rectangles partitions
Authors: Deuker Paul , Friedrich Ulf 
Published: January 2025

Abstract
Given a grid of active and inactive pixels, the weighted rectangles partitioning (WRP) problem is to find a maximum-weight partition of the active pixels into rectangles. WRP is formulated as an integer programming problem and instances with an integral relaxation polyhedron are characterized by a balanced problem matrix. A complete characterization of these balanced instances is proved. In addition, computational results on balancedness recognition and on solving WRP are presented.
Exposure to Crime at Food Stores: Implications for Nutrition and Health among Black Americans
Authors: Singleton Chelsea R. , Gartner Danielle J. , Winata Fikriyah , Rose Donald , Sheehan Karen M. , McLafferty Sara L. 
Published: January 2025

Abstract
Crime is a public health issue that disproportionately affects racially-marginalized populations. Studies have reported that food stores (e.g., grocery stores, convenience stores) often attract crime due to their volume of cash transactions and limited security. Little is known about how exposure to crime at food stores affects nutrition or health. This study aimed to fill this research gap by exploring the lived experiences of Black Americans. In 2023, 502 Black-identifying adults completed a survey online. They reported their socio-demographics, fruit and vegetable (FV) consumption, food security status, height, weight, and experiences with crime at food stores in their community. Multivariable-adjusted regression models were examined to identify associations between exposure to crime at food stores and the following measures: low food security status, obesity status, and daily servings of FVs. Approximately 150 (29%) participants avoided one or more food stores in their community due to crime; 102 (20%) had witnessed a crime at a food store. Those who avoided food stores had greater odds of low food security (OR: 1.94; 95% CI: 1.25–3.02) and obesity (OR: 2.15; 95% CI: 1.33–3.48) compared to others. Those who witnessed a crime had greater odds of low food security (OR: 3.14; 95% CI: 1.82–5.41). Exposure to crime at food stores was not associated with FV consumption after adjusting for socio-demographics. Exposure to crime in food stores may have negative health and nutritional implications. Future studies should explore these implications for populations that are disproportionately affected by crime.
A Rigorous Integrator and Global Existence for Higher-Dimensional Semilinear Parabolic PDEs via Semigroup Theory
Authors: Duchesne Gabriel William , Lessard Jean-Philippe , Takayasu Akitoshi 
Published: January 2025

Abstract
In this paper, we introduce a general constructive method to compute solutions of initial value problems of semilinear parabolic partial differential equations on hyper-rectangular domains via semigroup theory and computer-assisted proofs. Once a numerical candidate for the solution is obtained via a finite dimensional projection, Chebyshev series expansions are used to solve the linearized equations about the approximation from which a solution map operator is constructed. Using the solution operator (which exists from semigroup theory), we define an infinite dimensional contraction operator whose unique fixed point together with its rigorous bounds provide the local inclusion of the solution. Applying this technique for multiple time steps leads to constructive proofs of existence of solutions over long time intervals. As applications, we study the 3D/2D Swift–Hohenberg, where we combine our method with explicit constructions of trapping regions to prove global existence of solutions of initial value problems converging asymptotically to nontrivial equilibria. A second application consists of the 2D Ohta–Kawasaki equation, providing a framework for handling derivatives in nonlinear terms.
Can communication Brain-Computer Interfaces read minds?
Authors: van Balen Bouke 
Published: January 2025

Abstract
Recent developments in the domain of communication Brain-Computer Interface (BCI) technology have raised questions about the ability for communication BCIs to read minds. How those questions are answered depends on how we theorize the mind and mindreading in the first place. Thus, in this paper, I ask (1) what does it mean to read minds? (2) can a communication BCI do this? (3) what does this mean for potential users of this technology? and (4) what is at stake morally in light of this? I show that current answers to these questions are conceptually unclear and committed to a Cartesian picture of the mind and its relation to the brain, questionably informing how debates about BCIs as mindreading devices are framed. I offer an alternative perspective on these questions by turning to an enactive perspective on mindedness. I argue that this perspective can offer conceptual as well as ethical clarification about what is at stake in the domain of communication BCIs. From this perspective, the concerns raised about BCIs as mindreading machines are demystified. Instead, concerns are raised about BCIs as enabling users to flourish as authentic communicators.
The role of divine grace in Kant’s rational religion
Authors: Hildebrand Carl 
Published: January 2025

Abstract
Kant’s rational religion has been described as a failure because his idea of redemption contains contradictory appeals to human responsibility and divine assistance. For example, John Hare has argued that Kant cannot explain how human beings can bridge a moral gap between an ideal state of virtue and an imperfect disposition. In this paper, I defend Kant from this criticism, arguing that his rational religion is coherent: human agency and divine assistance may each contribute to redemption without inconsistency. I argue that divine grace may be operative for Kant through the gradual process of character formation, in addition to the instantaneous change of heart, providing an alternative explanation of how the moral gap may be bridged. I compare this account with Erasmus’s account of free will and divine grace, arguing that each account employs a similar strategy and structure to explain the operation of grace. Though Kant’s position is not identical with historical (orthodox) Christianity, he holds that reason is necessarily religious in orientation and must remain open to the possibility that divine grace is necessary for moral improvement.
Metasomatic Alteration of Type 3 Ordinary and Carbonaceous Chondrites
Authors: Krot A. N. , Petaev M. I. , Piani L. , Marrocchi Y. , Fujiya W. , Pravdivtseva O. V. , Dobrică E. , Vacher L. G. , King A. J. , Lee M. , Van Kooten E. , Jacobsen B. , Alexander C. M. O’D. , Bischoff A. , Brearley A. J. , Le Guillou C. , Remusat L. , Leitner J. , Huss G. R. 
Published: January 2025

Abstract
Metasomatism refers to the process during which a pre-existing rock undergoes compositional and mineralogical transformations associated with chemical reactions triggered by the reaction of fluids which invade the protolith. It changes chemical compositions of minerals, promotes their dissolution and precipitation of new minerals. In this paper, we review metasomatic alteration of type 3 ordinary (H, L, LL) and carbonaceous (CV, CO, CK) chondrites, including (i) secondary mineralization, (ii) physicochemical conditions, (iii) chronology (53Mn-53Cr, 26Al-26Mg, 129I-129Xe) of metasomatic alteration, (iv) records of metasomatic alteration in H, O, N, C, S, and Cl isotopic systematics, (v) effects of metasomatic alteration on O- and Al-Mg-isotope systematics of primary minerals in chondrules and refractory inclusions, and (vi) sources of water ices in metasomatically altered CV, CO, and ordinary chondrites, and outline future studies.
Validation of a novel mask-based device for monitoring of comprehensive sleep parameters and sleep disordered breathing
Authors: Fox Benjamin D. , Shihab Murad , Nassir Abed , Kushinsky Dahlia , Barnea Ofer , Tal Asher 
Published: January 2025

Abstract

Purpose
This study aimed to validate the new DormoTech Vlab device’s performance, usability, and validity as a sleep test and physiological data recorder. The novel device has been designed for patient comfort, ease of use, and home-based assessment of sleep disordered breathing and other sleep-related measurements.

Methods
Forty-seven adults (mean age = 52 years, 42% female, body mass index 29.4 kg/m2) underwent simultaneous testing with the DormoTech Vlab device and routine full polysomnography (PSG) using the Nox A1 system (K192469, Nox Medical). The sleep studies were manually and independently scored according to recommended guidelines. The primary outcome measure was the apnea-hypopnea index (AHI) and its corresponding conventional severity level (i.e., normal, mild, moderate, severe). Secondary endpoints included other standard PSG parameters.

Results
The AHI was 21.7 ± 24.2 events/h (mean ± standard deviation) using the Vlab device versus 21.5 ± 23.9 events/h for gold standard PSG Nox A1 (p = 0.7). When AHI was grouped by severity, inter-test agreement was high (Cohen’s kappa = 0.97). Results between the two systems were largely similar in the secondary endpoints, with high correlation between the two systems, and statistically significant (p < 0.05) differences only in REM latency measurements. The Vlab device provides similar sleep study data to conventional gold standard PSG and clinically near-identical test interpretation in almost all cases.

Conclusion
Based on these results, the Vlab device can be considered substantially equivalent to the reference Nox A1 system in terms of usability, efficacy, and validity.

Clinical Trial Registration
Trial name: Evaluation of the Usability and Performance Assessment of the DormoTech VLAB Device as a Home Sleep Test Identification number: NCT06224972. Date of Registration: 2023-12-06.