bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic Hydrodesulfurization of Thiophene, Dibenzothiophene and 4,6-Dimethyldibenzothiophene on a CoMoS Catalyst
Authors: Prabhu M. K. , Louwen J. N. , Vogt E. T. C. , Groot I. M. N. 
Published: February 2025

Abstract
Previous studies have employed density functional theory (DFT) modeling to investigate hydrodesulfurization (HDS) pathways for heavy aromatic sulfides, typically focusing on hydrogenation to assist in C-S bond cleavage on both pristine and promoted MoS₂ catalysts. These investigations, which primarily examine the reduced Mo- and sulfur-terminated edges of MoS₂ slabs, generally categorize the reaction pathways into two types: direct desulfurization (DDS) and hydrogenation-desulfurization (HYD). Traditionally, these models assume that C-S bond cleavage occurs through interactions with edge sulfur atoms, with less attention given to the role of promoter metals like Co. However, our recent work indicates that Co atoms on the S-edges of MoS₂ slabs may play a crucial role in activating and dissociating C-S bonds, particularly through an α-carbon transfer. This process has been identified as key in the desulfurization of small thiols like methanethiol, prompting further investigation into its relevance for aromatic thiols such as thiophene, dibenzothiophene (DBT), and 4,6-dimethyldibenzothiophene (DMDBT). In the DFT calculations presented in this article, we demonstrate that the activation barrier for C-S bond cleavage to Co remains consistent at 1.0-1.1 eV/atom for the unsubstituted aromatic sulfides with a higher 1.67 eV for DMDBT. This oxidative addition mechanism of Co is strongly favored by the presence of dissociated hydrogen on adjacent sites and the aromatic nature of the molecule being desulfurized, while self-desulfurization through this pathway is found to be unfavorable. Our findings provide new insights into the chemistry of promoter atoms in the HDS of heavy aromatic sulfides.

Graphical Abstract
Phasing out payroll tax subsidies
Authors: Herget Anna , Riphahn Regina T. 
Published: February 2025

Abstract
Many countries subsidize low-income employments or small jobs. These subsidies and their phasing out can generate labor market frictions and distort incentives. The German Minijob program subsidizes low-income jobs. It generates a ‘Minijob trap’ with substantial bunching along the earnings distribution. Since 2003, the newly introduced Midijob subsidy aims to reduce the Minijob-induced notch in the net earnings distribution. Midijobs reduce payroll taxes for employments above the Minijob earnings ceiling. We investigate whether introducing Midijobs reduced the Minijob trap. We apply a regression discontinuity design using administrative data and a difference-in-differences estimation using survey data. While in both cases our results show a small positive overall effect of Midijobs on transitions out of Minijobs, they are effective only for a narrow treatment group.
Changes in Pregabalin Dispensing to Australians with Workers’ Compensation Claims for Low Back Pain Following the Listing of Pregabalin on the Pharmaceutical Benefits Scheme
Authors: Di Donato Michael F. , Abdel Shaheed Christina , Collie Alex , Maher Christopher G. , Mathieson Stephanie 
Published: February 2025

Abstract

Objectives
We sought to identify whether the inclusion of pregabalin on the list of medicines subsidised by the Australian government in 2013 resulted in changes to the dispensing of pregabalin to Australians with workers’ compensation claims for low back pain.

Methods
Using a sample of workers’ compensation claims and payments data (2010–2018), we measured the prevalence of pregabalin dispensing and time to first pregabalin dispensing in workers whose claim began before, during or after pregabalin was listed on the Pharmaceutical Benefits Scheme (PBS) with binary logistic and Cox proportional hazards models. We used interrupted time-series analyses to measure changes in the monthly number, percentage of pain medicines, percentage of gabapentinoid dispensings, and median cost per dispensing of pregabalin.

Results
Of the 17,689 workers included in the study, 13.7% (n = 2431) were dispensed pregabalin during the study period. Workers in the groups whose claim occurred before or during when pregabalin was listed on the PBS were at significantly lower odds of being dispensed pregabalin than the group whose claim began after PBS listing (OR 0.20, 99% CI 0.15, 0.25 and OR 0.40, 99% CI 0.33, 0.48, respectively). There were significant step increases in the number of pregabalin dispensings (26.3%, 99% CI 6.2%, 50.3%), percentage of pain medicines that were pregabalin (29.3%, 99% CI 1.5%, 64.9%), and percentage of gabapentinoid dispensings that were pregabalin (13.9%, 99% CI 7.5%, 20.6%). There was a significant step decrease in the median cost per pregabalin dispensing (− 61.8%, 99% CI − 66.8%, − 56.1%).

Conclusion
Listing pregabalin on the PBS saw significant increases in the prevalence, number and percentage of pain medicines, and significant decreases in time to first pregabalin dispensing and cost.
The genus Valeriana L.: ethnopharmacology, phytochemistry and biological activities—an updated review
Authors: Çelik Cansel , Kırmızıbekmez Hasan 
Published: February 2025

Abstract
The genus Valeriana L. is a large genus with its 436 accepted species distributed all over the world. Some members of the genus have been utilized in different folk medicines to cure many diseases especially anxiety, sleep disorders and epilepsy since remote times. Pharmacological studies on the extracts prepared mostly from below ground parts of some Valeriana species mainly from V. officinalis, V. jatamansi, and V. amurensis revealed their diverse bioactivities including, anxiolytic, antidepressant, anticonvulsant, anti-inflammatory, cytotoxic, and anticancer activities. Many secondary metabolites have been isolated and characterized from several Valeriana species that belong to mainly iridoid, sesquiterpene, lignan, flavonoid chemical classes. Bioactivity studies on the isolated iridoids, sesquiterpenes, and lignans derived from these species possess significant biological activities such as cytotoxic, anticancer, anti-inflammatory, neuroprotective, and antiviral activities. This comprehensive review aims to provide an overview of the traditional use and phytochemical composition of Valeriana species as well as the very recent bioactivities of secondary metabolites derived from these species. Recent in vitro, in vivo, and clinical studies are reviewed and discussed, particularly focusing on cytotoxic, anti-inflammatory, neuroprotective, and anti-viral activities of the isolated compounds from Valeriana species. Among the secondary metabolites, especially iridoids, sesquiterpenes, and lignans seem to be the compounds that are responsible for the pharmacological activities of extracts. Although promising results were reported for some secondary metabolites in in vitro studies, it is essential to perform in vivo and even clinical studies in order to discover new potential drug leads from this genus.
Exploring the Moderating Effect of Control Group Type on Intervention Effectiveness in School-Based Anxiety and Depression Prevention: Findings from a Rapid Review and Network Meta-analysis
Authors: Caldwell Deborah M. , Palmer Jennifer C. , Webster Katie E. , Davies Sarah R. , Hughes Hugo , Rona Joseph , Churchill Rachel , Hetrick Sarah E. , Welton Nicky J. 
Published: February 2025

Abstract
Many randomized controlled trials have investigated the role of school-based prevention interventions to reduce symptoms of anxiety and depression in young people. Systematic reviews have subsequently demonstrated a small, beneficial effect of these interventions when compared to a combined control group including usual care, no intervention, or waiting list controls. However, evidence from behavioral science and clinical psychology suggests control group choice may influence the relative effectiveness of non-pharmacological interventions. Here we explored whether separating this combined control group into distinct categories might influence the apparent effectiveness of preventive interventions. After updating an earlier review and network meta-analysis of preventive interventions for anxiety and depression in young people, we considered the impact of alternative control groups on estimates of effectiveness. This analysis was restricted to comparisons with cognitive-behavioral interventions only—the most common intervention used in the included studies. In targeted populations, for both anxiety and depression outcomes, the effect of a cognitive-behavioral intervention was larger when compared to waiting list controls than to usual curriculum, no intervention, or attention controls. For anxiety, the effect of no intervention was also considerably larger than waiting list control (standardized mean difference -0.37 [95% credible interval − 0.66, − 0.11], favoring no intervention). These results suggest that the beneficial effect of preventive school-based interventions previously observed in standard meta-analyses may be an artifact of combining control groups. Although exploratory, these findings indicate the impact of different control groups may vary considerably and should be taken into account when interpreting the effectiveness of interventions.
“You keep me hanging on”: Evidence from the Columbia door hanger experiment
Authors: Boehme Hunter M. , Tregle Brandon , Schnell Cory 
Published: February 2025

Abstract

Objectives
To investigate whether police deployment of door hangers providing crime prevention tips to recently victimized households and nearby households reduces property crime in treated areas.

Methods
A randomized field experiment was implemented by randomly assigning the intervention across six neighborhoods in Columbia, SC. The test period lasted 184 days, and the intervention effect was analyzed across burglary, theft, and motor vehicle theft crime types.

Results

T-tests and negative binomial regression models indicated significant decreases across all property crimes and thefts in treated areas. However, there were decreases in burglaries and motor vehicle theft which were not statistically significant.

Conclusions
We provide experimental evidence on a light-footprint, super-cocooning police intervention targeting property crime. During a staffing crisis, and since Americans are more likely to experience property crime victimization compared to violent crime, police agencies should consider cost-effective and easy-to-implement strategies such as door hanger intervention to reduce property crime.
Multiphase photochemical reactions as sinks of nanoplastic photodissolution products in aqueous environments: a model study for benzene
Authors: Vione Davide , Passananti Monica , Minella Marco , Carena Luca 
Published: February 2025

Abstract
Carcinogenic benzene is the most concerning product of the irradiation of polystyrene nanoplastics in aqueous suspension. Interestingly, benzene formed in water from polystyrene can volatilise to the gas phase or react with aqueous-phase hydroxyl radicals (•OH(w)) to produce toxic phenol. The persistence of benzene in water would range from some weeks to some months, and the branching ratio between the •OH(w) reaction and volatilisation mainly depends on water depth and the DOC (dissolved organic carbon) concentration. Actually, benzene volatilisation is particularly important in shallow waters (1–2 m depth), or even in relatively deep waters (> 5 m) if the DOC value is high enough (> 5 mgC L−1). Aqueous phenol formed from benzene + •OH(w) reacts in turn with •OH(w), the carbonate radical (CO3
•–
(w)), and the triplet states of chromophoric dissolved organic matter (3CDOM*(w)) in different proportions, depending on water chemistry. In the gas phase, benzene reacts with •OH(g) to produce phenol, which in turn reacts with •OH(g) and especially with the nitrate radical (•NO3 (g)). The overall degradation is fast enough for phenol to reach an extremely low steady-state concentration in the atmosphere. However, up to 50% of the initial water-dissolved benzene would produce gas-phase phenol as intermediate compound and, eventually, yield phytotoxic nitrophenols. Among the latter, 4-nitrophenol has strong potential to partition into atmospheric waters and reach back aqueous environments (or soil) via wet depositions. To a lesser extent, similar phenomena would involve the highly phytotoxic 2,4-dinitrophenol.
Exploring the impact of a CALL tool for emergent bilinguals
Authors: Feroce Nicholas , Liu Jenny , Chattergoon Rajendra 
Published: February 2025

Abstract
This study evaluates the impact of a computer-assisted language learning (CALL) tool for the acquisition of academic English and oral language skills in children learning English as a second language. Using a quasi-experimental design, we compare English proficiency scores for K-5 students who did or did not use the program during the 2020–21 school year. Analyses showed that learners who used the program scored higher on the overall test, including on the oral and written domains, compared to students who did not use the program. When controlling for prior year achievement, we found small, positive but non-significant effects for program users. Proficiency analyses did not reveal any significant differences between student groups. The results show promising evidence that CALL tools, and particularly those focused on oral language development, can be used to provide structured support to students for learning academic English and developing greater overall English language proficiency.
Monitoring dynamics in ear-leaf physiology during maize grain filling: genotype and nitrogen impact on source–sink relations and yield
Authors: Abo-Hamed Sammy , Elghareeb Eman M. , El-Shahaby Omar , Ibraheem Farag 
Published: February 2025

Abstract
During maize grain filling, effective coordination between a high source capacity and a robust sink significantly enhances yield. These source–sink relationships are primarily influenced by genotype and nitrogen availability, and achieving a balance between them has been a challenge in modern maize hybrids. In this study, three maize hybrids (B73 × Mo17, B73 × Sids7, and B73 × NC358), sharing B73 as the female parent, were produced, field-grown, and maintained till maturity under limited and sufficient soil nitrogen. The impact of the developing reproductive sink on growth, yield, and dynamic changes in ear-leaf physiology was monitored at 0, 5, 10, 15, and 20 days after pollination. Under limited and adequate N conditions, B73 × NC358 outperformed B73 × Mo17 and B73 × Sids7 in yield and most tested traits. The enhanced yield in B73 × NC358 was associated with increased sink-strength traits and improved source capacity-related morpho- physiological characteristics. As grain filling progressed, B73 × NC358 consistently demonstrated higher biomass accumulation, leaf nitrogen, stover nitrogen, chlorophyll content, total soluble proteins, and elevated activities of nitrate reductase (NR) and glutamine synthetase (GS) compared to the other hybrids. Nitrogen limitation curtails grain yield, growth, and leaf metabolites; however, it induces starch accumulation and increased protease and asparaginase (ASNase) activities in all hybrids. Our findings suggest that B73 × NC358 optimizes leaf nitrogen and balances source capacity and sink strength to enhance biomass, nitrogen use efficiency (NUE), and grain yield. The alleles from B73 and NC358 interact effectively to support a stay-green-like phenotype, promoting growth and grain yield across nitrogen conditions.
Severe burn injuries and the impact of mental health: insights from 7 years at Switzerland’s leading burn center
Authors: Pais Michael-Alexander , Vasella Mauro , Matthes Oliver , Millesi Elena , Kobler Alexander , Breckwoldt Tabea , Reid Gregory , Naef Lukas , Hofmann Luzie , Watson Jennifer Ashley , Bühler Philipp Karl , Giovanoli Pietro , Kim Bong-Sung 
Published: February 2025

Abstract
Severe burn injuries present significant global healthcare challenges, with outcomes significantly influenced by factors such as socioeconomic status, mental health conditions, and substance use, which vary across regions and healthcare systems. This study investigates the etiologies, treatment outcomes, and the impact of psychiatric conditions and controlled substance use on burn injuries in patients admitted to the intensive care unit at Switzerland’s largest Burn Center. Data were retrospectively analyzed from 438 patients admitted to the University Hospital Zurich Burn Center ICU between 2016 and 2022. Variables assessed included baseline characteristics, burn etiologies, injury mechanisms, treatment modalities, complications, discharge outcomes, and mortality. Statistical analyses employed generalized linear models and logistic regression. Most burns occurred at home/leisure activities (43.4%), 21.2% at work. Pre-existing psychiatric conditions were present in 38.8% of patients, and 24.4% were under influence of controlled substances at the time of injury. These factors were associated with higher complication rates, increased surgeries, longer hospital stays, and lower survival rates. The overall in-hospital mortality rate was 15.8%, significantly linked to a history of controlled substance use. These findings highlight the significant impact of psychiatric conditions and use of controlled substances on burn injury outcomes, underscoring the importance of an interdisciplinary approach to treatment and management, particularly for patients with mental health and substance abuse histories.
Cytisine for smoking cessation in hospitalised smokers with cardiovascular diseases: an observational study
Authors: Erika Tedesco , Sofia Ceccato , Alessandro Torazzi , Laura Santin , Lorenzo Losso , Andrea Bottardi , Rebecca Casari , Silvia Melchiori , Erica Secchettin , Valeria Ferrero , Elena Arzenton , Paola Marini , Fabio Lugoboni , Cristiano Chiamulera 
Published: February 2025

Abstract
Cigarette smoke is a significant risk factor for cardiovascular diseases (CVD). Among pharmacotherapy for smoking cessation, the plant alkaloid cytisine (CYT) -a nicotinic receptors partial agonist- has been shown to have a safe profile, with a minimal risk for drug interactions. Since previous studies have excluded CVD patients, there are few existing data examining CYT safety in this critical population. An observational prospective study was conducted in the Verona University Hospital (AOUI), Italy, to assess the safety and efficacy of CYT for smoking cessation. Thirty-six hospitalised participants from the Cardiology Department received oral CYT 1.5 mg for 25 days, according to the West Dosing Schedule (6 capsules for the first 3 days, gradually decreased up to 2 capsules on the last 6 days), in combination with supportive care. The primary endpoint was CYT safety, with 11 mild-moderate Adverse Drug Reactions (ADRs) reported by 9 (25%) participants. Initial insomnia (11%), nausea (6%), sleep disorders (6%), headache (3%), gastritis (3%), and diarrhoea (3%) were the most frequent symptoms. No serious or unexpected ADRs were identified, with no increase in cardiovascular events. Efficacy was assessed as self-reported 7-day point prevalence abstinence (PPA) at 3, 6 and 12 months post-quit. At the first follow-up, abstinence was also biochemically verified by exhaled carbon monoxide (CO) measurement, which was confirmed for 36% of participants. Considering lost to follow-up as relapsed patients, the PPA was 50%, 47% and 36% at 1st, 2nd and 3rd follow-up, respectively. These results may suggest that CYT has a well-established safety profile in hospitalised CVD patients, but further investigation is needed.
Recent Advances in Perovskite-Based Heterojunction Photocatalysts: Synthesis, Properties, and Applications
Authors: Baray-Calderón A. , Aleman-Ramirez J. L. , Díaz-Cruz Evelyn B. , Martinez-Alonso Claudia , Fuentes-Pérez M. , Olvera-Vargas H. , Becerra-Paniagua Dulce K. 
Published: February 2025

Abstract
Photocatalysis has attracted increasing scientific interest since it represents a promising path to combat the growing energy crisis and environmental pollution problems. Among the various materials used in photocatalysis, perovskites have become ideal photocatalysts due to their superior optoelectronic, morphologic, and physicochemical properties. However, pristine perovskites still have issues, such as weak stability, limited carrier extraction, and restricted active sites. Therefore, various strategies have been developed to improve the photocatalytic activity of pure perovskites in combination with other materials to form more efficient heterojunction composites. This review paper aims to report on the latest advances in the development, characterization, and photocatalytic efficiency of perovskite-based heterojunction composites coupled with binary and ternary semiconductors, carbon materials, metal oxides, and sulfides. The photocatalytic processes covered in this work are CO2 reduction, H2 generation, and the degradation of organic pollutants. This study is expected to intensify research on the development of perovskite-based composites and their future application to obtain chemicals of industrial interest, biofuels, and clean water with perspective at pilot and industrial scale.
Forensic dental age estimation with deep learning: a modified xception model for panoramic X-Ray images
Authors: Yilmaz Ercument , Görürgöz Cansu , Kış Hatice Cansu , Canger Emin Murat , Öztaş Bengi 
Published: February 2025

Abstract

Purpose
This study aimed to develop an improved method for forensic age estimation using deep learning models applied to orthopantomography (OPG) images, focusing on distinguishing individuals under 12 years old from those aged 12 and above.

Methods
A dataset of 1941 pediatric patients aged between five and 15 years was collected from two radiology departments. The primary research question addressed the identification of the most effective deep learning model for this task. Various deep learning models including Xception, ResNet, ShuffleNet, InceptionV3, DarkNet, NasNet, DenseNet, EfficientNet, MobileNet, ResNet18, GoogleNet, SqueezeNet, and AlexNet were evaluated using traditional metrics like Classification Accuracy (CA), Sensitivity (SE), Specificity (SP), Kappa (K), Area Under the Curve (AUC), alongside a novel Polygon Area Metric (PAM) designed to handle imbalanced datasets common in forensic applications.

Results
“Forensic Xception” model derived from Xception outperformed others, achieving a PAM score of 0.8828. This model demonstrated superior performance in accurately classifying individuals’ age groups, with high CA, SE, SP, K, AUC, and F1 Score. Notably, the introduction of the PAM metric provided a comprehensive evaluation of classifier performance.

Conclusion
This study represents a significant advancement in forensic age estimation from OPG images, emphasizing the potential of deep learning models, particularly the “Forensic Xception” model, in accurately classifying individuals based on age, especially in legal contexts. This research suggests a promising avenue for further advancements in forensic dental age estimation, with future studies encouraged to explore additional datasets, refine models, and address ethical and legal considerations.