bluuebunny/crossref_metadata_2025_split huggingface dataset:
ToxACoL: An Endpoint-Aware and Task-Focused Compound Representation Learning Paradigm for Acute Toxicity Assessment
Authors: He Song , Lu Jiang , Wu Lianlian , Li Ruijiang , Bai Hui , Bo Xiaochen 
Published: December 2024

Abstract

Chemical safety assessment is critical in the early stages of drug discovery and ecological risk assessment. Multi-species acute toxicity assessment is typically conducted as the initial phase to determine whether chemicals can proceed to industrial use or clinical trials. Although deep learning has shown promise in acute toxicity evaluation, inherent challenges such as diverse experimental conditions, imbalanced endpoint data, and scarce target endpoint data are often overlooked. This hinders existing methods from revealing associations among multi-condition endpoints, and leads to poor predictive performance for data-scarce target endpoints, especially those related to humans. Here we propose a novel machine learning paradigm, Adjoint Correlation Learning, for multi-condition acute toxicity assessment (ToxACoL) to address these challenges. ToxACoL models biological associations among multi-species, multi-condition toxicity endpoints via graph topology and achieves knowledge transfer via graph convolution. An adjoint correlation mechanism encodes compounds and endpoints synchronously, enabling an endpoint-aware and task-focused representation learning for compounds. Comprehensive analyses demonstrate that ToxACoL successfully balances performance across multi-condition endpoints, yielding 43%-115% improvements for data-scarce human-related endpoints, while reducing required training data by approximately 70% to 80%. Furthermore, investigation into the visualization and interpretability of the top-level representation learned by ToxACoL elucidates the structural alert mechanisms behind acute toxicity and highlights the potential for extrapolating animal test results to humans when integrated with the filled-in toxicity values.
Assessment of Bimodal Machine Learning framework in predicting air quality index articulated as numerical and text encoded targets over urban centers
Authors: Mogaraju Jagadish Kumar 
Published: December 2024

Abstract

Machine learning tools were used in this study to extract information on prediction capabilities using regression and classification modalities. PM10, PM2.5, NO, NO2, NOX, NH3, SO2, CO, O3, Benzene, Toluene, and Xylene were used as predictors. AQI was a target variable with numerical and text-encoded values. Nineteen regressor and fifteen classifier models were tested for prediction capabilities, and features influencing AQI prediction were presented. We used six evaluation metrics, i.e., MAE, MSE, RMSE, R2, RMSLE, and MAPE, under regression mode and Accuracy, AUC, Recall, Precision, F1, Kappa, and MCC for classification mode. When regression mode was used, we observed that the Extra Trees Regressor performed well with an R2 of 0.94. For classification mode, the Random Forest Classifier performed relatively better with an accuracy and precision of 0.824. We observed that PM2.5 and PM10 are vital in AQI prediction under regression mode, and PM10 and PM2.5 are essential in classification mode. We conclude that Particulate matter is crucial in predicting AQI over the stations we considered and is supported by ML-based observations.
MIDAS Poisson regression advancements in dengue fever prediction using Google Trends and environmental data
Authors: Omer Talha 
Published: December 2024

Abstract

This paper proposes a new approach to a generalization of Poisson regression for count time series data typically sampled at different frequencies to improve the forecasting accuracy of dengue cases in Pakistan. Mixed data sampling (MIDAS) is introduced in the context of Poisson regression, as it enables us to model and forecast dengue events more accurately. Different selected polynomial weights from the literature are applied in MIDAS and U-MIDAS settings, and different forecast combinations are used to improve the forecasting accuracy of dengue event counts. For the period 2006-2017, the proposed model correctly forecasts significantly more dengue cases than does the standard Poisson regression model for all forecasting horizons. Furthermore, Google trends data can be a useful addition to traditional numeric data to forecast dengue cases.
Knowledge and perceptions of COVID-19 vaccine uptake among adults: A community-based cross-sectional survey in the Kilimanjaro region, Tanzania
Authors: Shedura Vulstan James , Mcharo Jonas Alfred , Hussein Ally Kassim , Mchau Geofrey Joseph , Kamori Doreen 
Published: December 2024

Abstract

Background: Vaccination remains the most effective measure to prevent and control infectious diseases, including pandemics like COVID-19. Ensuring widespread vaccine uptake is critical for achieving herd immunity and curbing disease transmission. Despite the availability of COVID-19 vaccines, resistance to uptake, particularly among adults, poses a public health challenge. This study assessed knowledge and perceptions of COVID-19 vaccine uptake among adults in the Kilimanjaro Region, Tanzania. A community-based cross-sectional survey was conducted in Hai and Siha districts of the Kilimanjaro Region, Tanzania. A total of 434 adults were randomly selected from community household listings. Data were collected using a structured interview guide translated into Swahili, the local language, and back-translated to ensure validity. Knowledge and perceptions were assessed, and data were analyzed using IBM SPSS version 21.
Results: Among the 434 participants, the majority were female (58%), and nearly a quarter (24%) reported a history of COVID-19 infection. Mass media (42%) and interpersonal communication (40%) were the primary sources of vaccine-related information, followed by social media (18%). Overall, 78% of participants demonstrated poor knowledge regarding COVID-19 vaccines. Poor knowledge was more prevalent among older adults, individuals with lower education levels, and unemployed participants. Concerns about vaccine safety and efficacy were most common among participants who relied on social media as their primary information source.
Conclusions: Knowledge about COVID-19 vaccines among adults in Kilimanjaro was generally low, and misconceptions were prevalent, particularly among social media users. There is an urgent need to enhance public education campaigns through trusted mass media and address misinformation on social media platforms to improve vaccine uptake and acceptance.
Applications of hydrated fullerene to food preservation: protective effects against oxidative stress during low-temperature storage of Crassostrea gigas oysters
Authors: Ponomarenko Olexandr , Falko Oksana , Ovsyannikova Tatyana , Gubsky Sergey , Evlash Victoriia , Chyzhevskiy Viktor 
Published: December 2024

Abstract

Hydrated fullerene as an aqueous colloidal solution exhibits a wide range of biological activity at low concentrations and can be applied in food technologies. The purpose of this study is the effect of treating Pacific oysters (Crassostrea Gigas) with hydrated fullerene as a safety tool during hypothermic storage. In order to prove this hypothesis, traditional biochemical tests were used. During the storage of shellfish under conditions of anoxia and hypothermia, processes develop that lead to oxidative stress in animals and food spoilage. It has been established that the use of HF at the stage of preparing oysters for storage slows down the processes of free radical processes and reduces the accumulation of fatty peroxidation products in the tissues of oysters. In this group of mollusks, compared to the control group, there is an increase in the activity of superoxide dismutase and catalase, and an increase in the concentration of reduced glutathione. Such changes are discussed due to the mechanism of activation of adaptive changes in the work of the antioxidant defense system of mollusks under oxidative stress. This factor allows you to increase the viability of oysters and increase their shelf life. Further research will eliminate the biological risks of using nanoparticles in two directions, both in food technologies and in low-temperature storage of biological raw materials.
Assessment of Optical System Performance Concerning Different Extinction Ratio Values
Authors: Abdulwahid Maan M. 
Published: December 2024

Abstract

The low cost of high-speed transmission in Radio over Fiber (RoF) systems has attracted worldwide attention. By also adding Wavelength Division Multiplexing (WDM), also increases the system's ability to manage multi-channel data. In this paper, a 16x40 Gbps WDM RoF system is assessed, with various Extinction Ratio (ER) values considered. Six ER values from 5 to 30 dB were simulated using Optisystem. Results suggest that the relationship of the Q-Factor (QF) with ER is positive, while that of BER with ER is negative. However, an increase in ER beyond 20 dB produced diminishing benefits, likely because with such high ER values noise and distortion mechanisms become insignificant relative to signal quality improvements. The above also stresses the importance of the best intuitive form of the ER to make the system function in the easiest way possible.
In-silico analysis of E-β-farnesene for its possible insect-repellent activity through interaction with Odorant Binding Proteins (OBPs)
Authors: Parvaiz Aqsa , Abid Hafsa , Altaf Anam , Kainat Wajeeha , Mustafa Ghulam , Khan Muhammad Sarwar , Hussain Muhammad Mudassir , Joyia Faiz Ahmad 
Published: December 2024

Abstract

Contrary to humans, many animals, especially insects, rely heavily on the sense of smell to detect their foods, predators, mating partners and nesting sites. Odor molecules are chemicals, originating from a source. When such chemical compounds interact with odorant binding proteins (OBPs) and subsequently with the receptors associated with the insect nervous system, a cascade of reactions commences. In the present study, an in-silicoappraisal of a broad range of aphid repellent molecules was carried out in order to propose their mechanism of action at molecular level. Initially 3-D protein structure prediction of odorant binding proteins was carried out using SWISS model, Phyre2 and Modeller. The aphid repellent molecule E-beta-farnesene (a chemical compound used as ligand) was retrieved from PubChem. Physiochemical analyses carried out by Protparam revealed that OBPs are basic in nature with 9.30 isoelectric point (pI) and based on aliphatic index OBPs were found to be thermostable. Protein-ligand interaction was carried out with the help of Auto Dock Vina (ADV) tool that revealed complex interactions among ligand and proteins showing binding affinities by different bonds including hydrogen bonding, hydrophobic bonding, and elastic bonds. However, Phe230 residue in OBP of Apis gossypii showed interaction with ligand’s C9 atom via hydrogen bond having bond length of 3.04 Å. The use of new analogous for a wide range of aphid pests should be carried out in future studies.
Synthesis of Novel Derivatives of 4,6-Diarylpyrimidines and Dihydro-Pyrimidin-4-one and In silico Screening of Their Anticancer Activity
Authors: Onipko Oleksandr V. , Stoianova Veronika , Buravov Oleksandr V. , Chebanov Valentyn A. , Kyrychenko Alexander , Gladkov Eugene S. 
Published: December 2024

:
Derivatives of pyrimidinone, dihydropyrimidinone, and 2,4-diaryl-substituted pyrimidines were synthesized by cyclocondensation of α-aminoamidines with various sat-urated carbonyl derivatives and their analogs. The therapeutic potential of the newly syn-thesized derivatives for cancer treatment was evaluated using molecular docking calcula-tions. The molecular docking results indicate that some of the synthesized diaryl deriva-tives of pyrimidine exhibit high binding affinity towards PIK3γ.

Aim and Objective:
4,6-Diaryl-substituted pyrimidines have shown high inhibitory poten-cy against phosphoinositide 3-kinases (PI3Ks), which are important targets in oncology. Inhibition of PI3Ks could potentially be a viable therapy for human cancers.

Materials and Methods:
The synthesis of pyrimidinone and dihydropyrimidinone deriva-tives as well as a series of 2,4-diaryl-substituted pyrimidines were described. These com-pounds were synthesized by cyclocondensation of α-aminoamidines with various saturated carbonyl derivatives and their analogs.

Results:
Derivatives of pyrimidinone, dihydropyrimidinone, and 2,4-diaryl-substituted py-rimidines were synthesized by combining α-aminoamidines with various saturated car-bonyl derivatives and their analogs. By adjusting the large substituents in the 2-position, we gained the ability to modify the therapeutic properties of the resulting compounds. The potential of the newly synthesized derivatives for cancer treatment was assessed using mo-lecular docking calculations. The results of the docking calculations suggest that some of the synthesized diaryl derivatives of pyrimidine have a strong binding affinity towards PIK3γ, making them promising candidates for the development of new anticancer medica-tions.

Conclusion:
We synthesized some pyrimidinones, dihydropyrimidinones, and 2,4-diaryl-substituted pyrimidines by combining α-aminoamidines with various saturated carbonyl derivatives and similar compounds. Molecular docking results suggest that certain diaryl derivatives of pyrimidine have a strong binding affinity for PIK3γ. Moreover, diphenyl de-rivatives of pyrimidine exhibited dual inhibitory activity against PI3K and tubulin, show-ing promise for the development of next-generation microtubule-targeting agents for use in combination therapies.
Community-driven Waste Management: Insights from an Action Research Trial in Yogyakarta, Indonesia
Authors: Mulasari Surahma Asti , Husodo Adi Heru , Sulistyawati Sulistyawati , Sukesi Tri Wahyuni , Tentama Fatwa 
Published: December 2024

Background
Yogyakarta is in a waste emergency period. Waste management poses a significant challenge in urban areas, necessitating innovative and sustainable solutions. This article explores the Community-Based Waste Management (CBWM) approach implemented in Yogyakarta City, Indonesia, shedding light on valuable lessons from this initiative. Yogyakarta City's experience is a case study for understanding the effectiveness of involving local communities in waste management efforts. Through participatory programs, residents have been empowered to actively contribute to waste reduction, recycling, and proper disposal practices.

Objective
This study seeks public health-oriented household waste management options and increases public awareness about trash management while keeping public health in mind to overcome Yogyakarta's waste emergency.

Methods
This study employs an action research design mixed with qualitative research. Participants were members of society, government authorities (environmental and health offices), and the Yogyakarta Provincial and City Health Offices. For the trial method, participants comprised four cycles utilizing a standard random sample procedure. An in-depth interview was conducted to evaluate the procedure, and questionnaires were used to determine performance indicators for the procedure.

Results
Community-based action research guarantees that waste management is improved by approaching it from a public health standpoint. Waste management innovations include implementing environmental sanitation, clean and healthy lifestyles, implementing occupational health and safety concepts, sorting organic and inorganic waste, as well as innovations in household waste management infrastructure.

Conclusion
Innovation in waste management considers that public health is necessary for society. Innovation refines waste processing techniques that were previously in use. This idea is suitable and adaptable to the circumstances of Yogyakarta City residents.
Burnout in Telecommunications Contracting Projects: Aggravating Factors and its Association with Gender
Authors: Fountopoulou Vasiliki Elvina , Vlastos Dimitris D. , Theofilou Paraskevi 
Published: December 2024

Aim
This research explores burnout in the telecommunications sector, focusing on personal and organizational factors based on gender. The hypotheses relate to gender differences, work-life balance, and organizational factors.

Methods
Using the quantitative methodology, 100 employees were interviewed, assessing variables, such as age, gender, marital status, work-life balance, and organizational support with the Maslach Burnout Inventory [MBI]. The data analysis, conducted using Jamovi, led to the following key findings.

Results
No significant gender differences were observed in depersonalization, personal achievement, and emotional burnout [p = 0.498, p = 0.614, p = 0.285, respectively], rejecting the first hypothesis. The work-life imbalance was associated with higher depersonalization [p = 0.001] and emotional exhaustion [p < 0.001], partially confirming the second hypothesis. Respondents with a lack of work-life balance reported significantly greater depersonalization [average = 11.50 vs. 6.41] and emotional burnout [average = 29.60 vs. 17.24]. High workload and insufficient support were associated with increased depersonalization [p = 0.023] and emotional burnout [p = 0.002], partially confirming the third hypothesis. Participants with high workloads reported greater depersonalization [average = 8.89 vs. 4.86] and emotional exhaustion [average = 23.42 vs. 12.86].

Discussion
Rapid technological changes and high demands in the telecommunications sector exacerbate stress, highlighting the need for effective workload management, organizational support, and promoting work-life balance to mitigate burnout.

Conclusion
Moreover, the implications of the fact that no significant gender differences are observed must be investigated in future studies.
An Ecological Momentary Assessment Approach of Environmental Triggers in the Role of Daily Affect, Rumination, and Movement Patterns in Early Alcohol Use Among Healthy Adolescents: Exploratory Study
Authors: Prignitz Maren , Guldner Stella , Lehmler Stephan Johann , Aggensteiner Pascal-M , Nees Frauke ,   IMAC-Mind Consortium
Published: December 2024

Background
Adolescence is a period characterized by an increased susceptibility to developing risky alcohol consumption habits. This susceptibility can be influenced by social and situational factors encountered in daily life, which, in conjunction with emotions and thoughts, contribute to behavioral patterns related to alcohol use even in the early stages of alcohol experimentation, when initial experiences with alcohol are formed, and regular consumption is still evolving.

Objective
This study aimed to examine the association between detailed behavioral and movement patterns, along with emotional and cognitive factors, and the early onset of alcohol use in the everyday lives of adolescents.

Methods
A total of 65 healthy adolescents (33 male, twenty-nine 14-year-olds, and thirty-six 16-year-olds) underwent mobile-based ecological momentary assessments on alcohol (once a day at 9 AM, assessing alcohol use the day before), positive and negative affect, craving, rumination, and social context (6 prompts/day at 9 AM, 11 AM, 2 PM, 4 PM, 6 PM and 8 PM), type of day (weekdays or weekends, with weekend including Fridays, Saturdays, and Sundays), and using geospatial measures (specifically roaming entropy and number and type of trigger points for alcohol use met) over 14 days. After adjusting for a compliance rate of at least 50%, 52 participants (26 male and twenty-four 14-year-olds) were included in the analyses.

Results
Generalized linear multilevel models revealed that higher positive affect (b=0.685, P=.007), higher rumination (b=0.586, P=.02), and a larger movement radius (roaming entropy) (b=8.126, P=.02) were positively associated with alcohol use on the same day. However, social context (b=–0.076, P=.90), negative affect (b=–0.077, P=.80), or potential trigger points (all P>.05) did not show significant associations. Alcohol use varied depending on the type of day, with more alcohol use on weekends (b=1.082, P<.001) and age (t50=–2.910, P=.005), with 16-year-olds (mean 1.61, SD 1.66) reporting more days of alcohol consumption than 14-year-olds (mean 0.548, SD 0.72).

Conclusions
Our findings support previously identified factors as significant contributors to very early and low levels of alcohol consumption through fine-grained analysis of daily behaviors. These factors include positive affect, rumination, weekend days, and age. In addition, we emphasize that exploratory environmental movement behavior (roaming entropy) is also significantly associated with adolescent alcohol use, highlighting its importance as an additional factor.
Self-Induced Mania Methods and Motivations Reported in Online Forums: Observational Qualitative Study
Authors: Bostock Emmanuelle CS , Nevarez-Flores Adriana G , Neil Amanda L , Pontes Halley M , Kirkby Kenneth C 
Published: December 2024

Background
In bipolar disorder (BD), mania may be self-induced by manipulation of specific precipitants, as reported in case studies. Another potential source of information on the self-induction of mania is the online postings of users with lived experience of mania.

Objective
The primary aim of this study is to examine the range of methods used to self-induce mania or hypomania described by users of online forums with self-reported BD. Second, we summarize the motivations of users to engage in these behaviors.

Methods
We conducted an observational study of online forum posts that discussed self-induction of mania or hypomania, either in the posters themselves or observed firsthand in others. Posts were identified using Google advanced search operators, then extracted and coded for content in NVivo (version 12 for Mac; QSR International). A total of 44 online forum threads were identified discussing self-induced mania (n=25) or hypomania (n=19). These forums contained 585 posts by 405 usernames, of which 126 usernames discussed methods for self-induction across 327 posts (number of methods per username: median 2, IQR 1-4; range 1-11).

Results
In total, 36 methods were grouped by the authors. The most frequently reported were sleep reduction (n=50), caffeine (n=37), and cessation of medication (n=27). Twenty-six usernames reported their motivation to self-induce mania or hypomania; almost three-quarters (n=19) reported a desire to end a depressive episode. Almost a third of usernames (118/405) explicitly discouraged other forum users from self-inducing mania or hypomania.

Conclusions
Online forums provide an additional and valuable source of information about triggers for mania that may inform relapse prevention in BD. The online forum conversations investigated were generally responsible and included cautionary advice not to pursue these methods.