bluuebunny/crossref_metadata_2025_split huggingface dataset:
Artificial intelligence streamlines scientific discovery of drug–target interactions
Authors: Yang Yuxin , Cheng Feixiong 
Published: January 2025

AbstractDrug discovery is a complicated process through which new therapeutics are identified to prevent and treat specific diseases. Identification of drug–target interactions (DTIs) stands as a pivotal aspect within the realm of drug discovery and development. The traditional process of drug discovery, especially identification of DTIs, is marked by its high costs of experimental assays and low success rates. Computational methods have emerged as indispensable tools, especially those employing artificial intelligence (AI) methods, which could streamline the process, thereby reducing costs and time consumption and potentially increasing success rates. In this review, we focus on the application of AI techniques in DTI prediction. Specifically, we commence with a comprehensive overview of drug discovery and development, along with systematic prediction and validation of DTIs. We proceed to highlight the prominent databases and toolkits used in developing AI methods for DTI prediction, as well as with methodologies for evaluating their efficacy. We further extend the exploration into three primary types of state‐of‐the‐art AI methods used in DTI prediction, including classical machine learning, deep learning and network‐based methods. Finally, we summarize the key findings and outline the current challenges and future directions that AI methods face in scientific drug discovery and development.
Cardiovascular and locomotor effects of binary mixtures of common ‘bath salts’ constituents: Studies with methylone, methylenedioxypyrovalerone and caffeine in rats
Authors: Seaman Robert W. , Galindo David G. , Stinson Benjamin T. , Sulima Agnieszka , Rice Kenner C. , Javors Martin A. , Ginsburg Brett C. , Collins Gregory T. 
Published: January 2025

AbstractBackground and PurposeThe use of ‘bath salts’ drug preparations has been associated with high rates of toxicity and death. Preparations often contain mixtures of drugs, including multiple synthetic cathinones or synthetic cathinones and caffeine. Little is known about the interactions of ‘bath salts’ constituents and adverse effects often reported by users.Experimental ApproachThis study used adult male Sprague–Dawley rats to characterise the cardiovascular effects, locomotor effects and pharmacokinetics of methylone, methylenedioxypyrovalerone (MDPV) and caffeine, administered alone and as binary mixtures. Dose‐addition analyses were used to determine the effect levels of a strictly additive interaction for dose pairs.Key ResultsMethylone, MDPV and caffeine increased heart rate (HR) and locomotion, with methylone producing the largest increase in HR, MDPV producing the largest increase in locomotor activity and caffeine being the least effective in stimulating HR and locomotor activity. MDPV and caffeine increased mean arterial pressure (MAP), with caffeine being more effective than MDPV. The nature of the interactions between methylone and MDPV tended towards sub‐additivity for all endpoints, whereas interactions between MDPV or methylone and caffeine tended to be additive or sub‐additive for cardiovascular endpoints, and additive or supra‐additive for increases in locomotion. No pharmacokinetic interactions were observed between individual constituents, but methylone appeared to display nonlinear pharmacokinetics at the largest dose evaluated.Conclusion and ImplicationsThese findings demonstrate that ‘bath salts’ preparations can impact both cardiovascular and locomotor effects and suggest that interactions among constituent drugs could contribute to the ‘bath salts’ toxidrome reported by human users.
A Scalable System for Visual Analysis of Ocean Data
Authors: Jain Toshit , Singh Upkar , Singh Varun , Boda Vijay Kumar , Hotz Ingrid , Vadhiyar Sathish S. , Vinayachandran P. N. , Natarajan Vijay 
Published: January 2025

AbstractOceanographers rely on visual analysis to interpret model simulations, identify events and phenomena, and track dynamic ocean processes. The ever increasing resolution and complexity of ocean data due to its dynamic nature and multivariate relationships demands a scalable and adaptable visualization tool for interactive exploration. We introduce pyParaOcean, a scalable and interactive visualization system designed specifically for ocean data analysis. pyParaOcean offers specialized modules for common oceanographic analysis tasks, including eddy identification and salinity movement tracking. These modules seamlessly integrate with ParaView as filters, ensuring a user‐friendly and easy‐to‐use system while leveraging the parallelization capabilities of ParaView and a plethora of inbuilt general‐purpose visualization functionalities. The creation of an auxiliary dataset stored as a Cinema database helps address I/O and network bandwidth bottlenecks while supporting the generation of quick overview visualizations. We present a case study on the Bay of Bengal to demonstrate the utility of the system and scaling studies to evaluate the efficiency of the system.
Impact of Implant Mesiodistal Distance on Peri‐Implant Bone Loss: A Cross‐Sectional Retrospective Study
Authors: Liu Wenwen , Zhu Fangyu , Han Lu , Li Pei , Wang Hom‐Lay 
Published: January 2025

ABSTRACTPurposeThe purpose of this study was to verify the effect of our previously proposed mesiodistal distance for multiple posterior implants on preserving peri‐implant bone, and to provide a measurable criterion for predicting implant prognosis.MethodsOne hundred and two patients with dental implants placed in the posterior free‐end edentulous arches were recruited in this cross‐sectional study. Calibrated X‐rays (peri‐apical [PA] or bite‐wing x‐ray) were collected to measure the mesiodistal space as well as the corresponding bone resorption of implants after prosthesis placement. Implants were assigned to the test/control group according to whether their mesiodistal distance following our proposed algorithm. After adjusting covariates, logistic multivariate regression analyses were performed to examine the relationship between inter‐implant distance and marginal bone loss (MBL) during each follow‐up interval. The effect of smoking habits was also analyzed.ResultsEvery observation period exhibited great significance between experimental and control group on peri‐implant bone level (p = 0.006, 0.005, 0.001, 0.025, 0.001, correspondingly) and the difference had a tendency to grow as time went by except 4‐year (MD = −0.19, −0.39, −0.43, −0.30, −1.26, correspondingly). While no significant difference was observed between smokers and nonsmokers in the same group (p > 0.05).ConclusionThe mesiodistal algorithm of 4–4.6 mm (implant to adjacent canine tooth), 7–7.4 mm, 8–8.5 mm, and 9–9.5 mm was proved to be effective for maintaining peri‐implant bone level. It was also observed in our study that the impact of inter‐implant distance outweighed that of smoking. This study provided clinicians predictable prognostic outcomes for implants and reference for deciding treatment plans.
Unveiling the Potential: Artificial Intelligence's Negative Impact on Teaching and Research Considering Ethics in Higher Education
Authors: Nadim Muhammad Amin , Di Fuccio Raffaele 
Published: January 2025

ABSTRACTHigher education has witnessed remarkable technological advancements; however, the rapid rise of generative artificial intelligence (Gen AI) presents substantial challenges for teaching and research. This growing reliance has expanded educators' roles, underscoring the need for ethical and selective AI integration while preparing students and researchers for an AI‐driven future. Adopting an argumentative perspective, this article analyzes core insights from comparative literature and key reports that highlight Gen AI's potential to diminish critical thinking and negatively impact educational outcomes. Although Gen AI holds transformative promise, its swift expansion raises significant concerns about its long‐term implications for education. This research emphasises the need to address Gen AI's drawbacks, advocating for greater awareness and equitable educational practices that support both teaching and learning in academic contexts. Ultimately, the article calls for professional development to equip educators with responsible AI skills, fostering a balanced and ethical approach to Gen AI integration in higher education.
Job loss and reemployment of newly diagnosed people with epilepsy: A nationwide cohort study
Authors: Han Su‐Hyun , Park Sang Min , Yum Sujin , Moon Hye‐Jin , Lee Hyesung , Lee Seo‐Young , Lee Sang‐Ahm 
Published: January 2025

AbstractObjectiveEpilepsy has negative socioeconomic impacts on those affected, resulting not only from actual disability but also from social stigma. However, longitudinal studies examining occupational consequences following an epilepsy diagnosis are limited. We aimed to investigate the occupational outcomes of newly diagnosed epilepsy among Korean employees.MethodsWe conducted a nationwide population‐based retrospective cohort study using the Korean National Health Insurance Service database. We included newly diagnosed people with epilepsy (PWE) aged 25 to 54 years, identified by diagnostic codes and antiseizure medication (ASM) prescriptions, who were employed at diagnosis between 2004 and 2018. The employment status of PWE was determined based on their enrollment in the employer‐provided health insurance scheme. We analyzed the rates of job loss and reemployment, associated factors, and income changes following diagnosis.ResultsAmong the 13 122 newly diagnosed PWE, the overall first‐year job loss rate across the study period was 21.7%, which was 1.62–2.54 times higher than that of the general population for each year. The excesses of job loss among PWE in safe occupations were comparable to those in safety‐sensitive occupations. Central nervous system illness (adjusted hazard ratio [aHR] = 1.12), psychiatric disease (aHR = 1.19), ≥2 emergency room visits or hospitalizations (aHR = 3.00), and ≥4 ASM attempts (aHR = 1.26) increased the risk of job loss. Among individuals who lost their job during the first year, 22.4% were reemployed within 1 year, with similar risk factors hindering reemployment. The income distribution of regained jobs showed a downward shift compared to previous jobs.SignificanceNewly diagnosed PWE were at risk of job loss, irrespective of the occupational hazards related to seizures. Poor disease control and comorbidities partially contributed to unemployment. Alongside active seizure management, guidance for suitable occupations and the implementation of tailored restrictions based on occupational risk stratification are imperative to improve the job security of PWE.
Enhancing Fracture Performance of Non‐Conductive Composite Adhesively Bonded Joints With Magnetically Aligned MWCNT/Fe₃O₄ Hybrid Nanofillers
Authors: Ghanbari Yousef , Fatolahi Amir Reza , Khoramishad Hadi 
Published: January 2025

ABSTRACTThe Mode‐I fracture behavior of non‐conductive composite adhesively bonded joints (ABJs) reinforced with multi‐walled carbon nanotube/iron oxide (MWCNT/Fe₃O₄) hybrid nanofillers aligned in different directions was studied using double cantilever beam (DCB) tests. Fe₃O₄ nanoparticles were chemically coated onto MWCNTs to explore the practical potential of these produced magnetically controllable nanofillers in high‐tech industries that require precise nanofiller alignment in specific directions. Nanofillers were aligned within the ABJ adhesive layer using a low magnetic field at 0°, 45°, and 90° relative to the crack growth path, verified by Raman spectroscopy. ABJs with 90° alignment exhibited the highest fracture energy, surpassing unreinforced and randomly dispersed specimens by 136% and 41%, respectively. In contrast, 0°‐alignment showed the lowest fracture energy, while 45° alignment demonstrated intermediate performance. Cohesive zone modeling simulated the ABJ damage behavior, and the effects of nanofiller alignment on macro and microscale fracture mechanisms were assessed using optical and scanning electron microscopy.
The Kids Pain Collaborative: A Hybrid Type 3 Implementation Effectiveness Study Transforming Paediatric Pain Care in the Emergency Department
Authors: Williams Suzanne , Keogh Samantha , Herd David , Riggall Sharonn , Glass Roselyn , Slaughter Eugene , Jones Lee , Douglas Clint 
Published: January 2025

ABSTRACTAimTo evaluate the impact of a participatory, action‐oriented implementation study, guided by the integrated Promoting Action on Research Implementation in Health Services framework, for optimising pain care processes in a tertiary paediatric emergency department.DesignHybrid type 3 implementation effectiveness.MethodsA collaborative appraisal of the context and culture of pain care informed two interdependent action cycles: Enabling nurse‐initiated analgesia and involving families in pain care. The Kids Pain Collaborative, an authentic clinical–academic partnership, was central to facilitating successful implementation. Summative evaluation explored the impact of implementation on processes of pain care using an interrupted time series analysis and emotional touchpoint interviews with families.ResultsStaff achieved clinically important and sustained improvements in the rate of nurse‐initiated analgesia and pain assessment. Family involvement in pain care shifted from task‐orientated practices towards more person‐centred ways of working and decision‐making. As capacity for collective leadership developed, frontline staff found ways to integrate the KPC approach into ED systems to lead pain care innovation beyond the life of the research project.ConclusionsThe Kids Pain Collaborative, as the overarching implementation strategy, created a practitioner‐led coalition for change. Successful implementation was facilitated by working with four interdependent principles: Collaborative and authentic engagement; enabling context for cultural transformation; creating safe spaces for critical reflection and workplace learning; and embedding sustainable practice change.ImpactA multi‐level model of internal–external facilitation enabled sustained improvement in pain care practice. An embedded researcher was pivotal in this process.Patient ContributionAuthentic engagement of clinicians and families was pivotal in transforming systems of pain care and enabling a culture where "it is not ok for children to wait in pain"Implications for PracticeThe principles underpinning the Kids Pain Collaborative are transferable to other emergency department and acute care contexts.Reporting MethodStandards for Reporting Implementation Studies checklist.
The Development and Feasibility Testing of the Nurse‐Led Transitioning Adolescents Off Cancer Treatment (TACT) Intervention
Authors: Larsen Elna Hamilton , Ålykkja Anette , Mellblom Anneli Viktoria , Ruud Ellen , Wahl Astrid Klopstad , Lie Hanne C. 
Published: January 2025

ABSTRACTAimTo develop and assess the feasibility of a nurse‐led intervention aimed at improving the transition from cancer treatment to survivorship for adolescents by providing personalised information and psychosocial and self‐management support.DesignIntervention development through co‐creation with adolescent patients with cancer, their parents and health care professionals, based on the MRC framework and qualitative feasibility testing.MethodsThe intervention development involved three steps: (a) identifying the problem through interviews with key stakeholders and by reviewing existing evidence on transition tools and practices; (b) designing the intervention through co‐creation workshops with stakeholders and (c) assessing feasibility, acceptability and participants' experiences of the intervention through interviews with adolescents, parents, healthcare professionals and teachers.ResultsThe Transitioning Adolescents with Cancer off Treatment (TACT) intervention was developed, and feasibility was tested between October 2021 and October 2022. TACT included two nurse‐led consultations addressing transition concerns and a videoconference with local support networks to inform and activate stakeholders. Communication tools were developed and successfully used to address adolescents' needs, tailor information and support self‐management.ConclusionThe nurse‐led TACT intervention appears feasible and acceptable for clinical practice, with no major changes needed. Participants reported that the intervention helped prepare adolescent cancer patients to transition to survivorship by providing tailored information and psychosocial and self‐management support.ImpactDespite high survival rates of childhood cancers and the growing awareness of the challenges adolescents and their families face when transitioning off treatment to survivorship, few interventions are available. The novel TACT intervention indicates that nurses are well‐positioned to provide broad, tailored care addressing survivors' multi‐faceted needs and challenges associated with this transition.Report MethodConsolidated criteria for reporting qualitative research (COREQ).Patient or Public ContributionAdolescent survivors, their parents, nurses and physicians involved in their care contributed through co‐creation groups, contributing feedback that shaped and refined the TACT intervention.
Recommendations for Mental Health Chatbot Conversations: An Integrative Review
Authors: Nieminen Heidi , Vartiainen Anna‐Kaisa , Bond Raymond , Laukkanen Emilia , Mulvenna Maurice , Kuosmanen Lauri 
Published: January 2025

ABSTRACTAimTo identify and synthesise recommendations and guidelines for mental health chatbot conversational design.DesignIntegrative review.MethodsSuitable publications presenting recommendations or guidelines for mental health conversational design were included. The quality of included publications was assessed using Joanna Briggs Institute Critical Appraisal Tools. Thematic analysis was conducted.Data sourcesPrimary searches limited to last 10 years were conducted in PubMed, Scopus, ACM Digital Library and EBSCO databases including APA PsycINFO, CINAHL, APA PsycArticles and MEDLINE in February 2023 and updated in October 2023. A secondary search was conducted in Google Scholar in May 2023.ResultsOf 1684 articles screened, 16 publications were selected. Three overarching themes were developed: (1) explicit knowledge about chatbot design and domain, (2) knowing your audience and (3) creating a safe space to engage. Results highlight that creating pleasant and effective conversations with a mental health chatbot requires careful and professional planning in advance, defining the target group and working together with it to address its needs and preferences. It is essential to emphasise the pleasant user experience and safety from both technical and psychological perspectives.ConclusionRecommendations for mental health chatbot conversational design have evolved and become more specific in recent years. Recommendations set high standards for mental health chatbots. To meet that, co‐design, explicit knowledge of the user needs, domain and conversational design is needed.Implications for the Profession and/or Patient CareMental health professionals participating in chatbot development can utilise this review. The results can also inform technical development teams not involving healthcare professionals directly.ImpactKnowledge of developing mental health chatbot conversations appears scattered. In mental health chatbots, features that enhance the chatbot's ability to meet users' needs and increase safety should be considered. This review is useful for developers of mental health chatbots and other health applications used independently.Reporting MethodThis integrative review was reported according to PRISMA guidelines, as applicable.Patient or Public ContributionNo patient or public contribution.
Molar Incisor Hypomineralization and Periodontitis in Adolescents: A Population‐Based Study
Authors: Franco Marcela Mayana Pereira , Ribeiro Cecilia Claudia Costa , Ladeira Lorena Lúcia Costa , Brondani Mario Augusto , Thomaz Erika Bárbara Abreu Fonseca , Alves Cláudia Maria Coelho 
Published: January 2025

ABSTRACTAimTo investigate the association between molar incisor hypomineralization (MIH) and periodontitis in adolescents.MethodsA population‐based study was undertaken of Brazilian adolescents aged 18 and 19 years (n = 2515). MIH was assessed according to Ghanim's criteria. The outcomes were Periodontitis Indicators, a continuous latent variable estimated on the basis of the common variance shared by the indicators bleeding on probing (BoP), probing pocket depth (PPD ≥ 4 mm) and clinical attachment level (CAL ≥ 3 mm), as well as periodontitis cases defined according to CDC‐AAP. Structural equation modelling was used, and the models were adjusted for lower socioeconomic status, sex, smoking, triglycerides/high‐density lipoprotein (TG/HDL) (mg/dL) and visible plaque index. Two other approaches were used for sensitivity analysis: (i) logistic regression, considering the effect of MIH on periodontitis (CDC/AAP) at the individual level, and (ii) multilevel regression to evaluate the association of MIH with CAL and PPD, considering the tooth as the unit of analysis, adjusted for other tooth‐level and individual‐level variables.ResultsThe prevalence of MIH was 16.86% (n = 423). Individuals with MIH had higher values of the Periodontitis Indicators through a direct pathway (standardized coefficient [SC] = 0.193, p < 0.001) and indirectly mediated by biofilm (SC = 0.263, p < 0.001). MIH was also associated with periodontitis according to CDC‐AAP (SC = 0.071, p < 0.001) and indirectly mediated by biofilm (SC = 0.344, p < 0.001). Consistently, lower socioeconomic status, sex, TG/HDL and biofilm were associated with both periodontal outcomes. Tooth‐level sensitivity regression analysis confirmed the association observed in individual‐level analyses.ConclusionOur findings suggest that adolescents with MIH are susceptible to periodontitis, and it is therefore important to monitor their periodontal health.
Impacts of Time‐to‐Freeze on Quality Attributes of Low‐Moisture Part‐Skim Mozzarella Cheese
Authors: Bunker Helen , Chandran Monisha , Vishwakarma Siddharth , Heldman Dennis R. , Maleky Farnaz 
Published: January 2025

ABSTRACTThis research investigated the effect of time‐to‐freeze (TTF) on key quality attributes of low‐moisture part‐skim (LMPS) Mozzarella cheese, including browning, free oil formation and meltability. Thin slabs (4‐mm) of LMPS Mozzarella were frozen at four different rates: in a still air freezer (−22°C), in a non‐isothermal blast freezer (−30°C), in a temperature‐controlled bath (−30°C), and in an ethanol‐dry ice bath (−70°C), with TTF ranging from 0.4 to 95 min. Numerical simulations of the transient heat conduction equation provided temperature profiles that were compared with the experimental data for all freezing methods. Frozen samples were stored at −22°C for 15–18 h, then thawed and analyzed for browning, free oil formation, and meltability using spectrophotometry and modified Schreiber tests. TTF variations did not significantly affect the quality attributes, but samples with a TTF of 95 min had higher levels of free surface water compared to unfrozen cheese. The formation of free surface oil increased significantly after TTF durations of 1.2, 19, and 95 min compared to unfrozen samples. Surface browning decreased after 95 min, likely due to the higher free water content. Rapid freezing methods, such as the ethanol‐dry ice bath (−70°C), are effective for quick freezing, but the still air freezer yielded better quality cheese. Cheese frozen in a still air freezer exhibited less redness (a*) and more lightness (L*), indicating reduced surface browning. Additionally, it retained more free surface water, enhancing the structural integrity and overall quality of LMPS Mozzarella.