bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mortality trends in suicide among pediatric and adolescent patients aged 15–24 years in Mississippi, 2012–2022
Authors: Jones Elizabeth 
Published: December 2024

AbstractDue to the lack of studies examining suicide trends and its implications on pediatric populations, this study aimed to address the gap in research and to identify the magnitude and the impact of suicide by exploring trends in suicide among Mississippians from 2012 to 2022. The study uses data from the Mississippi Statistically Automated Health Resource System, which is an online database with data collected from vital statistics. Joinpoint regression models were used to calculate annual percentage change (APC) and average annual percentage change (AAPC) as an indicator of trends. The overall age‐adjusted suicide rate increased from 9.4 deaths per 100,000 in 2012 to 10.8 deaths per 100,000 in 2022 for pediatric and adolescent patients aged 15–24 years (14.9% increase). There are upward trends for females (AAPC, 6.33%, 95% CI, −0.82%–16.82%), Blacks (AAPC, 7.72%, 95% CI, 2.19%–16.47%), and other races (AAPC, 7.59%, 95% CI, −0.83%–21.47%). Males had a downward trend from 2015 to 2022 (APC, −1.46%, 95 CI, −14.05%–1.35%). Whites also had a downward trend from 2017 to 2022 (APC, 4.74%, 95% CI, −15.42% to −0.96%). This study identified an overall increase in suicide. However, trends varied by gender, race, and age. Based on the findings, Mississippi needs more initiatives aimed toward equitable prevention of suicide among youth and the implementation of gun control policies. By implementing these measures, Mississippi could tremendously benefit and improve mental health outcomes and reduce suicide within the state.
Design, synthesis and antifungal activity of novel vanillin derivatives containing thiazole and acylhydrazone moieties
Authors: Li Ding , Yao Xiaofang , Wang Wei‐Wei , Wang Yu , Wu Wenjun , Hu Zhaonong 
Published: December 2024

AbstractBACKGROUNDThe potential application of vanillin as a fungicide has garnered significant attention in the agricultural product market and food industries. Consequently, a novel series of vanillin derivatives containing thiazole and hydrazone fragments were strategically designed, synthesized, and evaluated for their antifungal activity against six representative plant phytopathogenic fungi.RESULTSIn the in vitro antifungal assay, some title vanillin derivatives showed good antifungal activity against Botrytis cinerea, Fusarium solani, and Magnaporthe grisea. Significantly, compound 4a exhibited remarkable broad‐spectrum fungistatic potency and displayed the most potent antifungal activity against B. cinerea and F. solani, with half maximal effective concentration (EC50) values of 1.07 and 0.78 μg/mL, respectively, substantially surpassing the efficacy of the commercial fungicide hymexazol and comparable to carbendazim. In addition, compound 4k selectively inhibited M. grisea with the lowest EC50 value of 7.77 μg/mL. The in vivo antifungal assay revealed that compound 4a exhibited superior protective efficacy against B. cinerea compared to carbendazim. At the same time, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and fluorescent dye staining showed compound 4a exerted its fungicidal activity by damaging the cell wall, cell membrane and mitochondria of B. cinerea.CONCLUSIONModification of vanillin through electron‐withdrawing group substitution and hydrophobic substitution, followed by condensation with thiazole‐4‐carbohydrazide, could result in highly active antifungal derivatives. Among them, compound 4a, which exhibited excellent inhibitory activities in vitro and in vivo, could potentially serve as a lead compound. © 2024 Society of Chemical Industry.
Accelerating virtual patient generation with a Bayesian optimization and machine learning surrogate model
Authors: Iwata Hiroaki , Saito Ryuta 
Published: December 2024

AbstractThe pharmaceutical industry has increasingly adopted model‐informed drug discovery and development (MID3) to enhance productivity in drug discovery and development. Quantitative systems pharmacology (QSP), which integrates drug action mechanisms and disease complexities to predict clinical endpoints and biomarkers is central to MID3. QSP modeling has proven successful in metabolic and cardiovascular diseases and has expanded into oncology, immunotherapy, and infectious diseases. Despite its benefits, QSP model validation through clinical trial simulations using virtual patients (VPs) is challenging because of parameter variability and high computational costs. To address these challenges, this study proposes a hybrid method that combines Bayesian optimization with machine learning for efficient parameter screening. Our approach achieved an acceptance rate of 27.5% in QSP simulations, which is in sharp contrast with the 2.5% rate of conventional random search methods, indicating more than 10‐fold improvement in efficiency. By facilitating faster and more diverse VPs generation, this method promises to advance clinical trial simulations and accelerate drug development in pharmaceutical research.
Real Effect or Bias? Good Practices for Evaluating the Robustness of Evidence From Comparative Observational Studies Through Quantitative Sensitivity Analysis for Unmeasured Confounding
Authors: Faries Douglas , Gao Chenyin , Zhang Xiang , Hazlett Chad , Stamey James , Yang Shu , Ding Peng , Shan Mingyang , Sheffield Kristin , Dreyer Nancy 
Published: December 2024

ABSTRACTThe assumption of “no unmeasured confounders” is a critical but unverifiable assumption required for causal inference yet quantitative sensitivity analyses to assess robustness of real‐world evidence remains under‐utilized. The lack of use is likely in part due to complexity of implementation and often specific and restrictive data requirements for application of each method. With the advent of methods that are broadly applicable in that they do not require identification of a specific unmeasured confounder—along with publicly available code for implementation—roadblocks toward broader use of sensitivity analyses are decreasing. To spur greater application, here we offer a good practice guidance to address the potential for unmeasured confounding at both the design and analysis stages, including framing questions and an analytic toolbox for researchers. The questions at the design stage guide the researcher through steps evaluating the potential robustness of the design while encouraging gathering of additional data to reduce uncertainty due to potential confounding. At the analysis stage, the questions guide quantifying the robustness of the observed result and providing researchers with a clearer indication of the strength of their conclusions. We demonstrate the application of this guidance using simulated data based on an observational fibromyalgia study, applying multiple methods from our analytic toolbox for illustration purposes.
Using action research to examine multi‐tiered systems of support in an elementary school in a post‐COVID era
Authors: Taylor Dalena Dillman , Frank Alexandra M. , Frawley Caitlin 
Published: December 2024

AbstractThe COVID‐19 pandemic presented unprecedented learning loss for all students. Although researchers have indicated negative impacts across all age and demographic groups, learning loss is most pronounced in elementary school‐aged students and those from low SES backgrounds. Given the disproportionate impact of the COVID‐19 pandemic, the authors utilise multi‐tiered systems of support to provide targeted support to identified elementary students in an urban school in the south‐east United States. This study explores the efficacy of the tiered intervention (Tier I: social–emotional learning instruction, Tier II: Mentoring, and Tier III: Play Therapy) using third‐person action research design and the authors explore a quantitative analysis of pre‐ and post‐achievement data, as measured by state achievement reading and maths scores. Finally, the authors describe future directions for researchers interested in applying a similar tiered intervention to respond to learning deficits resulting from the COVID‐19 pandemic.
A Nonparametric Regression Calibration for the Accelerated Failure Time Model With Measurement Error
Authors: Huang Yih‐Huei , Wu Chien‐Ying 
Published: December 2024

ABSTRACTAccelerated failure time models are appealing due to their intuitive interpretation. However, when covariates are subject to measurement errors, naive estimation becomes severely biased. To address this issue, the regression calibration (RC) approach is a widely applicable and effective method. Traditionally, the RC method requires a good predictor for the true covariate, which can be obtained through parametric distribution assumptions or validation datasets. Consequently, the performance of the estimator depends on the plausibility of these assumptions. In this work, we propose a novel method that utilizes error augmentation to duplicate covariates, facilitating nonparametric estimation. Our approach does not require a validation set or parametric distribution assumptions for the true covariate. Through simulation studies, we demonstrate that our approach is more robust and less impacted by heavy censoring rates compared to conventional analyses. Additionally, an analysis of a subset of a real dataset suggests that the conventional RC method may have a tendency to overcorrect the attenuation effect of measurement error.
Synthesis, DFT, In Silico ADME, and Antimicrobial Study of New 2‐(aryl)‐5‐(3‐(difluoromethyl)‐1‐methyl‐1H‐pyrazol‐4‐yl)‐1,3,4‐Oxadiazoles
Authors: Dhonnar Sunil L. , Buchude Samadhan S. , Sargade Vaibhav N. , Adole Vishnu A. , Sadgir Nutan V. 
Published: December 2024

AbstractThe rise of drug‐resistant infections highlights the critical need to discover novel drugs to combat them. In this study, we present the synthesis of a novel 2‐(aryl)‐5‐(3‐(difluoromethyl)‐1‐methyl‐1H‐pyrazol‐4‐yl)‐1,3,4‐oxadiazole compounds (3a–b) using benzohydrazide (1a–b) and 3‐(difluoromethyl)‐1‐methyl‐1H‐pyrazole‐4‐carboxylic acid (2). The structures of compounds were confirmed by FT‐IR, 1H‐NMR, 13C‐NMR, and HRMS characterizations. DFT calculations were performed using B3LYP/6–311G(d,p) method. The HOMO‐LUMO energy gap, reactivity parameters, and Mulliken atomic charges were determined and discussed. The electrostatic potential surface was mapped to identify active sites in compounds. The electronic absorption spectra were obtained in a chloroform solvent, and the Uv‐vis band assignments were discussed through TD‐DFT simulations. The results obtained from the experiment correspond well with the theoretical DFT analysis. The assessment of synthesized compounds (3a–b) antimicrobial properties is another aspect of the current investigation. Compound 3a was equally efficient as chloramphenicol against E. coli, P. aeruginosa, and S. pyogenes. However, limited antifungal activity was observed for both compounds. The Molinspiration ADME online tool examines drugs likeness properties.
Corrosion Inhibition of Mild Steel by Plumeria rubra Flower Extract: Electrochemical and Computational Study
Authors: Kotupalli Mastan Rao , Sahini Mtabazi Geofrey , Pulapa Venkata Kanaka Rao , Elisadiki Joyce 
Published: December 2024

AbstractThe corrosion inhibition efficiency of Plumeria rubra flower extract (PRFE) on 5LX70 mild steel in 4% NaCl aqueous medium was studied by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), and density functional theory (DFT). The PRFE was analyzed by FTIR for the confirmation of functional groups in the extract molecules. EIS and PDP methods indicated that the corrosion inhibition was increased with an increase in the concentration of inhibitor, with a surface area coverage of 90.12%. Polarization results revealed that PRFE is a mixed‐type inhibitor. A maximum corrosion inhibition of 90.98% was achieved at 120 ppm of extract concentration. Quantum chemical parameters of the inhibitor molecules were calculated using the DFT method to ascertain the relation between the parameters and inhibition efficiency. Molecular descriptors like HOMO, LUMO, energy gap, absolute electronegativity, electrostatic surface potential, and so on, were determined, and found that the inhibitor molecules favorably formed a protective layer on the metal surface. The Mulliken charge analysis of the constituent atoms of selected PRFE molecules further supported in identifying the active sites for binding with the mild steel surface. Experimental results have confirmed that PRFE is a good corrosion inhibitor for mild steel which was further affirmed by the computational study.
Anticancer Potential of Quinazoline Derivatives Modified with Hydrazones and Triazoles Against MG‐63 Cancer Cell Line
Authors: Kumar Ravinder , Kumar Ashish , Kamal Raj , Kumar Ajay , Kaur Satwinderjeet 
Published: December 2024

AbstractAntiproliferative potential of quinazoline flanked bis‐hydrazones and quinazoline fused bis‐triazoles against human bone cancer cell line (MG‐63) have been described in the present work. A series of 2,4‐bis(2‐(E)‐arylidenehydrazinyl)quinazolines 5a–5n have been synthesized by refluxing 2,4‐dihydrazinylquinazoline with respective benzaldehyde derivatives. Thereafter, these bis‐hydrazone derivatives 5a–5n have been cyclized to corresponding 3,7‐diarylbis([1,2,4]triazolo)[4,3‐a][4′,3′‐c]quinazolines 6a–6n by using bis(trifluoroacetoxy)iodobenzene (PIFA) as oxidant. All the synthesized bis‐hydrazones 5a–5n and bis‐triazoles 6a–6n were tested for their in vitro anticancer potential against human bone cancer cell line, i.e., MG‐63. These compounds demonstrated moderate to significant cytotoxic activities against the tested cancer cell line comparable to camptothecin as a standard. However, the bis‐hydrazones, 5i and 5n displayed potent antiproliferative properties with GI50 values of 114.31 µM and 136.95 µM, respectively and bis‐triazoles, 6i and 6k may be considered as potent antiproliferative agents with their GI50 values 137.69 µM and 124.26 µM, respectively.
Adjusting Interface Action and Spacing for Control of Particle Potential
Authors: Qin Mian , Ren Jiangsong , Cheng Jiamin , Gao Ruisi , Li Linli , Wang Yao , Bai Pengfei , Li Hao , Zhou Guofu 
Published: December 2024

AbstractAs the core issue of physical chemistry, how to acquire, control, even adjust surface charging of colloidal particle is far from being completely understood. So poly(lauryl methacrylate) (PLMA) is first introduced with different chain lengths onto crude anatase titanium dioxide (TiO2) nanoparticles (150–200 nm) through two‐step surface modification. Along with rising basic nonionic polyisobutylene succinimide (PIBS) concentration, those modified TiO2 nanoparticles (TiO2‐NH‐PLMA) with the low grafting amount (0.33–4.86 wt.%) and the short chain of the grafted PLMA fragments (layer thickness: 3.0–6.9 nm) underwent charge reversal from being positively to negatively charged in nonpolar isododecane solution. And the more modified ones (PLMA grafting amount: 11.10%; layer thickness: 9.5 nm) remained original electropositivity under same conditions. Based on molecular dynamics simulation, once the repeating unit number exceeds 12, these long grafted PLMA chains will bring about strong steric hindrance to increase interface spacing and weaken interface action against PIBS absorption. This may propose a unique strategy for adjusting or stabilizing surface potential of colloid particles by grafted polymer chains. It is anticipated to provide a facile, precise, and promising control to electronic ink for electrophoretic display.
Coeliac artery compression syndrome as a rare cause of recurrent abdominal pain
Authors: Tan Ming 
Published: December 2024

AbstractCoeliac artery compression syndrome is a rare cause of recurrent abdominal pain. This article describes two cases of coeliac artery compression syndrome that initially diagnosed on ultrasound. Follow by the subsequence CT or MRI angiography that confirmed the diagnosis. This article also discussed the ultrasound diagnosis criteria, and treatment options of coeliac artery compression syndrome. With additional knowledge of the clinical symptoms and ultrasound presentations of coeliac artery compression syndrome can help sonographers to diagnose this condition in the clinical settings.
The Complementarity of Programme Logic and Critical Systems Heuristics: Critical Systems Practice for the Evaluation of Emergency Relief in Australia
Authors: McKenna Patrick 
Published: December 2024

ABSTRACTThe research aim was to improve the outcomes of Australia's Emergency Relief programme by applying the multiperspective multimethodological critical systems thinking and practice. Emergency Relief was designed as a short‐term intervention to assist people facing a financial crisis; however, it was evident and considered problematic that many beneficiaries had an ongoing reliance on the programme. The application of programme logic, the prevailing best practice approach to social services design and evaluation in Australia, demonstrated its strength by revealing opportunities to improve service delivery models through staff training, referral systems, colocation and case management. The application of critical systems heuristics revealed that unintended adverse consequences could result from ‘payment by outcomes’ commissioning and welfare conditionality. The research makes a methodological contribution to systems and evaluation literature by demonstrating the complementarity of programme logic and critical systems heuristics, and the strength in the multiperspective multimethodological approach of critical systems thinking and practice.
Globalization, Climate Change, and Compound Health Risks in the Era of COVID-19 Pandemic: The Case of the GCC
Authors: Belaïd Fateh , Amine Razan 
Published: December 2024

AbstractCOVID-19 served as a stark reminder of the economic devastation caused by poor preparedness for systemic risks. This lack of preparation triggered a domino effect, leading to an economic downturn, soaring debt, and supply chain disruption. The unprecedented global scale of this pandemic has accentuated multiple challenges with risk reduction and capacity to respond, both in the developed world and in the least developed countries. This chapter delves into the interconnectedness of globalization, public health risks, and climate change. First, we review the relationship between globalization and health risks. Subsequently, we explore the potential link between climate change and pandemics. Then, leveraging this understanding of interconnected global challenges, we analyze the response of GCC countries to the COVID-19 pandemic. The analyses show that the COVID-19 pandemic is an unprecedented test of policymakers’ ability to handle composite risks as climate uncertainties disrupt global epidemic responses. Although short-term measures can play a role in minimizing climate-induced loss of life, climate adaptation necessitates a long-term strategy toward pandemic preparedness as well. In the wake of the pandemic, leading economies should shift their focus away from short-term economic benefits that could undermine ecosystems and their services to society. On the contrary, this pandemic can serve as a starting point for a transformation to achieve sustainable development that merges environmental, economic, and social considerations.
A Review Approach to Understanding the Current Status of Port Resilience: Lessons Learned for GCC Ports
Authors: Anwar A. H. M. Mehbub , Nezamuddin Nora N. 
Published: December 2024

AbstractSeaborne trade is responsible for the majority of global commerce by volume, and key logistics trade centers are typically located near coastal areas. Ports are fundamental agents of the maritime transportation system, serving as the point of entry and exit for most imported and exported goods. Ports play an important role as key nodes in multimodal transportation systems, making the connection between maritime and hinterland networks. Today, the resilience of ports is increasingly challenged by disruptive and extreme events such as geopolitical strife, adverse weather, pandemics, changing patterns of trade and sea routes, and the rise in sea levels. Achieving resiliency is an important factor for the greater attractiveness of maritime services and port sustainability, which requires infrastructure investments and the adoption of innovative and flexible practices. Currently, the literature surrounding the impacts of extreme events and unforeseen disruptions on maritime transport and ports remains novel. This body of work seeks to contribute to the understanding of resilient ports by reviewing the existing literature and gathering insights on how port resiliency can be applied in the Gulf Cooperation Council (GCC) region by identifying gaps of knowledge that can be explored.
Building Resilient Cities with Integrated Resiliency Analyses
Authors: Hummel John R. , Schneider Jennifer L. , Lewis L. Paul 
Published: December 2024

AbstractFrom a regional development perspective, making our communities and regions more resilient to disruptions, whether from natural or human-induced events, is imperative, not only to preserve our way of life, and life itself, but also to limit our long-term global expenditures related to climate change–related disasters, both slow-moving and sudden. There is concern over the potential for more frequent and more intense weather-related disruptions; however, our ability to assess our current state and our potential to increase our long-term resilience capability is critical to attaining and maintaining community resilience.In this chapter, we present a general discussion of the foundational characteristics of community resilience and why a systems-level view of resilience is required to study, model, and assess community resilience. We also explore interconnections and dependencies among community systems, how a change in one component can have cascading impacts, and the importance of including the populations who are ultimately impacted by these issues in the discussion. We discuss how resilience can be assessed and present case examples for emergency response systems assessment. Finally, we frame the Gulf Cooperation Council (GCC) regional pandemic experience and then pose specific COVID-19 local pandemic case studies focused on the United States and explore how similar methodologies may be applied to assess capacity of communities in the GCC.