bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pyrrole: A Decisive Scaffold for the Development of Therapeutic Agents and Structure‐Activity Relationship
Authors: Ganesh Bharathi Hassan , Raj Anirudh G. , Aruchamy Baladhandapani , Nanjan Pandurangan , Drago Carmelo , Ramani Prasanna 
Published: November 2023

AbstractAn overview of pyrroles as distinct scaffolds with therapeutic potential and the significance of pyrrole derivatives for drug development are provided in this article. It lists instances of naturally occurring pyrrole‐containing compounds and describes the sources of pyrroles in nature, including plants and microbes. It also explains the many conventional and modern synthetic methods used to produce pyrroles. The key topics are the biological characteristics, pharmacological behavior, and functional alterations displayed by pyrrole derivatives. It also details how pyrroles are used to treat infectious diseases. It describes infectious disorders resistant to standard treatments and discusses the function of compounds containing pyrroles in combating infectious diseases. Furthermore, the review covers the uses of pyrrole derivatives in treating non‐infectious diseases and resistance mechanisms in non‐infectious illnesses like cancer, diabetes, and Alzheimer's and Parkinson's diseases. The important discoveries and probable avenues for pyrrole research are finally summarized, along with their significance for medicinal chemists and drug development. A reference from the last two decades is included in this review.
Lygus Bug and Alfalfa Weevil Insecticide Resistance in the Pacific Northwest
Authors: Walsh Doug , Waters Tim , Adesanya Adekunle 
Published: November 2023

AbstractIn Washington State, east of the Cascade Mountains, alfalfa is grown for seed and forage. Alfalfa weevils are the primary defoliators of alfalfa grown for forage and seed, and Lygus bugs are the key direct pest in alfalfa seed production in the Pacific Northwest. Both alfalfa weevil and Lygus bugs are controlled by insecticide applications. Some levels of insecticide resistance have been observed in recent years. This article reports on a series of experiments that were conducted to quantify the resistance status of Lygus bugs and alfalfa weevils to several insecticides in Washington State. Earn 1.5 CEUs in Integrated Pest Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Ergot in Pacific Northwest Grass Seed Crops
Authors: Dung Jeremiah K.S. 
Published: November 2023

AbstractErgot is a floral disease of grasses and a persistent problem in many cool‐season grass seed production systems. The disease is particularly important and challenging in irrigated perennial ryegrass and Kentucky bluegrass seed production systems in Oregon and Washington. This article will discuss ergot biology, epidemiology, and management in grass seed crops as well as current and future research efforts. Earn 1 CEU in Integrated Pest Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Evaluation of Endoplasmic Reticulum Targeting Isoquinol‐Based BODIPY Dyes and Their Properties as Molecular Rotors
Authors: Swavey Shawn , Heidary David , Boyd Emma , Erb Jeremy 
Published: November 2023

AbstractA series of six new isoquinol‐based BODIPY dyes have been synthesized by a two‐step method. Unlike traditional synthetic methods, synthesis did not require the use of oxidizing agents or solvent. Spectroscopic, electrochemical and DFT calculations indicate that the properties associated with the six dyes are very similar with little influence of the meso‐substituents. Viscosity studies identified three of the new dyes having properties of molecular rotors for applications in the detection of changes in cellular viscosity. Incubation of the dyes with the HEK cell line show no toxicity up to 10 μM over a 72 h. period. The dyes show the ability to localize within the endoplasmic reticulum (ER) of cells. With two of the dyes showing favorable comparisons to commercially available ER dyes.
Hybrid Steroid‐[60]Fullerene as n‐Type Material for Organic Photovoltaics
Authors: Lemos Reinier , Perez‐Badell Yoana , Ortiz Orlando , Almagro Luis , Rodríguez Hortensia , Herranz María Ángeles , Suarez Margarita , Martín Nazario 
Published: November 2023

AbstractFullerene derivatives have been used as electron acceptor and transport materials in organic photovoltaics as well as in perovskite solar cells. Among them, [6,6]‐phenyl‐C61‐butyric acid methyl ester (PC61BM) has been one of the most widely used, in combination with poly‐3‐hexylthiophene (P3HT) as an electron donor semiconducting polymer, for the fabrication of organic bulk heterojunction solar cells (BHJ‐OSC). In this work, a steroid‐fullerene hybrid was synthesized through the Bingel–Hirsch reaction to compare its properties with PC61BM as the reference structure. Different spectroscopic techniques were employed to characterize the new fullerene derivative, namely 1D and 2D nuclear magnetic resonance (NMR), Fourier Transform Infrared Spectroscopy (FTIR), and high‐resolution mass spectrometry (HRMS). In addition, thermogravimetric analysis (TGA), and cyclic voltammetry were also performed. The characterization was completed by transmission electron microscopy (TEM), which explore the hybrid‘s morphology, where the presence of the steroid moiety increases the solubility of the fullerene material. DFT/PBE−D3(BJ)/6‐311G(d,p) calculations for both the steroid‐fullerene hybrid and PC61BM allowed to obtain geometry optimizations and electronic structure data. A comparative study to analyze the nature of the electronic properties of the synthesized steroid‐[60]fullerene hybrid and PC61BM with an oligomer of ten thiophene units, used in the active layer of organic solar cells, was carried out. Electron density maps using the [CIS|CNDOL/21] approach illustrate the photoexcitation of the donor followed by an electron‐charge transfer to the acceptor fullerene.
Abortion as healthcare: The adaptability of medicalization and legalization in post‐repeal anti‐abortion politics
Authors: Waltz Charlotte 
Published: November 2023

AbstractAfter a 35‐year‐long constitutional ban on abortion, the Eighth Amendment was repealed in May 2018 and the Health (Regulation of Termination of Pregnancy) Act 2018 was introduced in the Republic of Ireland. Although “Repeal” and the legalization of abortion marked a significant transformation in reproductive governance, many aspects of the new abortion policy continue to complicate abortion care access and provision. In this article, I explore the mobilizations of health and rights in political discourses on abortion after legalization. In doing so, I identify how moral governance operates in post‐Repeal abortion politics. I critically consider restrictive strategies in abortion politics in Ireland and compare these to a number of recent key anti‐abortion tactics in the United States. As such, I situate post‐Repeal and post‐Roe abortion debates within parallel temporalities of abortion governance and highlight the adaptability of discourses on health and rights in shifting legal contexts.
Establishment of a tissue‐engineered colon cancer model for comparative analysis of cancer cell lines
Authors: Hassani Iman , Anbiah Benjamin , Moore Andrew L. , Abraham Peter T. , Odeniyi Ifeoluwa A. , Habbit Nicole L. , Greene Michael W. , Lipke Elizabeth A. 
Published: November 2023

AbstractTo overcome the limitations of in vitro two‐dimensional (2D) cancer models in mimicking the complexities of the native tumor milieu, three‐dimensional (3D) engineered cancer models using biomimetic materials have been introduced to more closely recapitulate the key attributes of the tumor microenvironment. Specifically, for colorectal cancer (CRC), a few studies have developed 3D engineered tumor models to investigate cell–cell interactions or efficacy of anti‐cancer drugs. However, recapitulation of CRC cell line phenotypic differences within a 3D engineered matrix has not been systematically investigated. Here, we developed an in vitro 3D engineered CRC (3D‐eCRC) tissue model using the natural‐synthetic hybrid biomaterial PEG‐fibrinogen and three CRC cell lines, HCT 116, HT‐29, and SW480. To better recapitulate native tumor conditions, our 3D‐eCRC model supported higher cell density encapsulation (20 × 106 cells/mL) and enabled longer term maintenance (29 days) as compared to previously reported in vitro CRC models. The 3D‐eCRCs formed using each cell line demonstrated line‐dependent differences in cellular and tissue properties, including cellular growth and morphology, cell subpopulations, cell size, cell granularity, migration patterns, tissue growth, gene expression, and tissue stiffness. Importantly, these differences were found to be most prominent from Day 22 to Day 29, thereby indicating the importance of long‐term culture of engineered CRC tissues for recapitulation and investigation of mechanistic differences and drug response. Our 3D‐eCRC tissue model showed high potential for supporting future in vitro comparative studies of disease progression, metastatic mechanisms, and anti‐cancer drug candidate response in a CRC cell line‐dependent manner.
Mechanical response of shield tunnel lining under nonlinear wave and current action in sloping seabed
Authors: Zhang Zhiguo , Han Yangyang , Lv Xilin , Chen Jinpeng , Pan Yutao , Ni Yin 
Published: November 2023

AbstractWith the increasing demand for transportation construction in coastal areas, tunnel safety research is becoming increasingly important. Previous studies take less account of the nonlinear wave and current action under the sloping seabed terrain. Furthermore, there are few researches on the additional deformation of shield tunnel lining caused by wave‐current dynamic pressure. In this paper, according to the interaction theory of Stokes third‐order nonlinear wave and uniform current and Biot's dynamic consolidation equation, the excess pore pressure response of sloping pure seabed under the wave‐current action is obtained. The excess pore pressure reflected by the tunnel is acquired using the seepage continuity condition on the permeable lining surface. Considering the residual excess pore pressure caused by the cumulative effect under the cyclic action of seepage force. Then the distribution law of seepage pore pressure around the shield tunnel in the sloping seabed under the wave‐current action is obtained based on the superposition principle. The displacement response of tunnel lining during the long‐term service period is obtained by combining the exponential decay model. Moreover, the accuracy of theoretical analysis is verified by experimental monitoring data and numerical simulation, and the hydraulic parameters, seabed parameters and tunnel parameters are analyzed.
Leaping fishbot by combustion and propulsion hybrid actuation
Authors: He Zhiguo , Lin Guanzheng , Yang Yang , Jiao Pengcheng 
Published: November 2023

AbstractAutonomous underwater vehicles have been extensively developed in the past decades and deployed for various ocean research activities. While the leaping‐out motions of underwater creatures have motivated the development of underwater robots with the motion ability to jump out of water, the dynamics of such jumping robots have not been fully described. In this study, we developed a leaping fishbot, a flying fish‐inspired underwater soft robot that can leap out of the water and further sail on the surface using the combustion and propulsion hybrid actuation. Specifically, the fishbot uses the transient driving method, in which a premixed oxygen–propane gas generates an instant pushing impulse to launch the robot out of the water at a transiently high speed while the attached jetting propellers provide a sustained thrust as it swims on the water surface at a stable velocity. A series of flume experiments and solid–fluid hybrid computational fluid dynamics numerical simulations were conducted to study the kinematic performance of the robot. Experimental results established a quantitative relationship between the kinematic performance, gas amount, and launch angle. The numerical results accurately predicted the water–air multiphase jumping motions, the numerical result of kinematic was significantly agreeing with the experimental results, the error in the horizontal direction is less than 15%, and that in the vertical direction is less than 10%. We further analyzed the flow field generated by the leaping fishbot to gain a better understanding of the velocity and vortex distribution around it. Our research findings provide valuable insights into bionic application of underwater robots in the future.
Feature selection under budget constraint in medical applications: analysis of penalized empirical risk minimization methods
Authors: Klonecki Tomasz , Teisseyre Paweł 
Published: November 2023

AbstractFeature selection is a crucial step when building supervised predictive models. In many medical applications, features are associated with costs. For example, the diagnostic value extracted by a clinical test is associated with its own cost. Costs can also refer to a non-financial aspects, such as a decision between an invasive exploratory surgery and a simple blood test. Traditional feature selection methods, which ignore costs, aim to choose a subset of features that maximize the accuracy of the corresponding model. However, such a model can be impractical as the total cost of making a prediction may exceed the assumed user-specified budget. In cost-constrained methods, it is necessary to take into account both the relevance of the feature and its cost. We focus on embedded feature selection methods based on a very general penalized empirical risk minimization framework that includes various loss functions. The most natural$$\ell _0$$ℓ0-type penalty is computationally intractable and therefore we analyze other penalties such as: the cost-sensitive lasso and adaptive lasso, non-convex penalties and the method based on knockoffs. The experiments performed on real medical datasets, including large database MIMIC, indicate that non-convex penalties give promising results, in particular they allow to achieve high accuracy, especially when the assumed budget is low. Our model achieved AUC 0.88 for the MIMIC-II dataset in which we predict the occurrence of liver diseases based on clinical features with a budget equal to (5%) of the cost of all available features, which is significantly better than the AUC for the traditional method. Moreover, the fraction of feature cost wasted for noisy features in our method is usually lower than for cost-sensitive lasso.
Hot spots and hot moments of greenhouse gas emissions in agricultural peatlands
Authors: Anthony Tyler L. , Silver Whendee L. 
Published: November 2023

AbstractDrained agricultural peatlands occupy only 1% of agricultural land but are estimated to be responsible for approximately one third of global cropland greenhouse gas emissions. However, recent studies show that greenhouse gases fluxes from agricultural peatlands can vary by orders of magnitude over time. The relationship between these hot moments (individual fluxes with disproportionate impact on annual budgets) of greenhouse gas emissions and individual chamber locations (i.e. hot spots with disproportionate observations of hot moments) is poorly understood, but may help elucidate patterns and drivers of high greenhouse gas emissions from agricultural peatland soils. We used continuous chamber-based flux measurements across three land uses (corn, alfalfa, and pasture) to quantify the spatiotemporal patterns of soil greenhouse gas emissions from temperate agricultural peatlands in the Sacramento-San Joaquin Delta of California. We found that the location of hot spots of emissions varied over time and were not consistent across annual timescales. Hot moments of nitrous oxide (N2O) and carbon dioxide (CO2) fluxes were more evenly distributed across space than methane (CH4). In the corn system, hot moments of CH4 flux were often isolated to a single location but locations were not consistent across years. Spatiotemporal variability in soil moisture, soil oxygen, and temperature helped explain patterns in N2O fluxes in the annual corn agroecosystem but were less informative for perennial alfalfa N2O fluxes or CH4 fluxes across ecosystems, potentially due to insufficient spatiotemporal resolution of the associated drivers. Overall, our results do not support the concept of persistent hot spots of soil CO2, CH4, and N2O emissions in these drained agricultural peatlands. Hot moments of high flux events generally varied in space and time and thus required high sample densities. Our results highlight the importance of constraining hot moments and their controls to better quantify ecosystem greenhouse gas budgets.
Artificial Intelligence (AI)-enhanced learning analytics (LA) for supporting Career decisions: advantages and challenges from user perspective
Authors: Gedrimiene Egle , Celik Ismail , Kaasila Antti , Mäkitalo Kati , Muukkonen Hanni 
Published: November 2023

AbstractArtificial intelligence (AI) and learning analytics (LA) tools are increasingly implemented as decision support for learners and professionals. However, their affordances for guidance purposes have yet to be examined. In this paper, we investigated advantages and challenges of AI-enhanced LA tool for supporting career decisions from the user perspective. Participants (N = 106) interacted with the AI-enhanced LA tool and responded to open-ended questionnaire questions. Content analysis was utilized for the data analysis applying two distinct and robust frameworks: technology acceptance model (TAM) and career decision-making model (CDM) as well as looking into user needs. Results indicate that the AI-enhanced LA tool provided five main benefits to the users: provision of career information, research and analysis of the information, diversification of ideas on possible career paths, providing direction and decision support, and self-reflection. The participants perceived the AI-enhanced LA tool as a supportive asset to be used in transitional life situations characterized with uncertainty. Considerable use difficulties were reported as well as need for further diversification of ideas on possible career paths, need for personalization and self-reflection support, and need for further information. Results regarding perceived support for making career decisions showed that CDM elements were unequally supported by the AI-enhanced LA tool. Most support was focused to investigate smaller number of provided options and make decisions, while contextual information was lacking. Implications for career decision making are discussed.
Response of streamflow and nutrient loads in a small temperate catchment subject to land use change
Authors: Ayele Gebiaw T. , Yu Bofu , Bruere Andy , Hamilton David P. 
Published: November 2023

AbstractThe aim of this study was to quantify the effect of land use change (LUC) implemented to meet nutrient load targets for a freshwater lake in New Zealand. We used the Soil and Water Assessment Tool (SWAT) model in combination with a non-parametric statistical test to determine whether afforestation of 15% of a subcatchment area was adequate to meet assigned nutrient load targets. A regional management authority set nutrient load targets of reduction in total nitrogen (TN) by 0.9 t yr−1 and reduction in total phosphorus (TP) by 0.05 t yr−1 to avoid eutrophication in the receiving waters of a freshwater lake. The load reduction was designed to be achieved through 200 ha of LUC from pasture to trees. Analysis of nutrient loads before, during, and following LUC shows that a 15% increase in forest cover decreased the annual flow (7.2%), TP load (33.3%), and TN load (13.1%). As flow and water quality observations were discrete and at irregular intervals, we used a parametric test and the SWAT model as different lines of evidence to demonstrate the effect of afforestation on flow and water quality. Policymakers concerned with decisions about LUC to improve the quality of receiving waters can benefit from applying our findings and using a statistical and numerical modelling framework to evaluate the adequacy of land use change to support improvements in water quality.
Systematic Search and Scoping Review of Physicians’ Intolerance of Uncertainty and Medical Decision-Making Uncertainties During the COVID-19 Pandemic: A Summary of the Literature and Directions for Future Research
Authors: Appel Helmut , Sanatkar Samineh 
Published: November 2023

AbstractPandemic-related uncertainties and intolerance of uncertainty (IU) could negatively affect physicians’ well-being and functioning, being associated with experiences of distress and problematic decision-making processes. To summarize the available quantitative and qualitative evidence of physicians’ IU and decisional uncertainty during COVID-19 and problems associated with it, a systematic search was conducted to identify all relevant articles describing physician uncertainty with regard to medical decision making and well-being in COVID-19 pandemic conditions. Medical, psychological, and preprint databases were searched. Ten articles met all eligibility criteria, with eight describing quantitative and two describing qualitative research outcomes, assessed primarily in European regions and via online surveys. Associations between IU and symptoms of poor mental health and mental health risk factors were widespread, but inconsistencies emerged. Qualitative studies emphasized decisional uncertainty as a stressor for physicians, and quantitative studies suggest it may have fostered more unproven treatment choices. While the prevalence and impact of physician uncertainty under COVID-19 conditions requires further investigation, sighting available literature indicates that IU coincided with experiences of poor mental health and, at least towards the beginning of the pandemic, with willingness to endorse unproven treatments. Efforts to reduce uncertainty-related problems for physicians seem warranted, for example, through normalizing experiences of uncertainty or reducing avoidable uncertainty through maintaining open and timely communication channels.
Spectrofluorimetric Protocol for Estimation of Commonly Used Antispasmodic Drotaverine. Fluorescence Quenching Study
Authors: Derayea Sayed M. , Mahmoud Nihad A. , Noureldeen Deena A. M. , Attia Tamer Z. 
Published: November 2023

AbstractA fast, simple, accurate, precise, and cheap fluorimetric protocol has been proposed for analysis of a phosphodiesterase-IV inhibitor, namely drotaverine hydrochloride. Fluorimetric protocol is based on estimating the decrease in the eosin Y fluorescence intensity by quantitative addition of drotaverine at pH 3.1 (acetate buffer). An ion pair complex is formed, which leads to quenching in the fluorescence intensity of the dye without need of prior extraction at 534 nm (λex. 339 nm). Different reaction perimeters which influence the production of complex (ion pair between drotaverine and eosin) were deeply investigated and optimized. The developed fluorimetric protocol is capable for quantitative estimation of drotaverine in linear range of 0.4 to 2.5 µg mL−1. After method validation in respect to ICH guidelines, it was applied to determine drotaverine in its commercial preparation. By comparing with other reported method, the developed and validated fluorimetric protocol is capable for estimation of drotaverine in commercial preparation with good accuracy and excellent precision.