bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comprehensive In Silico Analysis of Flavonoids in Breast Cancer Using Molecular Docking, ADME, and Molecular Dynamics Simulation Approach
Authors: Rajesh Gupta Dheeraj , Apte Kavita , Abhirami P. V. , Anusha S. , Ranjitha A. , Kumar Shiv Basant , Sarvottam Kumar , Kumar Pankaj 
Published: January 2025

ABSTRACTThe most frequent type of breast cancer in women is infiltrating ductal carcinoma, followed by infiltrating lobular carcinoma and triple‐negative breast cancer, which account for 10%–15% of cases. Since this disease is not aggressive in its early stages and thus does not flee with the breast duct with this perspective, Epidermal Growth Factor Receptor (EGFR) was chosen with its relevance in stage 0 breast cancer as a primary target. The study aimed to evaluate the protective effects of 19 flavonoids against breast cancer. In addition, pharmacokinetics investigations, molecular docking, free energy calculations, and molecular dynamics simulations were used to evaluate the molecular interactions, stability, and draggability between the phytoconstituents and the EGFR. The acquired results showed that myricetin, which has been compared to raloxifene, is the top docked score compound from the list of flavonoids; the docking score is −9.26 kcal/mol, and standard raloxifene showed −5.39 kcal/mol against epidermal growth factor receptor. The ADME profile shows the drug‐like properties. MD simulations revealed that the myricetin complex is more stable than the raloxifene complex, and pharmacophore modeling studies validated the hydrogen bonding interactions. The PASS online program predicted the biological spectrum of flavonoids against the breast cancer‐causing enzyme. Key parameters like RMSD, RMSF, RoG, hydrogen bonds, PCA, DCCM, and FEL analysis indicated better stability for myricetin. These results suggest that myricetin is a promising drug candidate against breast cancer.
Guidelines for Accurate and Precise Stable Isotope Analysis of Calcite, Dolomite, and Magnesite Using a Carbonate Device for Continuous Flow‐Isotope Ratio Mass Spectrometry (CF‐IRMS)
Authors: Kim Soujung , Kim Sang‐Tae , Knyf Martin 
Published: January 2025

ABSTRACTRationaleCarbonate minerals are one of the most popular samples for an automated sample preparation system for CF‐IRMS, such as GasBench II and iso FLOW, but no standardized analytical protocols exist. This study gives guidelines on optimal analytic conditions for carbon and oxygen isotope analysis of Ca–Mg carbonates when using the carbonate–phosphoric acid reaction method.MethodsCalcite (CaCO3–McMaster Carrara), dolomite (CaMg(CO3)2–MRSI Dolomite), and magnesite (MgCO3–ROM Brazil Magnesite) with two grain size fractions (< 74 and 149–250 μm) were reacted with 103% (specific gravity of 1.92) phosphoric acid under He atmosphere in 12‐mL borosilicate glass vials to examine the full δ13C and δ18O evolution of acid‐liberated CO2 for an extended reaction time of up to 12–30 days at 25°C and up to 3–7 days at 72°C.ResultsAt 25°C, the optimal reaction time of calcite is 1 day for both grain size fractions while the optimal reaction time of 2–10 day is suggested for dolomite with a grain size of < 74 μm. At 72°C, 30‐min to 12‐h or 45‐min to 12‐h reaction is optimal for calcite with < 74‐μm or 149‐ to 250‐μm grain size fraction, respectively, whereas dolomite requires 12‐h to 1‐day reaction for both grain size fractions. The only optimal condition for magnesite is 6–7 days of reaction with < 74‐μm grain size at 72°C.ConclusionsTo determine precise and accurate δ13C and δ18O values of a carbonate mineral using the carbonate–phosphoric acid reaction method, an optimal reaction time must be assessed for a given analytical condition to avoid nonequilibrium isotope effects and unnecessary oxygen isotope exchange of acid‐liberated CO2 in the carbonate reaction vessel. Our experimental result provides a guideline for the accurate and precise stable isotope analysis of Ca–Mg carbonate minerals.
Are the Seasonal Dynamics of Zooplankton Different Between Contrasting Climatic Zones in Brazil? A Comparison Between Tropical and Subtropical Rivers
Authors: dos Santos Picapedra Pablo Henrique , Fernandes Cleomar , Sanches Paulo Vanderlei , Baumgartner Gilmar 
Published: January 2025

ABSTRACTThe unique environmental characteristics of the tropics and subtropics, including precipitation patterns, photoperiods and temperatures, can influence riverine zooplankton communities in contrasting ways. Therefore, we aimed to investigate the seasonal dynamics of zooplankton in tropical and subtropical rivers and compare the structure of zooplankton in response to distinct climatic conditions. To this end, we collected zooplankton samples from rivers located in two different climatic zones in Brazil (tropical and subtropical) during winter, spring, summer and autumn. Our results showed that testate amoebae and rotifers play a crucial role in zooplankton dynamics in both climatic zones, emerging as the predominant groups regarding density, species richness and diversity. In tropical rivers, seasonal variations in zooplankton are strongly influenced by temperature and flooding events, which affect total suspended solids, turbidity and pH. In subtropical rivers, zooplankton seasonal dynamics are closely linked to fluctuations in temperature and dissolved oxygen. We identified 142 zooplankton taxa, with the tropical zone comprising 125 taxa and the subtropical zone comprising 97 taxa. The results also revealed that tropical rivers had greater species richness and diversity than subtropical rivers. This disparity was primarily attributed to the higher temperatures, greater nutrient concentrations and lower thermal amplitudes in tropical waters compared to those in subtropical waters. Thus, it is evident that different climatic conditions have varying influences on riverine zooplankton dynamics, highlighting the need to consider regional characteristics in the management and conservation of aquatic ecosystems.
Beneficial effects persist 5 years after liming acid forest soils in West Virginia
Authors: Skousen Jeff , Fowler Jarrett , Gormley Loren , Holaskova Ida , Nottingham Adrienne , Connolly Stephanie 
Published: January 2025

AbstractAcid forest soils in the Monongahela National Forest (MNF), West Virginia, were limed at 10 Mg ha−1 by helicopter. Effects of liming were evaluated 1 and 5 years after liming by measuring pH, acidity, and aluminum (Al) and calcium (Ca) concentrations in limed and unlimed soils. First‐year results were reported by Fowler et al. Unlimed soils had soil pH of 4.2, while limed soils had pH of 5.6 in O horizons 5 years after liming. Ca concentrations averaged 6.4 cmolc kg−1 without liming compared to 31 cmolc kg−1 5 years after liming. Soil acidity and Al concentrations in O horizons were five times lower in limed soils compared to unlimed soils after 5 years. The beneficial effects of liming these acid forest soils have persisted through 5 years.
Key Anodic Interfacial Phenomena and their Control in Next‐Generation Lithium and Sodium Metal Batteries
Authors: Roy Kingshuk , Bhunia Manas K. , Karthik Pitchiah E. , Rana Ashutosh , Das Bidisa , Banerjee Abhik , Ogale Satishchandra 
Published: January 2025

AbstractAdvancing next‐generation battery technologies requires a thorough understanding of the intricate phenomena occurring at anodic interfaces. This focused review explores key interfacial processes, examining their thermodynamics and consequences in ion transport and charge transfer kinetics. It begins with a discussion on the formation of the electro chemical double layer, based on the GuoyChapman model, and explores how charge carriers achieve equilibrium at the interface. This review then delves into essential interfacial processes, including metal nucleation and growth, the development and stability of the solid electrolyte interphase (SEI), and ion movement across the interface. In addition, it analyzes the impact of different electrolyte solutions—such as low‐ and high‐concentration electrolytes and localized high‐concentration electrolytes—on these interfacial processes. The role of additives, co‐solvents, and diluents in modifying these interfaces is also covered. This review further evaluates techniques for characterizing the SEI layer, highlighting their strengths and limitations in both aqueous and nonaqueous battery systems. By comparing the challenges and opportunities associated with interfaces next‐generation nonaqueous metal battery systems, this review aims to offer new insights into their respective advantages and limitations, ultimately guiding the design and optimization of anodic interfaces to enhance the safety and efficiency of future energy storage technologies.
Electrochemical In Situ Characterization Techniques in the Field of Energy Conversion
Authors: Lin Hao , Yan Tian , Yang Qi , Lin Lin , Liu Le , Xi Jingyu 
Published: January 2025

AbstractWith the proposal of the “carbon peak and carbon neutrality” goals, the utilization of renewable energy sources such as solar energy, wind energy, and tidal energy has garnered increasing attention. Consequently, the development of corresponding energy conversion technologies has become a focal point. In this context, the demand for electrochemical in situ characterization techniques in the field of energy conversion is gradually increasing. Understanding the microscopic electrochemical reactions and their mechanisms in depth is a common concern shared by both academia and industry. Therefore, the development of electrochemical in situ characterization techniques holds critical significance. This paper comprehensively reviews electrochemical in situ characterization techniques in the field of energy conversion from three aspects: spectral characterization techniques of electrochemical reactions, characterization techniques for the spatial distribution of electrochemical reactions, and optical characterization techniques for the surface refractive index associated with the spatial distribution of electrochemical reactions. These characteristics are described in detail, and the future development direction of in situ characterization technology is prospected, with the aim of promoting the advancement of electrochemical in situ characterization technology in the field of energy conversion, facilitating energy transformation, and thus advancing the goals of “carbon peak and carbon neutrality.”
Contribution of crossing over to genetic variance in maize and wheat populations
Authors: Bernardo Rex 
Published: January 2025

AbstractCrossing over breaks linkages and leads to a wider array of allele combinations. My objective was to assess the contribution of crossing over to genetic variance (VG) in maize (Zea mays L.) and wheat (Triticum aestivum L.). The contribution of crossing over to VG (denoted by PCO) was assessed by calculating VG without crossing over from the sums of marker effects on each chromosome and by estimating VG with crossing over from simulated doubled haploids that arise from meiosis. For maize yield, crossing over had positive contributions of PCO = 7% and 16% in two populations but it strongly decreased VG (PCO = −74% to −25%) in five other populations. The mean PCO was negative for moisture, test weight, plant height, and ear height. In wheat, the PCO values were all negative for five traits in the Louise/Penawawa population but were all positive for three traits in the Seri/Babax population. Negative PCO values were attributed to large differences between the sum of allelic effects on a homolog inherited from one parent and the sum of effects on the homolog from the other parent. Although crossing over most often decreased VG, the best simulated line (out of 10,000) with crossing over was usually superior to the best line without crossing over. Breeding progress will therefore continue to rely on finding individuals with increasingly rare, favorable crossovers amidst individuals with crossovers that are mostly unfavorable.
Enhancing genomic‐based forward prediction accuracy in wheat by integrating UAV‐derived hyperspectral and environmental data with machine learning under heat‐stressed environments
Authors: McBreen Jordan , Babar Md Ali , Jarquin Diego , Ampatzidis Yiannis , Khan Naeem , Kunwar Sudip , Acharya Janam Prabhat , Adewale Samuel , Brown‐Guedira Gina 
Published: January 2025

AbstractIntegrating genomic, hyperspectral imaging (HSI), and environmental data enhances wheat yield predictions, with HSI providing detailed spectral insights for predicting complex grain yield (GY) traits. Incorporating HSI data with single nucleotide polymorphic markers (SNPs) resulted in a substantial improvement in predictive ability compared to the conventional genomic prediction models. Over the course of several years, the prediction ability varied due to diverse weather conditions. The most comprehensive parametric model tested, which included SNPs, HSI, and environmental covariates data, consistently achieved the best results, closely followed by machine learning (ML) approaches when considering the same omics data. For example, the most comprehensive model (M9), under the forward prediction cross‐validation scheme, predicted the GY of the 2023 growing season using data from 2021 and 2022 for a correlation between predicted and observed values of 0.53. This model demonstrated superior performance compared to less complex models, emphasizing the advantage of integrating numerous data sources and their interactive effects. Furthermore, when comparing the top 25% of the predicted lines versus the corresponding observed lines with the highest GY, the M9 model returned a coincide index (CI) of 55% (i.e., in both sets, 55% of the top 25% values were common), whereas for the highest performing ML model (gradient boosting regression), the CI was of 46%. This study highlights the potential of multi‐data source approaches to accelerate the selection of heat‐tolerant wheat genotypes.
Redesigning Author Study: Fanfiction and Early Elementary Literacy
Authors: Magnifico Alecia Marie , Lammers Jayne C. , Kennedy Francesca , Silva Bethany 
Published: January 2025

AbstractFans often express their love of authors or books by creating and sharing fanfiction, a genre wherein fans write new narratives that add to beloved works or take place in existing story worlds. In this article, we describe a kindergarten teacher's efforts to enhance students' foundational literacy skills by combining author studies with composing fanfiction. Pairing these practices throughout the school year can encourage kindergarteners to recognize textual patterns, playfully adapt these patterns, and compose their own stories and art. By playing with literacy, kindergarten fanfiction writers can begin to see themselves not just as readers, but authors.
Empirical Physics‐Based Normal Behavior Modeling of Drive Train Temperatures With High‐Resolution Wind Turbine Operating Data
Authors: Lichtenstein Timo , von Maltzahn Victor , Pelka Karoline 
Published: January 2025

ABSTRACTThe installed wind energy capacity increases every year. However, operation and maintenance costs still make up a considerable portion of the levelized costs of electricity. This costs can be greatly reduced by the application of suitable early fault detection methods. The supervisory control and data acquisition system of wind turbines is one key element, as nowadays it provides high resolution operating data. Such data can be used for the implementation of normal behavior models, one precursor for concise early fault detection methods. In this work, we implement a generally applicable and interpretable partly physics‐based, partly empirical normal behavior model for drive train temperatures in wind turbines. The model achieves a coefficient of determination well above 0.9 for 12 of 16 available temperature signals. We also present the possibility of interpreting the model's underlying physical correlations for a selected temperature signal. In addition, we evaluate the influence of the input data's temporal resolution on the model quality. While models based on 10 s data perform slightly better, the results show that 10 min data are sufficient for modeling temperatures.
Prognosis of aggressive adult T-cell leukemia/lymphoma with central nervous system infiltration and utility of CD7 versus CADM1 flowcytometric plots of cerebrospinal fluid
Authors: Jimbo Koji , Ishigaki Tomohiro , Sakashita Masataka , Andoh Shohei , Ichimura Hirona , Ito Ayumu , Yokoyama Kazuaki , Sato Aki , Fukuda Takahiro , Uchimaru Kaoru , Nannya Yasuhito 
Published: January 2025

AbstractThe prognosis of adult T-cell leukemia/lymphoma (ATL) with primary central nervous system (CNS) involvement has been unclear since the advent of new therapies. Recently, we have shown that flow cytometric CD7/CADM1 analysis of CD4 + cells (HAS-Flow) is useful to detect ATL cells that are not morphologically diagnosed as ATL cells. We investigated the role of CNS involvement in ATL using cytology and HAS-Flow by analyzing cerebrospinal fluid (CSF) from 73 aggressive ATL cases. Based on the findings in CSF, the study subjects were classified into CNS + (cytologically malignant, n = 18), CNS- (cytologically non-malignant and ATL cell population negative in HAS-Flow, n = 44), and CNS-Micro (cytologically non-malignant and ATL cell population positive in HAS-Flow, n = 11) groups. As expected, the CNS + group had a shorter overall survival than the CNS- groups (P < 0.001). However, the CNS-Micro group showed no adverse impact on overall survival compared to the CNS- group (P = 0.506), even without additional CNS-targeted treatments. HAS-Flow also demonstrated clinical utility in the diagnosis of CSF lesions in ATL patients with cerebral white matter lesions and in the detection of ATL cells on post-treatment CSF examination in patients with CNS involvement. Our study demonstrates that ATL with CNS involvement have a poor prognosis and that CSF HAS-Flow is useful to assist in the diagnosis of suspected CNS involvement and to detect ATL cells with high sensitivity after treatment.
On time-splitting methods for gradient flows with two dissipation mechanisms
Authors: Mielke Alexander , Rossi Riccarda , Stephan Artur 
Published: January 2025

Abstract
We consider generalized gradient systems in Banach spaces whose evolutions are generated by the interplay between an energy functional and a dissipation potential. We focus on the case in which the dual dissipation potential is given by a sum of two functionals and show that solutions of the associated gradient-flow evolution equation with combined dissipation can be constructed by a split-step method, i.e. by solving alternately the gradient systems featuring only one of the dissipation potentials and concatenating the corresponding trajectories. Thereby the construction of solutions is provided either by semiflows, on the time-continuous level, or by using Alternating Minimizing Movements in the time-discrete setting. In both cases the convergence analysis relies on the energy-dissipation principle for gradient systems.
3D Numerical Modeling of Rock Mass Failure in an Uplift Test of a Rock Anchor with Focus on the Role of Rock Joints
Authors: Manquehual Cristobal J. , Li Charlie C. , Shabanimashcool Mahdi , Grindheim Bjarte , Lia Leif 
Published: January 2025

AbstractThis paper aims to numerically study the failure mechanisms of the rock mass during the uplift test of a rock anchor installed in limestone. The rock anchor consisted of a smooth tendon, with short threaded sections at both ends. At the distal end of this tendon, a washer and a nut were screwed together to form a plate-anchor. The annulus between the rock anchor and the borehole wall was filled with cementitious grout. The rock mass had three distinctive joint sets. One of them was vertical, i.e., parallel to the anchor axis, while the other two were inclined with a dip angle ≤ 40°. The uplift test was designed so that failure would occur in the rock mass. Geotechnical monitoring data collected from the field was used to calibrate a numerical model with the 3DEC (Three-Dimensional Distinct Element Code) software. This software was chosen because it can simulate the behavior of rock joints. The calibrated numerical model was able to replicate quite accurately the pull force over anchor displacement during testing until the ultimate load and the shallow rock cone failure observed in the field. The model indicates that rock joints start to open at 60% of the ultimate pull load and the key input parameters controlling the ultimate load capacity of the anchor are the tensile strengths of the inclined joint sets.
Toward a hybrid approach for the risk analysis of maritime autonomous surface ships: a systematic review
Authors: Yuzui Tomohiro , Kaneko Fujio 
Published: January 2025

Abstract
As the demand for maritime autonomous surface ships (MASS) grows, appropriate risk analysis is essential for ensuring their safety. Several review papers have examined effective methods for MASS risk analysis, highlighting the benefits of qualitative approaches such as the systems-theoretic accident model and process/system-theoretic process analysis (STAMP/STPA). However, a comprehensive and objective analysis method for MASS has not yet been established. In addition, a systematic literature review of the available academic research studies on MASS risk analysis has not been previously conducted. Therefore, this study employed principles from the preferred reporting items for systematic reviews and meta-analysis (PRISMA) for conducting a systematic literature review on MASS risk analysis. Besides, to conduct the review considering various aspects of risk analysis, we developed the classification framework of risk analysis of MASS and conducted the review using the developed framework. We concluded that a hybrid approach, combining a quantitative analysis by the Bayesian network using qualitative STAMP/STPA results, may prove to be effective for MASS risk assessment. In addition, based on the analyzed literature, research directions for future studies considering the gaps between current research and the real-world implementation of MASS were identified.
Experiences with Oral Pre-Exposure Prophylaxis (PrEP) Service Delivery and Use Among Adolescent Girls and Young Women (AGYW) in Routine Primary Care Settings, South Africa
Authors: Martin Catherine E. , Muhwava Lorrein S. , Dada Siphokazi , Scorgie Fiona , Mullick Saiqa 
Published: January 2025

AbstractIn South Africa, oral PrEP was included in national guidelines as part of a combination HIV prevention package for adolescent girls and young women (AGYW) in 2017. Understanding their experiences of accessing and using PrEP is necessary to evaluate and improve PrEP service delivery approaches. This descriptive study explored AGYW’s knowledge and understanding of PrEP, their experiences and influences on PrEP access and use in real world settings in South Africa. We conducted 44 in-depth interviews with female PrEP users (15-24 years) enrolled in Project PrEP. Interviews were audio recorded and transcribed for analysis using thematic analysis procedures. Participants reported positive experiences and overall satisfaction with accessing health services (i.e., youth-friendly clinic spaces, friendly and non-judgemental staff, privacy during consultations). Distance from the clinic, long queues, negative provider attitudes, and occasional stock-outs were key health service barriers to accessing PrEP. Individual motivating factors to continued PrEP use included creating daily pilltaking routines and the goal to remain HIV negative, while barriers included pill fatigue, frequent clinic visits, and side-effects. Positive relationships with partners and family facilitated disclosure of PrEP use, while stigma was identified as a community barrier to accessing PrEP services. Our study highlights AGYWs' experiences with PrEP access and use in a real-world setting. Facilitators and barriers identified in this study can be leveraged to strengthen efforts to support young women and ensure effective PrEP use. The findings also contribute to the development of appropriate service delivery.