bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational study of flavonoids from Eucommia ulmoides against RANKL-induced osteoclastogenesis using Molecular Docking and molecular dynamics simulation
Authors: Zhang Xiaofei , Zhang Lixia , Li Dan , Wang Qi , Wang Libin , Zheng Ziqi , Xie Yun 
Published: February 2025

Abstract

Osteoporosis is the most common form of bone disease and the RANKL/RANK/OPG has been widely demonstrated to be a critical protein for bone metabolism. Previous studies suggested that flavonoids played an obligatory role in the inhibition process of osteoclast differentiation induced by RANKL. However, the detailed mechanisms were still unknown. Eucommia ulmoides is a popular herb used to treat bone diseases in traditional medicine, in which flavonoids play an important role. Thus, in the present study, the flavonoids in Eucommia ulmoides were specially selected and the molecular recognition mechanisms between flavonoids and RANKL monomer were examined and analyzed by molecular modeling approaches. The in-silico experiments revealed that the selected molecules exhibited variable degrees of affinities toward the RANKL monomer. Among them, cyrtominetin may be used as a lead compound for the development of potent RANKL inhibitors. By analyzing the binding sites of flavonoids to RANKL monomer, we found that most flavonoids interacted with RANKL monomer by forming strong hydrogen bonds with Gly178 and Asn195 to exhibit higher binding affinity, which was assumed to be essential for the activity. Moreover, the MD simulation showed good interactions between the selected molecules and the active site of RANKL monomer. Throughout the all-atom 100 ns MD simulation, flavonoids depicted superior stability at the RANKL binding site for more than 70 ns, where the solvation energy was greatly compensated by the electrostatic and van der Waal binding energies. We believed that the results could help to elucidate the underlying mechanisms of flavonoids to inhibit osteoclast differentiation induced by RANKL at the atomic level and facilitate the development of new medications for bone-related diseases.
In silico analysis of doxorubicin analogues conjugated to polysorbate 80 for sustained and targeted delivery to the brain
Authors: Lekshmi D. K. S. , Nair Arsha S , Jayakrishnan A. , Sankaran Sandhya Karakkadparambil 
Published: February 2025

Abstract

Drug discovery for the treatment of central nervous system (CNS) diseases is a highly complex affair, especially due to the blood brain barrier (BBB) restricting the entry of many drugs. In the present study, we utilized in silico studies to screen twelve derivatives of doxorubicin (DOX) against seven tumor proteins. The DOX ligands were modelled and optimized using Density Functional Theory (DFT), and the binding affinity was evaluated. Seven tumor proteins were selected for docking and their PDB IDs were: 3LGL, 2IG0, 3LGF, 4RG2, 3PG7, 3LH0, and 4HBM. Later, an attempt was made to deliver these modified DOX ligands into the brain using a non-ionic surfactant, polysorbate 80 (PS80). Modified DOX ligands-PS80 conjugated structures were made using Semi empirical methods. After categorizing 12 DOX ligands and 12 DOX-PS80 conjugated ligands, the top-ranked three DOX ligands (R6, R4, and R9) and their conjugates with PS80 (R6-PS80, R4-PS80, and R9-PS80) underwent comprehensive molecular dynamics (MD) analysis. The best DOX ligands and their conjugated structures with PS80 were subjected to a thorough examination for structural stability (RMSD), intermolecular hydrogen bond (H-bond) interactions, effect of solvent accessibility (SASA), and compactness (Rg). The results demonstrated that these ligands and conjugated ligands exhibited folding behavior and were incredibly stable. Furthermore, we employed MM/GBSA to figure out the docking scores of the top three DOX-PS80-conjugated ligands. In silico pharmacokinetic parameters of all compounds were analyzed using the ADMET AI server. It is shown that attaching to PS80 could potentially decrease the overall toxicity of DOX ligands. These findings indicate that the modified DOX ligands, when combined with PS80, have the potential to cross the BBB and could be used for further in vitro and in vivo evaluation.
Transforming Maasai Landscapes: Land Cover Changes and Their Implications for Pastoralism and Conservation
Authors: Giliba Richard A. 
Published: February 2025

Abstract

Land cover change, particularly in landscapes inhabited by pastoralist communities like the Maasai, is a growing concern due to its environmental and socio-economic implications. The Maasai regions in Tanzania have experienced significant land cover shifts in recent years, which can affect biodiversity, ecosystem services, and traditional livelihoods. Despite the importance of these landscapes, there is limited understanding of how specific land cover types, such as rangelands, croplands, and tree cover, have changed over time, and what the drivers behind these changes are. To address this gap, this study examines the extent and nature of land cover changes in Maasai landscapes between 2017 and 2023. The study specifically focuses on the conversion of rangelands to other land uses, such as tree cover, croplands, and built areas, as well as the shifts from trees to cropland and built areas. By analyzing these trends, the study aims to provide insights into the factors driving land cover change and their implications for land management in the region. The findings reveal substantial transitions, including the conversion of 451,514 hectares of rangeland to tree cover, 152,064 hectares to cropland, and 10,181 hectares to built areas. These results highlight the urgent need for strategies that support sustainable land use while considering the ecological and socio-economic importance of Maasai landscapes.
Assessment of Preoperative Multivitamin Use on the Impact on Micronutrient Deficiencies in Metabolic Bariatric Surgery Patients
Authors: Sander Johannes , Torensma Bart , Siepe Jacqueline , Schorp Torsten , Schulte Thilo , Schmeer Christine , Gögele Hannes , Böckelmann Inga , Grabenhorst Andrea , Ockert-Belz Ildiko , Berends Frits , Aarts Edo 
Published: February 2025

Abstract

Background
Most patients achieve successful weight loss following metabolic bariatric surgery (MBS), but they face an increased risk of micronutrient deficiencies due to altered gastrointestinal physiology and dietary restrictions. This study evaluated the impact of a specialized multivitamin on blood serum levels before MBS.
Methods
A prospective, within-patient comparison trial was conducted between January and July 2023 at a large bariatric clinic. Differences in serum micronutrient levels between baseline and the three-month follow-up were assessed, along with changes in the prevalence of micronutrient deficiencies.
Results
Of 120 patients recruited, 99 (82.5%) completed the three-month follow-up. Significant changes were observed in 14 of 22 serum parameters (63.6%). Eleven parameters, including iron, vitamin K1, zinc, CRP, hemoglobin, hematocrit, MCV, calcium, folic acid, vitamin B1, and vitamin D, showed significant increases (p < 0.001). Conversely, magnesium, phosphate, and albumin levels significantly decreased (p < 0.001). Among 22 parameters, deficiencies were identified in 18 (81.8%), with prevalence rates ranging from 1.0% (copper) to 88.8% (vitamin D). After three months, significant reductions in deficiency prevalence were observed for iron, folic acid, and vitamin D. However, phosphate deficiency increased significantly, from 2.1% to 19.8% (p < 0.001).
Conclusion
Micronutrient deficiencies are prevalent in patients with obesity. Preoperative specialized multivitamin supplementation effectively reduces key deficiencies, particularly in iron, folic acid, and vitamin D. Future research should address residual deficiencies and evaluate long-term outcomes of prolonged supplementation.
Gene expression changes in the turkey hen vagina in response to artificial insemination across the lying cycle
Authors: Boukherroub Kahina S. , Kosonsiriluk Sunantha , Reed Kent M. , Noll Sally L. , Studniski Marissa M. , Wileman Ben W. , Diehl Kristen 
Published: February 2025

Abstract

Background:
The vagina is the main site for sperm selection in turkey hens. However, the specific genes and pathways altered in response to sperm and laying cycle have not been fully investigated. The objective of this study was to determine the changes in gene expression of the vagina in response to artificial insemination through the laying cycle of turkey breeder hens. Vaginal tissues were collected from hens artificially inseminated (semen group), inseminated with extender (sham group), or not inseminated (virgin group) (n=5/group). Additional tissues were collected from semen and sham groups at peak lay, and end of lay. Total RNA was extracted for sequencing. Differentially expressed genes were identified among groups, and functional annotation was performed.
Results:
Differences in gene expression were observed in comparisons based on lay cycle and insemination treatment. During early lay, extender alone led to increased expression of antimicrobial genes, cell proliferation, differentiation, and remodeling compared with virgin. By contrast, semen treatment predicted the activation of innate immune cell pathways. At peak lay, a higher expression of histone deacetylase 7-like mRNA was observed in response to semen compared with sham, along with a predicted inhibition of immune Calcineurin-NFAT Signaling Pathway. Semen treatment led to a higher expression of sperm binding proteins including deleted in malignant brain tumors 1 protein-like and Zona Pellucida 1 at peak lay when compared with early lay. Finally, semen treatment resulted in increased expression of Urotensin 2B and decreased expression of antimicrobial genes including β-defensin 2, catheldicins 2 and 3, sialoadhesin, attractin-like 1, lysosomal-associated membrane protein 3, leukocyte cell-derived chemotaxin-2, and hepatocyte growth factor at the end of lay compared with sham.
Conclusions:
Results from this study indicate that the turkey vagina actively responds to extender and sperm and that this response changes across the laying cycle. Gene expression changes indicate a shift in the innate and adaptive immune response of the vagina during the laying cycle that can be dependent or independent of sperm. The presence of sperm binding proteins in the vagina with highest expression at peak lay, coincides with peak fertility and could serve as potential markers of fertility.
Response predictors and long-term outcomes of preprandial single-daily cyclosporine in children with steroid-dependent nephrotic syndrome caused by minimal change disease: a single-center experience
Authors: Urushihara Yasuko , Fujinaga Shuichiro , Nishino Tomohiko , Sakuraya Koji , Ohtomo Yoshiyuki , Masutani Satoshi 
Published: February 2025

Abstract

Background
Clinical practice guidelines for idiopathic nephrotic syndrome (NS) in children recommend twice-daily cyclosporine as a preferred steroid-sparing agent for steroid-dependent nephrotic syndrome (SDNS). Although single-daily cyclosporine (S-CS) may offer an effective therapeutic option with increased compliance and reduced nephrotoxicity, response predictors and long-term outcomes following this regimen remain unclear in this cohort.
Methods
A retrospective study was conducted on children with SDNS caused by minimal change disease (MCD) who were treated with preprandial S-CS to maintain 2-hour post-dose levels of 500–700 ng/mL between October 2005 and December 2021. The primary endpoint was the probability of SDNS-free survival during S-CS therapy. The secondary endpoint was the long-term outcome at the last visit.
Results
After initiating S-CS therapy in 48 children, 31 patients, including 18 who did not experience relapse during treatment, were able to discontinue steroid dependency (response group), while 17 patients experienced treatment failure. The median time to the first relapse after NS diagnosis was significantly longer in the response group than in the treatment failure group (4.3 vs. 2.1 months, p < 0.05). Multivariate logistic regression analysis identified a longer time until the first relapse (≥ 2.2 months) after NS diagnosis as an independent predictive factor for a favorable response to S-CS therapy (odds ratio: 21.0, p < 0.005). None of the patients progressed to chronic kidney disease Stage 3 or higher.
Conclusions
S-CS may offer a promising treatment option for children with SDNS caused by MCD who do not experience early relapse following NS diagnosis.
Fuzzy C Means Clustering and Ant Colony Optimization based Routing Protocol for Underwater Wireless Sensor Networks
Authors: Panchal Hetal , Gajjar Sachin 
Published: February 2025

Abstract

Routing protocol based on Fuzzy C Means Clustering and Ant Colony Optimization for Underwater Wireless Sensor Networks (UWSN) is presented in this paper. The network consists of several underwater sensor nodes that transfer the data packets to the Surface Station (SS). Fuzzy C Means Clustering and Ant Colony Optimization based Routing Protocol (FACOCRP) for Underwater Wireless Sensor Networks encompasses cluster formation, selection of cluster heads, and inter-cluster routing protocol. The Fuzzy C Means (FCM) clustering technique is used to create clusters. Cluster heads are chosen by considering the center of the cluster into account in the first round. The leftover energy of underwater sensor nodes’ is considered for cluster head selection by keeping the same cluster from the second round. FACOCRP uses an Ant Colony Optimization (ACO) algorithm for energy-efficient and reliable inter-cluster communication from cluster heads to the surface station. The FACOCRP is better than UWISN, SH-FEER and MH-FEER for energy consumption up to 54.22%, for network lifetime up to 53.89%, for FND up to 39.44%, and packets transmitted to surface stations up to 73.73%.
Cost-Efficient Asset Allocation: Graph-Based Machine Learning for Dynamic Portfolio Rebalancing.
Authors: Vallarino Diego 
Published: February 2025

Abstract

This research introduces a novel approach to portfolio rebalancing by integrating Graph Neural Networks (GNNs) with Dijkstra's algorithm to optimize transaction costs in financial markets. GNNs are trained on historical stock data from major technology companies to predict future transaction costs, capturing complex dependencies between assets and market conditions. These predicted costs are then embedded as edge weights in financial asset graphs, enabling a dynamic representation of transaction expenses within the portfolio structure.
Using this enriched financial network, Dijkstra’s algorithm is applied to determine the most cost-efficient paths for asset capital reallocation. By leveraging this hybrid framework, portfolio managers can systematically identify low-cost trading routes, reducing slippage and improving execution efficiency, particularly in high-frequency trading environments.
Empirical results demonstrate that this approach significantly minimizes transaction costs compared to traditional rebalancing strategies, highlighting the synergy between machine learning and graph-based optimization in financial decision-making. The study underscores the potential of AI-driven portfolio management techniques in enhancing capital efficiency and reducing execution risk.
JEL: C61, G11, C63, G17, C45.
Regarding the Possible Impact of Forest Fires on the Radioactive Pollution of Groundwater in the Chornobyl Exclusion Zone
Authors: Panasiuk Mykola , Buzynnyi Mykhailo , Kirieiev Serhii , Sosonna Natalia , Kovalenko Ihor , Mykhailova Liubov 
Published: February 2025

Abstract

Wood in the Chornobyl Exclusion Zone (CEZ) is contaminated with 137Cs and 90Sr. The 90Sr activity concentration in the wood reaches tens of kBq/kg. According to laboratory experiments, complete combustion of 1 kg of dry pinewood generates about 2.8 g of ash, resulting in a 90Sr concentration in the ash that is approximately 360 times higher. The specific activity of 90Sr in the ash from six wood samples ranged from 0.16 to 3.4 kBq/g. In filtrate samples, the specific activity of 90Sr, under consistent experimental conditions, reached 0.5 to 0.72 kBq/l. The fraction of 90Sr washed out during the experiment was 12–33% for wood ash and 10.8–13.2% for forest litter ash. The high concentrations of potassium, sodium, calcium, and phosphate ions in the wood ash are readily leached, which increases groundwater mineralization and its ionic strength. This, in turn, contributes to a decrease in the sorption capacity of soils and an increase in the migration capacity of 90Sr in the aquifer. The largest fires in the CEZ occurred in 2020 at the Temporary Radioactive Waste Location Point (PTLRW) “Red Forest” site, where the 90Sr activity in wood peaked. The concentration of 90Sr activity in groundwater samples from observation wells in this section of the CEZ shows an increase of 2 to 60 times, climbing from approximately 2 to about 180 Bq/l, beginning at the end of 2022. Radioactivity concentrated in ash on the soil surface in the burned area is vulnerable to rapid leaching by atmospheric precipitation; as a result, it can become a significant local source of radioactive contamination of surface and groundwater, necessitating updates to the regulations for monitoring radioactivity in the relevant CEZ observation wells.
Educator Perspectives on Costs and Cost-Conscious Decision-Making in Health Professions Education: A Q-Method Study
Authors: Yaros Jennifer , Egbrink Mirjam oude , Langenberg Benedikt , Evers Silvia M.A.A. , Paulus Aggie 
Published: February 2025

Abstract

Introduction: Intensification of resource scarcity in health professions education (HPE) requires careful consideration of educational costs. Educators play a significant role in this process, as they make resource allocation decisions when designing, developing, organizing and overseeing education, yet little is known about how educators view the idea of incorporating information on educational costs into decision-making. Therefore, this study maps educator views on cost-conscious decision-making in HPE.
Methods
Using Q-Methodology, we explored how HPE educators perceive costs and cost-conscious decision-making. Participants ranked 34 statements and engaged in semi-structured interviews. By-person inverted factor analysis with varimax rotation was used to extract factors representing distinct patterns of thinking held by three or more educators. These patterns were interpreted using factor arrays, distinguishing and consensus statements, and interview transcripts, yielding narrative descriptions of unique educator perspectives.
Results
Twenty-five educators holding diverse educational responsibilities and 1–29 years of experience were classified into four distinct perspectives. Unaware Doubters (n = 3) are unexposed to educational cost considerations and lack motivation for involvement. Cautious Realists (n = 8) are personally impacted by resource constraints, yet hesitant about cost-conscious decision-making. Pragmatic Supporters (n = 8) hold implicit awareness of resource scarcity but remain open to participation in cost-conscious decision-making. Empowered Agents (n = 6) are aware, active and engaged in cost-conscious decision-making, yet seek a unifying vision and transparent communication from leadership.
Discussion
These four distinct educator perspectives on costs and cost-conscious decision-making in education illustrate varying levels of awareness, motivation and engagement, which indicates the need for tailored strategies to improve cost-conscious decision-making in HPE. This information can be used by educational institutes to develop a vision, policy and strategy to involve educators in considerations concerning educational costs in view of the increasing resource scarcity in HPE. Future research should evaluate the effectiveness of different strategies targeted to these perspectives and explore how perspectives vary across settings and contexts.
Cortical modulation of BOLD signals in white matter
Authors: Ding Zhaohua , Xu Lyuan , Gao Yurui , Zhao Yu , Tan Yicheng , Anderson Adam W. , Li Muwei , Gore John C. 
Published: February 2025

Abstract

The relationship of BOLD signals in white matter to cortical neural activity remains unclear. We quantified the degree to which spontaneous neural activities in the cortex, which are reflected in low frequency fluctuations in cortical BOLD signals, modulate BOLD signals in white matter. From measurements of resting state correlations we find cortical networks of more basic level functions tend to contribute more to correlated fluctuations in white matter than those of higher level functions. In addition, each cortical network exhibits distinct, structurally interpretable spatial distribution patterns of white matter projections. Moreover, the myelination level of cortical networks is found to be strongly correlated with the white matter projection of cortical BOLD signals. Our findings confirm that BOLD signals in white matter encode neural activity in proportion to the spontaneous activity of individual cortical networks, and with network-specific spatial distribution patterns, which could be mediated by the microstructure of the brain cortex.
Physical Education preservice teachers’ perceptions about using Lesson Studies in initial teachers’ training
Authors: Santinha Fernanda Marques , Onofre Marcos , Martins Maria 
Published: February 2025

Abstract

Purpose – To analyze Physical Education preservice teachers’ perceptions about using Lesson Studies in initial teachers’ training.
Methodology – This project was developed by carrying out a Lesson Study, collecting data during the process and studying the perspectives of participating preservice teachers.
Findings – Physical Education preservice teachers perceived the participation in Lesson Study as a globally positive experience, valuating collaborative work, competence development, reflection, and diversity in discussion, and proposing the utilization of Lesson Study in initial teachers’ training and in ongoing professional development. Our findings are in line with similar studies results, suggesting that Lesson Studies can be advantageously used also in initial teacher training.
Originality – The research reported on the use of Lesson Studies in training of Physical Education teachers is very limited.
Comparative impact of oils and synthetic chemicals on survival, reproduction, and resistance of Panonychus citri (McGregor) (Acari: Tetranychidae)
Authors: QAYYOUM MUHAMMAD ASIF ASIF 
Published: February 2025

Abstract

Panonychus citri (McGregor) was reported resistant to more than 23 pesticides because of the considerable application of acaricides. Finding new and environmental-friendly is the main research objective of this study, by evaluating the impact of oils and chemicals on the survival and reproduction of P. citri in addition to the identification of resistance levels between susceptible, on-field treated plant oil (PO) and F1-generation populations. Results indicated that the survival and oviposition rates were directly proportional to each other and showed significantly differences (P = 0.005) in all aspects (within treatment and between treatments). Mineral oil had less impact on survivability with an increasing trend (higher to low doses) while all other treatments responded almost similarly after 24 hours of exposure time. The egg dipping method had no impact on the survival of next-generation parameters except slight difference between the highest and lowest doses. The PO population was susceptible to all treatments as LC50 values ranged from 0.038 to 1.132 mL− 1 with 1.23 to 4.72-fold difference except in plant oil case. The resistance levels of F1-generation and PO population remained very high in evaluation to susceptible strain and 1.45 to 1.99 times fold difference among them. According to our results, plant oil can be used as a potential alternative product for P. citri control, The egg dipping method has less or no impact and the F1 generation population develops quick resistance ability. These results will be helpful for pest and resistance management strategies in the future.