bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Biological Screening, and Molecular Docking of Hybrid Pyrazole Scaffolds for Antitubercular and Antimicrobial Activity
Authors: Bavishi Abhay , Vala Hardev , Radadiya Ashish , Swami Sagar , Thakrar Shailesh , Sarkar Dhiman , Shah Anamik 
Published: January 2025

AbstractThis study reports the synthesis, characterization, and docking analysis of 21 novel compounds, including asymmetric dihydropyridines (4a–4o) and chalcones (6a–6f), derived from coupling 1,3‐(substituted)‐diphenyl‐1H‐pyrazole‐4‐carbaldehyde with active methylene compounds and 3‐acetyl‐4‐hydroxycoumarin, respectively. Structural confirmation was achieved through 1H and 13C NMR, IR, and mass spectrometry. Biological screening against mycobacterium tuberculosis H37Ra identified compounds 4b, 4d, 4f, 4g , 4i, 4k, 6e, and 6f as significant antitubercular agents. Antibacterial evaluation at 30 µg/mL showed selective inhibition of gram‐positive bacteria, with compound 6e active against Staphylococcus aureus and Bacillus subtilis, and 6f showing activity specifically against S. aureus. Docking studies indicated effective InhA binding (ΔG = −3.52 to −7.27 kcal/mol) and inhibition constants ranging from 2640 to 4.71 µM. Key binding interactions with residues TYR156 and ILE192 were observed, enhancing affinity, particularly for compound 6e. The SAR analysis emphasized the enhanced antitubercular potency of 2‐chloroacetyl and 2,4‐dichlorobenzoyl substitutions in the dihydropyridine series, while in the chalcone series, specific substitutions, such as the 3‐nitro substitution in 6e, enhance antitubercular and antimicrobial potency due to stronger hydrogen bonding and increased polar surface area, while the 4‐fluoro substitution in 6f confers selective activity against S. aureus.
Investigation of Aggregation‐Induced Phosphorescence of Non‐Symmetric [Pt(C^N*N′^C′)] Complexes in Block Copolymer Micelles: Effects of Pt(II) Сomplex and Micellar Core
Authors: Zharskaia Nina A. , Durova Elizaveta V. , Solomatina Anastasia I. , Elistratova Anastasia A. , Vlasov Petr S. , Galenko Ekaterina E. , Khlebnikov Alexander F. , Tunik Sergey P. , Chelushkin Pavel S. 
Published: January 2025

AbstractThe aggregation‐induced phosphorescence emission (AIPE) phenomenon (emergence or increase in phosphorescence intensity as a result of aggregation of phosphorescent emitters) is regarded nowadays as an effective tool for improving brightness and tuning photophysical properties of phosphors. The intrinsic drawback of the aggregates featuring AIPE—their instability in aqueous dispersions, which hampers their utility in biomedical applications—can be overcome by their stabilization inside block copolymer micelles. Herein, we investigate the effects of both ligand and micellar core chemistries on the emergence of AIPE by using a series of the [Pt(C^N*N′^C′)] complexes embedded into three block copolymers with different micellar cores. It has been shown that the only micelles that supported AIPE revealed for the corresponding complexes in solid state are those with poly(ε‐caprolactone) cores. The latter observation can be explained by the ability of poly(ε‐caprolactone) to demonstrate non‐negligible swelling in water, the content of which in the micellar core formed by this polymer seems to be high enough to induce the aggregation of the complexes and the concomitant AIPE effect.
High Energy Storage Under the Regulation of Polymer Phase Structure
Authors: Su Yao , Liu Zhaobo , Yang Dandan , Li Wenyi , Ma Rong , Samarai Mustafa Al , Zhang Wenxiong , Huang Houbing , Fan Huiqing , Hu Dengwei 
Published: January 2025

AbstractDielectric nanocomposites have garnered significant interest owing to their potential applications in energy storage. However, achieving high energy density (Ue) and charge/discharge efficiency (η) remains a challenge in their fabrication. In this paper, core‐shell structured BaTiO3@Polyvinylpyrrolidone (BT@PVP) nanoparticles are prepared, and incorporated into a semi‐crystalline polyvinylidene fluoride (PVDF) matrix. The BT@PVP/PVDF nanocomposite film loaded with 5 vol.% BT@PVP nanoparticles show a maximum Ue of 18.39 J cm−3 at 458 MV m−1, which is almost 4 and 9 times greater than those of BT/PVDF (5.14 J cm−3 at 303 MV m−1) and biaxially oriented polypropylene (BOPP) (2 J cm−3 at 640 MV m−1), respectively. Notably, the highest charge/discharge efficiency of 79.80% has been achieved so far for ferroelectric inorganic‐filled PVDF composites. The reason why there are such excellent performances is mainly because of the interface coupling of inorganic–organic nanocomposite film and PVDF β phase transition with coating and extrusion of PVP molecules and large polarization of BT respectively. This research introduces a convenient and effective approach to designing high‐performance dielectric polymer nanocomposites.
Synergistic Binding Sites in a Robust and Scalable Metal–Organic Framework for Record CH4 Capture
Authors: Chang Miao , Li Yongsong , Tong Minman , Yang Jing , Ma Tianlin , Wang Yujie , Zheng Jiandong 
Published: January 2025

AbstractEffectual CH4 reclamation from CH4/N2 blends by existing physisorbents in industrialization confronts the adversity of frustrated separation performance, weak structural strength, and restricted scale‐up preparation. To solve aforesaid bottlenecks, herein, a strategy is presented to fabricate synergistic strong recognition binding sites in a robust and scalable optimum Cu(pma)2 with ultramicroporous feature regarding superb CH4 separation versus N2. By virtue of the synergistic contribution of multiple affinities accompanied by enormous potential field overlap of pore restriction, it imparts strong recognition binding toward CH4 molecules. Equilibrium adsorption bears a record KH, CH4 (88.2 cm3(STP) g−1 bar−1), CH4 uptake (48.5 cm3(STP) g−1 bar−1), CH4 stacking density (303.9 g L−1), separation potential (1.52 mol L−1) coexisting with one of the highest CH4/N2 selectivity (11.5) and Q0 st, CH4 (29.8 kJ mol−1) hitherto, authorizing a novel benchmark. Thermodynamically driven separation mechanisms within Cu(pma)2‐established synergy of strong recognition forces are deciphered by in situ PXRD and FT‐IR combined with theoretical studies. The breakthrough effect of the highest CH4 dynamic uptake (28.8 cm3(STP) g−1) in cooperation with exceptional recyclability and easy synthesis scalability under ambient conditions strengthened the attractiveness of Cu(pma)2.
Search Multiple Types of Research Assets From Jupyter Notebook
Authors: Li Na , Farshidi Siamak , Zhao Zhiming 
Published: January 2025

ABSTRACTObjectiveData science and machine learning methodologies are essential to address complex scientific challenges across various domains. These advancements generate numerous research assets such as datasets, software tools, and workflows, which are shared within the open science community. Concurrently, computational notebook environments like Jupyter Notebook, along with platforms like Google Colab and Kaggle Kernel, facilitate data science research and machine learning workflows, transforming data analysis, model development, and knowledge sharing processes. The proliferation of computational notebooks has further enriched the pool of valuable research assets. Researchers frequently require efficient access to these assets to advance their work, yet current tools often require navigating multiple websites and portals, leading to inefficiency and information overload. The challenge is compounded when relying on general web search engines that might not adequately highlight niche scientific resources.MethodsTo address these issues, we propose the development of an innovative Multiple Research Asset Search (MRAS) system designed to index diverse research assets from heterogeneous sources, offering a unified search interface for researchers. Our system aims to significantly improve the discovery of computational notebooks and datasets, facilitating data‐driven research.ResultsWe developed a pipeline for data extraction and indexing, reviewed and applied state‐of‐the‐art ranking algorithms, enhanced indexing documents with content analysis, and created a Jupyter extension for asset discovery within the working environment.ConclusionThis work is structured to detail our approach, literature review, system development, empirical validation, results, and conclusions, illustrating the potential impact of our MRAS system on scientific research efficiency.
Numerical evaluation of the internal fracture mechanism of horizontal loop connections in precast elements under the influence of transverse reinforcement
Authors: Karam Muhammad Shoaib , Nakamura Hikaru , Yamamoto Yoshihito , Sarraz Atik , Hameed Rashid 
Published: January 2025

AbstractThis study numerically evaluated the flexural capacity and fracture mechanism of precast reinforced concrete beams connected with in situ horizontal loop connections employing the three‐dimensional rigid body spring model (3D‐RBSM) for modeling of concrete and beam elements (BEs) for modeling of steel, respectively. The research analyzed the performance of continuous horizontal loop connections with and without transverse reinforcement, considering varying vertical spacing between loops and transverse steel ratios. The numerical model effectively captured the test load displacement relationships by incorporating the model parameters like Young's modulus, tensile strength, fracture energy, compressive strength, cohesion, and angle of internal friction for concrete along with mechanical properties of steel and revealed that loop joints without transverse reinforcement exhibited loop type failure. In contrast, specimens with transverse reinforcement improved the peak load and caused compression failure. It was discovered that transverse rebars on the continuous side of the joint experience more strain; particularly, the maximum strain occurred in the corner rebars within the curved sections of U‐rebars. Moreover, the increased vertical spacing between the loop rebars increased the diagonal crack propagation and demonstrated the loop‐type failure. Further, a larger circumferential area of transverse rebar offered greater bond strength and confinement to the concrete core and reproduced the maximum deformation capacity, ductility, and compression failure.
Pulmonary Delivery of Nonviral Nucleic Acid‐Based Vaccines With Spotlight on Gold Nanoparticles
Authors: Araujo Cirne Carolina , Foldvari Marianna 
Published: January 2025

ABSTRACTNucleic acid‐based vaccines are leading‐edge tools in developing next‐generation preventative care. Much research has been done to convert vaccine gene therapy from an invasive to a noninvasive administration approach. The lung's large surface area and permeability make the pulmonary route a promising noninvasive delivery option for vaccines, with systemic and local applications. This review summarizes the challenges and the approaches that have been carried out to optimize the delivery of nucleic acids through the pulmonary route for vaccination purposes in recent years, with a spotlight on gold nanoparticles (AuNPs). Nonviral delivery systems have been widely explored, and AuNPs with their unique properties are emerging as promising tools for nucleic acid vaccines due to surface functionalization with mucus‐penetrating polymers and targeting moieties that can bypass the barriers in pulmonary delivery and successfully deliver nucleic acids to the cells of interest. However, while promising, several challenges remain including selectively overcoming the lungs' immunological surveillance and adhesive mucus.
Barriers affecting the quality and consistency of barium studies in radiologists and registrars
Authors: Mangi Muhammad Faraz , Mangi Mohammad Danish , Lim WanYin 
Published: January 2025

Abstract
The barium swallow study is a fluoroscopic study which provides valuable insights into the motility, function and morphology of the pharynx, oesophagus, gastroesophageal junction, proximal stomach and duodenum. It has been observed that the skill of radiology doctors with barium swallow studies in adults has diminished. This reduced proficiency with barium swallow study is closely linked to and perpetuated by the heterogeneity of technique amongst radiologists. Factors pertaining to the individual radiologist, patient factors, healthcare factors, and the widespread use of alternative investigations have led to this increased variance in performing the barium swallow study. Despite this reduction in its usage, the study remains a valuable tool in the care of patients. We advocate for standardised guidelines to increase consistency and improve radiologist familiarity with this procedure.
Analysis of future climate variability under CMIP6 scenarios based on a downscaling method considering wet days in the upper Yangtze River basin, China
Authors: Han Xu , Bocchiola Daniele 
Published: January 2025

Abstract
According to recent studies, the past decade was the hottest on record, and climate change is accelerating. As part of the Yangtze River Basin, the largest river basin in China, the Upper Yangtze River Basin (UYRB) plays a crucial role as the primary source of hydropower. However, the UYRB is also one of the most climate-sensitive regions within the basin, making the impact of climate change on this area particularly critical. We downscaled CMIP6 GCMs’ outputs of precipitation (including wet/dry spells sequence correction), and temperature projections (2024–2100), under four typical Shared Socioeconomic Pathways (SSPs), and we pursued a trend analysis upon these potential future climate series. We found significant upward trends in temperature across all SSPs in August, but no significant trends in precipitation for the same month. Additionally, for SSP370 and SSP585, there are significant upward trends in temperature in December, while precipitation showed no significant trends during that month. This may result in drier winters than now, increased potential evapotranspiration, and reduced surface (snow) water storage, impacting water resources availability. Consecutive dry/wet days at station, and basin scale show spatial-temporal heterogeneity, but generally wet spells are longer, and dry spells shorten moving from South-East to North-West.
Spatiotemporal economic risk of national road networks to episodic coastal flooding and sea level rise
Authors: Paulik Ryan , Powell John , Wild Alec , Zorn Conrad , Wotherspoon Liam 
Published: January 2025

Abstract
This study delivers a spatiotemporal economic risk evaluation of New Zealand’s road network to extreme sea-level driven flooding and relative sea level (RSL) change from 2020 to 2120. A spatial risk analysis framework was developed to calculate direct monetary loss as the expected exceedance probability loss (EPL) and average annual loss (AAL) at the road component level. These risk metrics were estimated at national and regional levels between 2020 and 2120 using RSL projections for medium confidence Shared Socio-economic Pathways (SSP) and local vertical land motion (VLM). New Zealand’s direct economic risk was primarily driven by direct damage to local access, collector, and arterial roads. At national levels, expected road AAL at 2100 could occur 10 to 20 years earlier as downward VLM accelerates local RSL rise later this century. Regional VLM trajectories may cause expected AAL to occur 20 years earlier from downward land motion and 5 years later from upward motion. This signals a need for VLM inclusion in future economic risk evaluations of episodic coastal flooding at all spatial and temporal scales. The spatiotemporal model approach has future potential for road network risk hotspot identification and structural or non-structural adaptation intervention evaluation under future RSL change.
Validation and otolith-mass prediction of age and growth for cardinal snapper Pristipomoides macrophthalmus of the Caribbean Sea
Authors: Baremore Ivy E. , Andrews Allen H. , Gulak Simon J. B. , Graham Rachel T. , Witt Matthew J. , Shervette Virginia R. 
Published: January 2025

Abstract
Cardinal snapper Pristipomoides macrophthalmus is a commercially important, but commonly misidentified, deepwater species in artisanal and semi-industrial fisheries throughout the Caribbean Sea. As with many tropical deepwater fishes, little is known about the biology or ecology of the species. Bomb radiocarbon (14C) dating was applied to cardinal snapper sagittal otoliths collected from the waters of Belize and Honduras during 2015–2019 to investigate the lifespan of the species from thin-sectioned otoliths with an evaluation of otolith mass as a proxy for age. Ages estimated from 28 thin-sectioned otoliths ranged from 7 to 68 years for fish that covered the range lengths and otolith masses available. Radiocarbon values were measured for each cardinal snapper otolith core, and two fish (one each from Belize and Honduras) had 14C signatures consistent with pre-bomb values, effectively validating a lifespan of at least 60 years. A curvilinear relationship between otolith mass and estimated age was robust (r
2 = 0.95) and is likely to produce age estimates with similar margins of error to traditional, more labor-intensive methods, such as counting increments from thin-sectioned otoliths. The otolith mass-to-age relationship is a well-supported method that provides a simple, low-cost approach that can be used by fishers, managers, and other stakeholders to assess the age composition of the cardinal snapper stock in the western Caribbean Sea for present and long-term monitoring.
Black holes beyond General Relativity
Authors: Barausse Enrico , Kunz Jutta 
Published: January 2025

Abstract
Here, we will discuss some ideas for possible classical/semi-classical modifications of the black hole solutions in General Relativity (GR). These modifications/extensions include black holes in higher dimensions; black holes with additional gravitational fields, or fields beyond the Standard Model of Particle Physics; black holes in alternative classical theories of gravity and in semiclassical gravity; phenomenological models that extend the GR black hole solutions.
Can Gamification Foster Trust-Building in Human-Robot Collaboration? An Experiment in Virtual Reality
Authors: Riar Marc , Weber Mareike , Ebert Jens , Morschheuser Benedikt 
Published: January 2025

Abstract
With the increasing deployment of robots to support humans in various activities, a crucial factor that has surfaced as a precondition for successful human-robot interaction (HRI) is the human’s level of trust in the robotic companion. A phenomenon that has recently shifted into the foreground for its potential to influence cognitive and affective dimensions in humans is gamification. However, there is a dearth of knowledge whether and how gamification can be employed to effectively cultivate trust in HRI. The present study investigates and compares the effects of three design interventions (i.e., non-gamified vs. gameful design vs. playful design) on cognitive and affective trust between humans and an autonomous mobile collaborative robot (cobot) in a virtual reality (VR) training experiment. The results reveal that affective trust and specific trust antecedents (i.e., a robot’s likability and perceived intelligence) are most significantly developed via playful design, revealing the importance of incorporating playful elements into a robot’s appearance, demeanor, and interaction to establish an emotional connection and trust in HRI.
Adapting the difficulty of hands-on tasks to pupils’ prior knowledge: effects on challenge and skill development
Authors: Wammes Dannie , Kester Liesbeth , Slof Bert 
Published: January 2025

Abstract
Hands-on activities promote interest in engineering, but their use in primary education is under pressure due to doubts about their effect on learning. Based on the Challenge Point Framework, we hypothesized that an adaptive approach in which a pupil starts with tasks at its level of prior knowledge would raise the learning results of hands-on activities. This hypothesis was tested in a lesson about electric circuits. Two experiments were carried out that compared the adaptive with non-adaptive approaches. Skill levels of 444 nine to twelve-year-old pupils were measured with a performance-based task before and after a lesson in which they worked individually on tasks that matched or did not match their level of prior knowledge. Questionnaires were used to asses challenge adequacy. Skill levels were significantly higher at the post-test and a six-month delayed post-test but only for low performers on the pre-test. Starting with tasks that transcended the level of prior knowledge with a single level offered the optimal challenge for pupils with low levels of prior knowledge but reduced the results for pupils who knew more about electric circuits.
Simulation of semiconductor wafer dicing induced faults on chips and their application as augmentation method for a deep learning based visual inspection system
Authors: Friedrich Michael , Schlosser Tobias , Kowerko Danny 
Published: January 2025

Abstract
In semiconductor wafer dicing, one particular area of interest is the process of visual inspection to detect manufacturing defects that occur throughout the manufacturing process. Emerging defect patterns are typically in the micrometer range, translating to barely visible defects in pixel size on high-resolution imagery. The availability of rarely occurring defects is generally limited due to the labor-intensive nature of the related, highly specialized annotation task. Therefore, this contribution proposes a hybrid system for wafer and chip image data synthesis utilizing wafer and dicing path templates for the synthetic generation of large quantities of labeled flawless and, rarely, faulty chip and dicing street imagery. These are utilized for subsequent deep learning based defect detection and classification by employing a residual neural network as the core classifier for our visual inspection system. Our results show promising prospects when the original image data are supplemented with synthesized images by creating so-called composite data sets. Compared to the system’s baseline on the original data set, an F1-score-based relative improvement of up to 3.98 times was achieved. Furthermore, a novel synthetic-composite leave-one-out cross-validation (SC-LOOCV) method is proposed as a means to analyze the quality of our synthesized data for each specific wafer type. Based on these experiments, we scored a relative improvement of up to 5.99. For all our wafer types, overall relative improvement factors of 1.99 (composite) and 2.83 (SC-LOOCV) highlight the benefits of our realized system.