bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tethered Trimeric Small‐molecular Acceptors through Aromatic‐core Engineering for Highly Efficient and Thermally Stable Polymer Solar Cells
Authors: Chang Bowen , Zhang Yaogang , Zhang Cen , Zhang Ming , Wang Qingyuan , Xu Zheng'ao , Chen Qi , Bai Yang , Fu Hongyuan , Meng Shixin , Xue Lingwei , Kim Seoyoung , Yang Changduk , Yi Yuanping , Zhang Zhi‐Guo 
Published: February 2024

AbstractPolymer solar cells (PSCs) rely on a blend of small molecular acceptors (SMAs) with polymer donors, where thermodynamic relaxation of SMAs poses critical concerns on operational stability. To tackle this issue, tethered SMAs, wherein multiple SMA‐subunits are connected to the aromatic‐core via flexible chains, are proposed. This design aims to an elevated glass transition temperature (Tg) for a dynamical control. However, attaining an elevated Tg value with additional SMA subunits introduces complexity to the molecular packing, posing a significant challenge in realizing both high stability and power conversion efficiency (PCE). In this study, we initiate isomer engineering on the benzene‐carboxylate core and find that meta‐positioned dimeric BDY‐β exhibits more favorable molecular packing compared to its para‐positioned counterpart, BDY‐α. With this encouraging result, we expand our approach by introducing an additional SMA unit onto the aromatic core of BDY‐β, maintaining a meta‐position relative to each SMA unit location in the tethered acceptor. This systematic aromatic‐core engineering results in a star‐shaped C3h‐positioned molecular geometry. The supramolecular interactions of SMA units in the trimer contribute to enhancements in Tg value, crystallinity, and a red‐shifted absorption compared to dimers. These characteristics result in a noteworthy increase in PCE to 18.24 %, coupled with a remarkable short‐circuit current density of 27.06 mA cm−2. More significantly, the trimer‐based devices delivered an excellent thermal stability with over 95 % of their initial efficiency after 1200 h thermal degradation. Our findings underscore the promise and feasibility of tethered trimeric structures in achieving highly ordered aggregation behavior and increased Tg value in PSCs, simultaneously improving in device efficiency and thermal stability.
Numerical simulation on adsorption of CO2 using K2CO3 particles in the bubbling fluidized bed
Authors: Wang Shuyan , Kuang Guangjun , Shao Baoli , Chen Xi , Xie Lei , Ma Yimei 
Published: February 2024

AbstractWith the increase of greenhouse gas emissions, global warming has become an urgent problem, and the use of solid adsorbents to capture CO2 gas in flue gas has attracted more and more attention. In this study, the process of CO2 capture by K2CO3 particles in the bubbling fluidized bed (BFB) is numerically simulated with Eulerian–Eulerian(E–E) two fluid model incorporating with the kinetic theory of granular flows (KTGF). The results are verified through a detailed comparison with experimental data from Ayobi et al. Furthermore, Regarding the fundamental factors influencing CO2 adsorption rate is revealed, diminishing the inlet gas superficial velocity and augmenting the particle size of the solid adsorbent both contribute to improve adsorption performance. Specifically, the adsorption rate increases from 76.7% to 81.7% at the gas superficial velocity reducing from 1.10 to 0.71 m/s, while the adsorption rate from 77.6% to 79.7% with the particle size ranging from 400 to 600 μm. Additionally, the study delves into an exploration of fluid dynamic characteristics pertaining to gas particles within the bubbling fluidized bed while systematically considering varied inlet gas superficial velocities and particle sizes.
Hydrodynamic analysis of nanofluids flow over 45° inclined porous square cylinder using Darcy–Brinkman–Forchheimer model
Authors: Kaur Jaspinder , Ratan Jatinder Kumar , Melnik Roderick , Tiwari Anurag Kumar 
Published: February 2024

AbstractVarious engineering applications commonly involve the flow of nanofluids over a porous 45° inclined square cylinder. Therefore, the current study is to assess the impact of the Darcy parameter (Da), nanoparticle volume fraction (ϕ), and Reynolds number (Re) on the momentum transport characteristics over the 45° inclined porous square cylinder. The governing equations were solved numerically using the Darcy–Brinkman–Forchheimer model for different values of Da (
), nanoparticle volume fraction ϕ (
), and Reynolds number Re (
). The results for each parameter were visualized using streamline plots, velocity profiles within the porous cylinder, and vorticity contours. Complex flow behaviors were observed between Da = 10−3–10−2, flow separation detached and disappeared at the cylinder's downstream side at critical Darcy number. Drag and pressure coefficents are used to represent the global and local parameter of the flow fields. The pressure coefficient on the surface of the cylinder showed an inverse relationship with the nanoparticles volume fraction and Darcy number. The strength of the drag coefficient decreased with the addition of nanoparticles to the base fluid, with a decreasing trend observed for Da = 10−4–10−2 and no change observed for Da = 10−6–10−4. At last, the comparative analysis has been conducted between a porous square cylinder at 0° inclined and another 45° inclined.
Morphofunctional analysis of the gastrointestinal tract of an annual killifish: In search of structural traits related to the annual life history
Authors: Domínguez‐Castanedo Omar , Luna‐González Ximena , Valdez‐Carbajal Sharon , Muñoz‐Campos Tessy M. 
Published: February 2024

AbstractAnnual killifishes have active and voracious rates in acquisition of food resources with display of behaviors that allow them to maintain high metabolic rates to deal with the harsh and unpredictable conditions prevalent in temporary pools where they inhabit. The objective of this research was to describe histologically and ultrastructurally, the digestive system of the annual killifish Millerichthys robustus to identify morphological traits related to its annual life history and digestive physiology. Also, we quantify food items along the intestine as a proxy for rates of digestion. Millerichthys has a short digestive system, associated with a carnivorous diet, with no evidence of a stomach. Instead, the presence of pharyngeal jaws with caniform teeth was documented, related to the breakdown of invertebrate exoskeletons, allowing prey fluids to be tasted by taste corpuscles related to selection of food items, and that digestive enzymes penetrate once in the intestine. The histological morphology of the intestine showed four different regions, associated with its digestive rates: (i) reception of food from the esophagus with intact pray; (ii) digestion with enzymes from the pancreas and liver/gallbladder of simple exoskeleton prey (Entognatha), and beginning of absorption; (iii) absorption of nutrients, and digestion of large‐complex exoskeleton prey (Hexanauplia, Brachiopoda, and Ostracoda); and (iv) probable absorption of intact macromolecules. The second region of the intestine presented two anatomical loops and the highest thickness that may be related to reducing the speed of food transit, allowing for more efficient digestion given the large amount of food ingested by this species.
Extracting binding energies and binding modes from biomolecular simulations of fragment binding to endothiapepsin
Authors: Schmitz Birte , Frieg Benedikt , Homeyer Nadine , Jessen Gisela , Gohlke Holger 
Published: February 2024

AbstractFragment‐based drug discovery (FBDD) aims to discover a set of small binding fragments that may be subsequently linked together. Therefore, in‐depth knowledge of the individual fragments' structural and energetic binding properties is essential. In addition to experimental techniques, the direct simulation of fragment binding by molecular dynamics (MD) simulations became popular to characterize fragment binding. However, former studies showed that long simulation times and high computational demands per fragment are needed, which limits applicability in FBDD. Here, we performed short, unbiased MD simulations of direct fragment binding to endothiapepsin, a well‐characterized model system of pepsin‐like aspartic proteases. To evaluate the strengths and limitations of short MD simulations for the structural and energetic characterization of fragment binding, we predicted the fragments' absolute free energies and binding poses based on the direct simulations of fragment binding and compared the predictions to experimental data. The predicted absolute free energies are in fair agreement with the experiment. Combining the MD data with binding mode predictions from molecular docking approaches helped to correctly identify the most promising fragments for further chemical optimization. Importantly, all computations and predictions were done within 5 days, suggesting that MD simulations may become a viable tool in FBDD projects.
On the chemical abundance differences between the solar twin visual binary system 16 Cygni A and B
Authors: Takeda Yoichi 
Published: February 2024

AbstractThe visual binary system 16 Cyg A+B consists of similar solar twins, but a planetary companion is detected only in B. An intensive spectroscopic differential analysis is carried out to the Sun, 16 Cyg A, and 16 Cyg B, with particular attention being paid to (i) precisely establishing the differential atmospheric parameters/metallicity between A and B, and (ii) determining the important CNO abundances based on the lines of CH, NH, and OH molecules. The following results are obtained. (1) The Fe abundances (relative to the Sun) are [Fe/H]A = +0.09 and [Fe/H]B = +0.06 (i.e., A is slightly metal‐rich than B by +0.03 dex). This lends support to the consequences of recently published papers, while the conclusion once derived by the author (almost the same metallicity for A and B) is acknowledged to be incorrect. (2) The differential abundances ([X/H]) of volatile CNO with low (condensation temperature) are apparently lower than those of refractory Fe group elements of higher , leading to a positive gradient in the [X/H] versus relation being more conspicuous for A than B. This is qualitatively consistent with previous studies, though the derived slope is quantitatively somewhat steeper than that reported by other authors.
Assessing pragmatic language difficulties using the Revised Children's Communication Checklist‐2. Exploratory structural equation modeling and associations with restricted and repetitive behaviors
Authors: Keating Jennifer , Uljarević Mirko , van Goozen Stephanie H. M. , Abbot‐Smith Kirsten , Hay Dale F. , Leekam Susan R. 
Published: February 2024

AbstractIn this paper, we investigated the psychometric properties of the Child Communication Checklist‐Revised (CCC‐R) for the first time with an English‐speaking sample. We used a confirmatory application of exploratory structural equation modeling (ESEM) to re‐evaluate the CCC‐R's psychometric properties. We found strong support for its use as an assessment for pragmatic and structural language. Our second main aim was to explore associations between pragmatic and structural language and restricted and repetitive behaviors (RRBs), two hallmark characteristics of autism. We used the CCC‐R and Repetitive Behavior Questionnaire (RBQ‐2) to investigate these associations in a diverse non‐clinical sample of children, taking a transdiagnostic approach. We intentionally excluded autism and other neurodevelopmental diagnoses to test, (1) the CCC‐R in a broad sample and (2) the association between pragmatic language and RRB in children not already selected for that association. The sample comprised two groups of children, one was community sampled (n = 123) and the other (n = 143) included children with non‐specific behavioral, emotional and/or cognitive difficulties referred to an assessment unit by schools. We found clear associations between pragmatic language difficulties and RRBs in both groups. Regression analysis showed that pragmatic language was the only significant contributor to RRBs even after Grammatical‐Semantic score, age, sex, and socioeconomic status were controlled. The pattern was the same for both recruitment groups. However, the effects were stronger for the school‐referred group which also had more pragmatic difficulties, grammatical‐semantic difficulties and RRBs. A robust link between pragmatic language and RRBs, established in autism, has continuity across the broader non‐clinical population.
Machine learning for the management of biochar yield and properties of biomass sources for sustainable energy
Authors: Nguyen Van Giao , Sharma Prabhakar , Ağbulut Ümit , Le Huu Son , Truong Thanh Hai , Dzida Marek , Tran Minh Ho , Le Huu Cuong , Tran Viet Dung 
Published: February 2024

AbstractBiochar is emerging as a potential solution for biomass conversion to meet the ever increasing demand for sustainable energy. Efficient management systems are needed in order to exploit fully the potential of biochar. Modern machine learning (ML) techniques, and in particular ensemble approaches and explainable AI methods, are valuable for forecasting the properties and efficiency of biochar properly. Machine‐learning‐based forecasts, optimization, and feature selection are critical for improving biomass management techniques. In this research, we explore the influences of these techniques on the accurate forecasting of biochar yield and properties for a range of biomass sources. We emphasize the importance of the interpretability of a model, as this improves human comprehension and trust in ML predictions. Sensitivity analysis is shown to be an effective technique for finding crucial biomass characteristics that influence the synthesis of biochar. Precision prognostics have far‐reaching ramifications, influencing industries such as biomass logistics, conversion technologies, and the successful use of biomass as renewable energy. These advances can make a substantial contribution to a greener future and can encourage the development of a circular biobased economy. This work emphasizes the importance of using sophisticated data‐driven methodologies such as ML in biochar synthesis, to usher in ecologically friendly energy solutions. These breakthroughs hold the key to a more sustainable and environmentally friendly future.
Negative correlation between the Bern score and opening pressure in myelography positive spontaneous intracranial hypotension
Authors: Zhang Dan , Zhang Qiaowei , He Feifang , Hu Xingyue , Wang Jin 
Published: February 2024

AbstractObjectiveThe Bern score is based on brain magnetic resonance imaging (MRI) to predict the probability of cerebrospinal fluid (CSF) leak in spontaneous intracranial hypotension (SIH). The aim of this study is to investigate the association between lumbar puncture opening pressure (OP) and the Bern score.MethodsWe retrospectively reviewed OP measurement records and neuroimaging of patients with SIH in our center. The Bern score and its components were measured based on contrast‐enhanced brain MRI. The associations between OP and the Bern score, as well as its components, were analyzed. Patients were divided as low‐pressure (LP) group (OP < 60 mmH2O) and not‐low‐pressure (NLP) group (OP ≥ 60 mmH2O). Differences in terms of the Bern score and its components were compared between the two groups.ResultsSeventy‐one (mean age 40.4 ± 10.6 years) patients with myelography confirmed CSF leak were included in this study. The mean disease duration when performed brain MRI was 32 ± 29 days, with a mean Bern score of 5.1 ± 2.7 and a mean OP of 68.6 ± 60.3 mmH2O. There are statistically negative correlations between OP and the Bern score (p < .001), as well as suprasellar cistern (p < .01) and prepontine cistern (p < .01). The presence of venous engorgement (p < .01) and pachymeningeal enhancement (p < .001) were significantly associated with OP. The LP groups have higher Bern scores than the NLP group (5.9 ± 2.5 vs. 4.2 ± 2.6, p = .004).ConclusionsA higher Bern score is indicative of not only an increased likelihood of a CSF leak but also a greater probability of low OP in patients with SIH. For patients with a Bern score ≥5 and positive heavily T2‐weighted MR myelography findings, epidural blood patch is reasonable before invasive myelography.
Creating shared value in China: The case of Austrian businesses
Authors: Reindl Stefan 
Published: February 2024

AbstractThe objective of this study is to investigate the state of creating shared value (CSV) in China, where a number of societal pressures and issues, appear to offer businesses plentiful opportunities to apply the CSV model. The focus here lies on foreign businesses in China, which are commonly referred to as a key driving force behind China's economic growth. Following a review of relevant literature discussing both, the global as well as the Chinese context of companies “doing good,” this study utilizes online and in‐person interviews to gather additional data to derive more insight into recent business practices, specifically analyzing which level of “doing good” foreign businesses in China are currently engaging in. For this empirical component of the study, Austrian businesses in China serve as the target population. The study's findings show, that while “doing good” has been a relevant topic for foreign businesses in China, many are still engaging in simpler ways of “doing good,” such as philanthropy or Corporate Social Responsibility. Only few companies currently follow a CSV approach in China, yet a larger number find CSV a suitable approach for businesses in China, indicating that CSV does have potential as China continues her economic growth. The study concludes with recommendations for both, academia and business practice, and could potentially also serve as an inspiration for regulatory policies for foreign businesses in China.
Influencing optimistic bias: Moderating roles of perceived severity and proximity
Authors: Kim Hyuksoo , Lee YoungAh 
Published: February 2024

AbstractPrevious studies showed that optimistic bias is an important concept to influence individuals' health‐related behaviors. The current web‐based experimental study proposes that perceived susceptibility, perceived severity, proximity and perceived control are factors that influence one's optimistic bias. Optimistic bias was reduced when participants perceived high susceptibility because their perceived control decreased. Further, moderated moderated‐mediation analysis revealed the moderating role of (1) perceived severity between perceived susceptibility and perceived control and (2) proximity between perceived control and optimistic bias. The analyses of interaction effects empirically demonstrated that the effect of perceived susceptibility and perceived control on optimistic bias are contingent upon perceived severity and proximity. Theoretical and practical implications were discussed.
The power of influence: How social media influencers are shaping consumer decision making in the digital age
Authors: Mrisha Samuel Hudson , Xixiang Sun 
Published: February 2024

AbstractThe prevalence of social media influencer (SMI) marketing has compelled businesses to adjust to the changing landscape of the digital age. This adjustment is driven by the substantial influence that social media influencers (SMIs) wield over consumer decision‐making; however, prior research often treated SMI strategy, content, and credibility as separate elements, leaving a knowledge gap on how these elements intersect and collectively influence SMI and consumer behavior. This study aimed to bridge this research gap by synthesizing existing literature on SMIs and consumer decision making, with a focus on SMI strategy, content, and credibility. It employed a systematic literature review with a hybrid domain‐based approach, integrating the strengths of various review types while addressing their limitations. This study employed a constructivist qualitative methodology with a reflexive thematic analysis approach. It focused on synthesizing and analyzing literature from EBSCO databases on social media influencer marketing and consumer behavior, following carefully designed inclusion and exclusion criteria. The findings revealed that SMI Strategy, SMI Content, and SMI Credibility are interconnected components of SMI marketing, and even subtle modifications to these elements can significantly influence consumer decision‐making. This study provides a holistic understanding of SMI marketing, emphasizing the interplay of SMI strategy, content, and credibility in shaping consumer choices. It offers valuable insights for businesses navigating the dynamic landscape of SMI marketing increasing their comprehension of the phenomenon.
Larvicidal Activity against Spodoptera frugiperda of some Constituents from two Diospyros Species. In silico Pesticide‐likeness Properties, Acetylcholinesterase Activity and Molecular Docking
Authors: Pérez‐Valera Olivia , Torres‐Martínez Rafael , Nieto‐Camacho Antonio , Valencia Israel , Javier Espinosa‐García Francisco , Delgado Guillermo 
Published: February 2024

AbstractThis report informs for the first time the chemical constituents of Diospyros xolocotzii and Diospyros digyna, the pesticidal and the acetylcholinesterase (AChE) inhibition potential of some compounds calculated by in silico approaches, the larvicidal activity against Spodoptera frugiperda of available compounds, the AChE inhibition of selected compounds, and the results of the molecular docking of the most active ones with this receptor. From the aerial parts of D. xolocotzii were isolated pentacyclic triterpenes (1–4, 6, 10, 11–13), phytosterols (15–17), and isodiospyrin (18), whereas the analysis of aerial parts of D. digyna conducted to the isolation of pentacyclic triterpenes (4, 5, 7–9, 11–14), (4S)‐shinanolone (19), and scopoletin (20). For comparison purposes, origanal (21) was chemically prepared from 11. The in silico analysis showed that the tested compounds have pesticide potential. The larvicidal activities of 11>13>12 indicated that the increase of the oxidation degree at C‐28 increases their bioactivity. Compounds 11 and 21 presented the higher inhibition in the acetylcholinesterase assay, and the higher binding energies, and for the interactionswith AChE by molecular docking. Both Diospyros species are sources of triterpenes with pesticidal potential and the molecular changes in lupane triterpenes correlate with the observed bioactivity and molecular docking.