bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular dynamics studies of the solubility behavior of carbon dioxide (CO2), difluoromethane (R‐32), 1‐chloro‐3,3,3‐trifluoropropene (R‐1233zd(E)) and 2,3,3,3‐tetrafluoro‐1‐propene (R‐1234yf) in pentaerythritol tetra(2‐ethylhexanoate) (PEB8), pentaerythritol tetrabutyrate (PEC4) and pentaerythritol tetraoctanoate (PEC8)
Authors: Bode Jan , Raabe Gabriele 
Published: July 2023

AbstractTo reduce the climate impact of thermal engines such as heat pumps or refrigeration machines, refrigerants with a low global warming potential need to be paired with fitting lubricants. As the contamination of those liquid components influences the efficiency and lifetime of these machines, knowledge about their solubility behavior is of great interest. Molecular simulations offer mighty tools to investigate these solubilities while giving structural insight into the systems. Here the solubility behavior of CO2, R‐32, R‐1233zd(E), and R‐1234yf in PEB8, PEC4, and PEC8 is compared through the solvation free energy ∆GSolv obtained by molecular dynamics simulations. To derive ∆GSolv at low computational cost, an iterative method is used to find an optimal number and distribution of intermediate states. The resulting distributions are investigated with regard to different parameters of the employed softcore‐potential. ∆GSolv values for the different refrigerant‐lubricant pairings at different temperatures are provided, followed by a structural analysis.
Macrophage autophagy contributes to immune liver injury in trichloroethylene sensitized mice: Critical role of TNF‐α mediating mTOR pathway
Authors: Ding Baiwang , Zhou Sifan , Wang Zhoujian , Liu Wei , Gao Lei , Ding Yani , Huang Hua , Zhu Qixing , Zhang Jiaxiang 
Published: July 2023

AbstractTrichloroethylene (TCE) induces occupational medicamentosa‐like dermatitis due to TCE (OMDT) with immune liver injury, and TNF‐α plays an important role in macrophage polarization and liver injury. However, TNF‐α regulating macrophage polarization in liver injury induced by TCE is still unknown. Thus, on the basis of our previous research, we established the TCE‐sensitized BALB/c mouse model with R7050, a specific inhibitor of TNFR1. Then, we observed significant decreases in autophagy related protein and gene levels in M1 macrophage in TCE positive group, and R7050 can relieve M1 macrophage autophagy. We also found the phosphorylated form of mammalian target of Rapamycin (mTOR) was activated and the expression of p‐mTOR protein increased induce by TCE. In vitro, we found TNFR1 and CD11c were increased in RAW264.7 cell line with TNF‐α. And then we use Zafirlukast (Zaf), an TNFR1 antagonist, CD11c and TNFR1 reduced significantly, we also found p‐mTOR expression increased after TNF‐α treatment, but decreased in TNF‐α + Zaf group. Further, we used Rapamycin (RAP), a mTOR‐specific inhibitor, to establish a TCE‐sensitized mice model and found the expression levels of p62 and p‐mTOR proteins increased and LC3B decreased in the TCE positive group, while RAP treatment reversed the trends of all of these proteins. Rapamycin prevented the TNF‐α‐induced p‐mTOR increase and dramatically downregulated IL‐1β expression in the RAW264.7 cell line with TNF‐α treatment. The results uncover a novel role for TNF‐α/TNFR1, which promotes M1 polarization of macrophage and suppresses macrophage autophagy via the mTOR pathway.
Optimal chromatic bound for (P2+P3,P2+P3¯ ${P}_{2}+{P}_{3},\bar{{P}_{2}+{P}_{3}}$)‐free graphs
Authors: Char Arnab , Karthick Thiyagarajan 
Published: July 2023

AbstractFor a graph , let () denote its chromatic (clique) number. A is the graph obtained by taking the disjoint union of a two‐vertex path and a three‐vertex path . A is the complement graph of a . In this paper, we study the class of ()‐free graphs and show that every such graph with satisfies . Moreover, the bound is tight. Indeed, for any and , there is a ()‐free graph with and .
Representation matters: A case study of ethnic matching aimed at building an environment of success for Black males
Authors: Fletcher Edward C. 
Published: July 2023

AbstractThe purpose of this study was to examine instructional and cultural supports that school stakeholders used to meet the needs of high school Black males participating in an academy of engineering. Based on interviews, three themes emerged: (a) representation matters—culturally responsive caring adults and role models; (b) teaching navigational life skills; and (c) targeted culturally responsive supports (or lack thereof). These factors promoted a culture conducive for engaging Black males and cultivated their success.
Synergistic effect of electrolyzed water generated by sodium chloride combined with dimethyl dicarbonate for inactivation of Listeria monocytogenes on lettuce
Authors: Shi Honghui , Li Chunliu , Lu Haixia , Zhu Junli , Tian Shiyi 
Published: July 2023

AbstractBACKGROUNDElectrolyzed water (EW) is recognized as an effective way to control and reduce pathogens in vegetables. However, the disinfection efficacy of EW alone is limited. In this work, the bactericidal activity and biofilm removal capability of EW, generated by adding NaCl to a portable EW generator, were investigated with special reference to Listeria monocytogenes. Furthermore, the impact of EW in combination with dimethyl dicarbonate (DMDC) in reducing the microbial load and improving the overall quality of lettuce during refrigerated storage was evaluated.RESULTSEW with 0.3% NaCl (SEW) had the highest bactericidal activity against L. monocytogenes. The pathogen treated with SEW exhibited lower superoxide dismutase activity and more leakage of proteins and nucleic acids than in the case of EW. Furthermore, the use of SEW resulted in changes in the cell permeability and morphology of L. monocytogenes. A decrease in adhesion and collapse of the biofilm architecture were also observed, indicating that SEW was more effective for inactivating L. monocytogenes cells compared to EW. For untreated lettuce, the populations of the total plate count and inoculated L. monocytogenes decreased by 2.47 and 2.35 log CFU g−1, respectively, after the combined SEW/DMDC treatment for 3 min. The use of SEW alone or combined with DMDC did not negatively impact the lettuce color values, titratable acid, ascorbic acid and soluble solids compared to the control group.CONCLUSIONSEW in combination with DMDC can be used as a novel and potentially effective disinfection strategy for ensuring the safety of vegetable consumption. © 2023 Society of Chemical Industry.
Nigella sativa oil mitigates xerostomia and preserves salivary function in radiotherapy‐treated mice
Authors: Luff Marie , Evans Lauran , Hiyari Sarah , Kwan Kera , Cameron Brian , Miller Amanda , St. John Maie , Alhiyari Yazeed 
Published: July 2023

AbstractObjectiveThis study aimed to assess if Nigella sativa oil (NSO), a health supplement containing thymoquinone as a major component, can act as a protective agent in salivary gland stem cells following radiotherapy (RT) damage.MethodsForty, 10‐week‐old, male C3H/HeJ mice were randomized to four experimental groups: sham RT + H2O gavage (control) (N = 4); 15 Gy RT + H2O gavage (N = 12); sham RT + NSO gavage (N = 12); and 15 Gy RT + NSO gavage (N = 12). Weight changes, saliva production, and salivary gland histopathologic staining were recorded for each group over the course of the experiment.ResultsAll mice in the sham RT + H2O gavage and sham RT + NSO gavage groups demonstrated 100% 60‐day survival. RT + H2O compared to RT + NSO gavaged mice were significantly underweight by an average of 6.4 g (p < .001). Salivary output showed significant decline in RT + H2O gavaged mice at days 3 and 16, whereas salivary output in RT + NSO during these same time periods was comparable to the control. At day 60, all mice that survived recovered salivary function regardless of their treatment arm. Salivary specimens from the RT + NSO gavage group demonstrated early signs of recovery of Kr 5+ salivary gland stem cells in both submandibular and sublingual glands at day 16 with complete recovery by day 60, marked by strong histopathologic staining, whereas the RT + H2O gavage group did not recover as effectively.ConclusionNSO may help preserve salivary function in mice treated with RT and may mitigate xerostomia by accelerating the recovery of salivary gland stem cells.Level of evidenceNot applicable.
Conjugated quantitative structure‐property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equation
Authors: Zankov Dmitry , Madzhidov Timur , Baskin Igor , Varnek Alexandre 
Published: July 2023

AbstractConjugated QSPR models for reactions integrate fundamental chemical laws expressed by mathematical equations with machine learning algorithms. Herein we present a methodology for building conjugated QSPR models integrated with the Arrhenius equation. Conjugated QSPR models were used to predict kinetic characteristics of cycloaddition reactions related by the Arrhenius equation: rate constant, pre‐exponential factor, and activation energy. They were benchmarked against single‐task (individual and equation‐based models) and multi‐task models. In individual models, all characteristics were modeled separately, while in multi‐task models,andwere treated cooperatively. An equation‐based model assessedusing the Arrhenius equation andandvalues predicted by individual models. It has been demonstrated that the conjugated QSPR models can accurately predict the reaction rate constants at extreme temperatures, at which reaction rate constants hardly can be measured experimentally. Also, in the case of small training sets conjugated models are more robust than related single‐task approaches.
Tank color influence on the Tomato Clownfish Amphiprion frenatus metamorphosis
Authors: Santos Tania Maria Lopes , Sousa Elen Monique de Oliveira , Tsuzuki Monica Yumi , Barcellos Leonardo José Gil , Nuñer Alex Pires de Oliveira 
Published: July 2023

Abstract

Objective
The color of the environment positively influences the development of some fish species. Thus, we evaluated whether different aquarium colors affected the metamorphosis process of Tomato Clownfish Amphiprion frenatus.

Methods
Operationally, we distributed the Tomato Clownfish larvae into white, yellow, blue, or black aquaria and monitored the larval development until 61 days posthatch.

Result
We found that environmental color influenced the early development of Tomato Clownfish and their metamorphosis process. In the black aquarium treatment, 87.2% of the larvae in block I completed metamorphosis and reached the juvenile stage, and 59.3% of larvae in block II completed metamorphosis (blocks represented two successive spawns). These high percentiles of metamorphosed larvae were not observed in the other tank color treatments.

Conclusion
Thus, our results suggest that the metamorphosis of Tomato Clownfish could be accelerated if the larviculture occurs in darker-color conditions, especially black aquaria. This result has practical and economic implications since Tomato Clownfish specimens are commercialized at the juvenile stage.
Smoking, information, and education: The Royal College of Physicians and the new public health movement
Authors: James Jonathan 
Published: July 2023

AbstractOn March 7, 1962 the Royal College of Physicians published a report entitled Smoking and Health that made the causal link between smoking and lung cancer clear and explicit. Using a historical data set that contains information on smoking from 1958 to 1965, I find a decrease in smoking for those with more schooling after the report's publication. I do not find a difference in the effect for those with greater access to information (measured by TV ownership or newspaper readership). This suggests the education health gradient is more likely due to processing of information rather than access to information.
Analysis of sample size for friction test of short fiber reinforced polymer composites
Authors: Guan Bo‐Wen , Zhang Yuan‐Yuan , Li Yuan‐Qing , Fu Shao‐Yun 
Published: July 2023

AbstractAccording to the recommendations of literature and standards, the minimum sample size for the friction test of thermoplastics is usually 3–5. While this size is valid for the friction test of neat polymer resins with homogeneous structures, its applicability to short fiber reinforced polymer composites with inhomogeneous structures remains unclear because the uneven distribution of discontinuous fibers or fillers in the matrix leads to the performance of the composites being dispersed. In this work, as a typical example, 100 friction samples made of short carbon fiber reinforced polyetherimide (SCF/PEI) composite with a typical content of 10 vol% SCFs are prepared, and their friction coefficients are measured. The maximum likelihood estimation and goodness of fit methods are employed to assess the fitting degree between the overall friction coefficient results and five mathematical distributions. The results show that the overall friction coefficient data distribution is in good agreement with the Lognormal, Generalized extreme value (GEV), and Burr distributions, respectively. Based on the fitting result, the minimum sample size is analyzed by Monte Carlo Simulation. It shows that the minimum sample size strongly depends on the property dispersion parameter (COV: coefficient of variation). Based on this parameter, the minimum sample size is given. In a practical test, the performance dispersion degree of a composite cannot be known in advance, hence a sample size determination method is proposed to yield a reasonable performance description parameter by applying the results of this work, and this method is validated by the overall test data.Highlights
Proposed a sample size determination method for practical friction tests.
The minimum sample size for the friction test is yielded statistically.
The minimum sample size strongly depends on a property dispersion parameter.
A new probe‐based electromagnetic non‐destructive testing method for carbon fiber‐reinforced polymers utilizing eddy current loss measurements
Authors: Yang Fan , Wu Dehui , Feng Hao 
Published: July 2023

AbstractEddy current testing (ECT) is a widely used technique for detecting defects in carbon fiber‐reinforced polymers (CFRPs) at high frequencies. However, designing high‐frequency systems can be challenging, and high noise levels can be problematic. To address these issues, non‐destructive testing (NDT) methods that can detect CFRP defects at lower frequencies must be explored. In this study, a novel NDT method for detecting defects in CFRP at low frequencies was proposed. This method is an alternative to pulsed eddy current thermography and can achieve similar detection and imaging results at low frequencies. Furthermore, the developed method has a simpler structure and is easier to implement. This method uses the eddy current loss to characterize the thermal power of the eddy current in CFRP. A new probe was used to detect the eddy current loss to inspect the CFRP. The effectiveness of the proposed method was experimentally verified using different types of CFRP samples based on the C‐scan technology. The scanned images demonstrate that the developed method can provide appropriate detection results up to a frequency of 750 kHz. Furthermore, rotation experiments were performed to detect the fiber direction; the proposed method successfully detected the fiber direction up to 750 kHz. Thus, the proposed method can improve the detection of defects and enhance the longevity of CFRP components. Future work will focus on enhancing the sensitivity of this method at even lower frequencies.
Temperature and soil nutrients drive seed traits variation in Pterocarpus erinaceus (African rosewood) in Ghana
Authors: Ansah Padmore B. , Addo‐Danso Shalom D. , Belford Ebenezer J. D. , Asomaning Joseph M. , Asare‐Ansah Abena B. , Fosu Naomi A. , Ankobiah Rosalinda A. 
Published: July 2023

AbstractAmong plant populations, variation in seed traits has important consequences on species recruitment and performance under different environmental conditions. Knowing such variations and understanding its environmental drivers could help with conservation efforts that protect against the loss of diversity. This information is however lacking in the extinction‐threatened Pterocarpus erinaceus Poir (African rosewood) in Ghana. Here, we assessed variation in seed set, seed morphological and chemical traits, germinability, and seedling growth of African rosewood from four distant provenances (Tumu, Wa, Carpenter, and Ejura) in Ghana. We sought to answer how local environmental conditions influence the expression of seed traits by examining the relationship between seed traits and maternal environmental factors (temperature, rainfall, soil nutrient, and vegetation index) using regression models and correlation analysis. Seed size, mass, and nutrient composition differed considerably among provenances. Seed size and mass increased as the seed source moved further away from the forest‐savanna transition toward the Guineo‐Sudanian savanna regions. Temperature mainly accounted for the variability observed in seed traits. Phenology curves of the seed source vegetation expressed a strong correlation with monthly rainfall. Overall, the occurrence of samara containing whole seeds was low (<50%) except for Tumu provenance. Seeds were rich in carbohydrate and crude protein content consistent with most leguminous plants while mean percentage germination ranged between 30 and 62% among provenances. Our results highlight the adaptive strategies of African rosewood to different environments through the expression of their seed traits and suggest the need for priority action to maintain its conservation.
Does deviant peer affiliation accelerate adolescents' cyberbullying perpetration? Roles of moral disengagement and self‐control
Authors: Wang Xingchao , Wang Shiyin , Zeng Xueqi 
Published: July 2023

AbstractCyberbullying perpetration has become an international public health concern among adolescents. Based on the general aggression model, the present study sought to examine whether deviant peer affiliation was significantly related to adolescents' cyberbullying perpetration, and whether moral disengagement mediated this association and self‐control moderated this mediation process. A total of 2286 Chinese adolescents (Mage = 13.46, SD = 0.93) completed a series of anonymous questionnaires regarding deviant peer affiliation, cyberbullying perpetration, moral disengagement, and self‐control. Results showed that adolescents who interacted with deviant peers were more likely to cyberbully others, which was mediated by moral disengagement. Self‐control moderated the association between deviant peer affiliation and moral disengagement and the relationship between moral disengagement and cyberbullying perpetration, but not the relationship between deviant peer affiliation and cyberbullying perpetration. Specifically, compared to high self‐control adolescents, low self‐control adolescents with high deviant peer affiliation were more likely to develop high moral disengagement and further engage in cyberbullying perpetration. The present study contributes to our understanding of the key mechanisms underlying the association between deviant peer affiliation and adolescents' cyberbullying perpetration.
Exploring the relationship between sleep apnea and vestibular symptoms following traumatic brain injury
Authors: Skop Karen M. , Bajor Laura , Sevigny Mitch , Swank Chad , Tallavajhula Sudha , Nakase‐Richardson Risa , Miles Shannon R. 
Published: July 2023

AbstractBackgroundTraumatic brain injury (TBI) is a complex health problem in military veterans and service members (V/SM) that often involves comorbid vestibular impairment. Sleep apnea is another comorbidity that may exacerbate, and/or be exacerbated by, vestibular dysfunction.ObjectiveTo examine the relationship between sleep apnea and vestibular symptoms in V/SM diagnosed with TBI of any severity.DesignMulticenter cohort study; cross‐sectional sample.SettingIn‐patient TBI rehabilitation units within five Veterans Affairs (VA) Polytrauma Rehabilitation Centers.ParticipantsV/SM with a diagnosis of TBI (N = 630) enrolled in the VA TBI Model Systems study.InterventionNot applicable.MethodsA multivariable regression model was used to evaluate the association between sleep apnea and vestibular symptom severity while controlling for relevant covariates, for example, posttraumatic stress disorder (PTSD).Main Outcome MeasuresLifetime history of sleep apnea was determined via best source reporting. Vestibular disturbances were measured with the 3‐item Vestibular subscale of the Neurobehavioral Symptom Inventory (NSI).ResultsOne third (30.6%) of the sample had a self‐reported sleep apnea diagnosis. Initial analysis showed that participants who had sleep apnea had more severe vestibular symptoms (M = 3.84, SD = 2.86) than those without sleep apnea (M = 2.88, SD = 2.67, p < .001). However, when the data was analyzed via a multiple regression model, sleep apnea no longer reached the threshold of significance as a factor associated with vestibular symptoms. PTSD severity was shown to be significantly associated with vestibular symptoms within this sample (p < .001).ConclusionAnalysis of these data revealed a relationship between sleep apnea and vestibular symptoms in V/SM with TBI. The significance of this relationship was affected when PTSD symptoms were factored into a multivariable regression model. However, given that the mechanisms and directionality of these relationships are not yet well understood, we assert that in terms of clinical relevance, providers should emphasize screening for each of the three studied comorbidities (sleep apnea, vestibular symptoms, and PTSD).
Role of Acids in Producing Ultrabright, Dual‐Emissive Carbon Dots and their Urea/Biuret Composites with Ultralong Afterglow
Authors: Yan Dong , Zhang Zhiying , Liu Yun , Guan Yan , Sun Dongming 
Published: July 2023

AbstractSince 2015, m‐phenylenediamines (mPD) have become a popular carbon source for the synthesis of carbonized polymer dots (CPDs). However, their exact fluorescence mechanism is still obscure. To elucidate this, inorganic acids that are carbon‐free are chosen as additives for a comparative study. It is found that the green fluorescence quantum yield (nearly 80%), photostability, and reaction yield (over 90%) can be enhanced by introduction of most of inorganic acids with moderate amount. Besides, green‐blue dual emission is observed in acid‐assisted groups. UV‐vis absorption, Fourier‐transform infrared spectroscopy, and surface‐enhanced Raman scattering results indicate that the green fluorescence center is composed of quinoid rings, whereas the blue fluorophore contains benzenoid rings. Moreover, room‐temperature afterglow with lifetime up to 1.25 s is observed exclusively in acid‐assisted CPDs composites with urea/biuret. The blue chromophore is proposed to be the origin of the triplet level that induces the long afterglow. This work provides an in‐depth understanding on the macromolecular structures of CPDs derived from phenylenediamines, and contributes a new line of thought to the origin of phosphorescence in N‐doped carbon dots.
Ultraviolet‐Light–Triggered Coalescence of Liquid Marbles for Multistep Microreactions
Authors: Lv Qianrui , Li Jiaqi , Wang Ruili , Zhang Lijing 
Published: July 2023

AbstractLiquid marbles show promising potential for application in the microreaction field. The efficient and precise approach for the remote coalescence of liquid marbles is desirable. Herein, the ultraviolet‐light–induced wettability transition of TiO2 nanoparticles is exploited to develop an ingenious approach for efficient and controlled coalesce of contacting liquid marbles containing separate reagents. This approach is generic and provides ideas for the on‐demand initiation of multistep microreactions inside liquid marbles.