bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance
Authors: Deo Shyam , Kreider Melissa E. , Kamat Gaurav , Hubert McKenzie , Zamora Zeledón José A. , Wei Lingze , Matthews Jesse , Keyes Nathaniel , Singh Ishaan , Jaramillo Thomas F. , Abild‐Pedersen Frank , Burke Stevens Michaela , Winther Kirsten , Voss Johannes 
Published: March 2024

AbstractComputationally predicting the performance of catalysts under reaction conditions is a challenging task due to the complexity of catalytic surfaces and their evolution in situ, different reaction paths, and the presence of solid‐liquid interfaces in the case of electrochemistry. We demonstrate here how relatively simple machine learning models can be found that enable prediction of experimentally observed onset potentials. Inputs to our model are comprised of data from the oxygen reduction reaction on non‐precious transition‐metal antimony oxide nanoparticulate catalysts with a combination of experimental conditions and computationally affordable bulk atomic and electronic structural descriptors from density functional theory simulations. From human‐interpretable genetic programming models, we identify key experimental descriptors and key supplemental bulk electronic and atomic structural descriptors that govern trends in onset potentials for these oxides and deduce how these descriptors should be tuned to increase onset potentials. We finally validate these machine learning predictions by experimentally confirming that scandium as a dopant in nickel antimony oxide leads to a desired onset potential increase. Macroscopic experimental factors are found to be crucially important descriptors to be considered for models of catalytic performance, highlighting the important role machine learning can play here even in the presence of small datasets.
SOL impurity transport analysis with SONIC code with a kinetic effect on a thermal force transport model in JT‐60U
Authors: Kobayashi M. , Yamoto S. , Hoshino K. , Asakura N. , Homma Y. , Aiba N. , Nakano T. , Sano R. , Kawamura G. , Hayashi Y. 
Published: March 2024

AbstractThe latest version of the SONIC code with the extended thermal force model that is capable to treat collisionality dependence of the force has been applied to the interpretative simulation of L‐mode discharge of JT‐60 U to investigate the impact of kinetic correction of the thermal force on the scrape‐off layer (SOL) plasma properties. As a first attempt, we have selected an L‐mode attached discharge #39090 (Ip = 1.6 MA, Bt = 3.1 T, and PNBI = 4.5 MW), where  = 2.08 × 1019 m−3,  = 0.392 with deuterium plasmas. It has been found that the peak values of SOL impurity density are reduced by a factor of 2, with the kinetic correction, because the thermal force is reduced by the low collisionality of SOL plasma between the X‐point and the (inner and outer) midplane. On the other hand, the profiles near the divertor plates are unaffected by the kinetic correction due to the highly collisional condition. The kinetic correction is found more pronounced for the higher charge states impurity due to the charge dependence of the parallel impurity force balance. Overall effects due to the kinetic correction on the total impurity radiation and the divertor heat load are confirmed to be a few % in the present discharge condition of JT‐60U.
Chronic Effects of an Insect Growth Regulator (teflubenzuron) on the Life Cycle and Population Growth Rate of Folsomia candida
Authors: Xie Liyan , Slotsbo Stine , Ilyaskina Diana , Forbes Valery , Holmstrup Martin 
Published: March 2024

Abstract
Current standard toxicity tests on nontarget soil invertebrates mainly focus on the endpoints survival and reproduction. Such results are likely insufficient to predict effects at higher organizational levels, for example, the population level. We assessed the effects of exposure to the pesticide teflubenzuron on the collembolan Folsomia candida, by performing a full life-cycle experiment exposing single individuals via contaminated food (uncontaminated control and 0.2, 0.32, 0.48, 0.72, 1.08, and 1.6 mg/kg dry yeast). Several life-history traits were considered by following the growth and development of newly hatched individuals over a period of 65 days. We assessed survival, body length, time to first oviposition, cumulative egg production, and hatchability of eggs. A two-stage model was applied to calculate the population growth rate (λ) combined with elasticity analysis to reveal the relative sensitivity of λ to the effects of teflubenzuron on each life-history parameter. Body length was the least sensitive life-history parameter (median effective concentration = 1.10 mg teflubenzuron/kg dry yeast) followed by time to first oviposition (0.96 mg/kg), survival (median lethal concentration = 0.87 mg/kg), cumulative egg production (0.32 mg/kg), and egg hatchability (0.27 mg/kg). Population growth decreased with increasing concentrations of teflubenzuron (λ = 1.162/day in control to 1.005/day in 0.72 mg/kg dry yeast, with populations going extinct at 1.08 and 1.6 mg/kg dry yeast). Elasticity analysis showed that changes in juvenile survival had a greater impact on the population growth rate compared with the other life-history traits. Our study provides a comprehensive overview of individual-level effects of long-term exposure to teflubenzuron and integrates these effects to assess the potential risk to collembolan populations. Environ Toxicol Chem 2024;43:1173–1183. © 2024 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Using unsupervised capsule neural network reveal spatial representations in the human brain
Authors: Wang Gongshu , Jiang Ning , Liu Tiantian , Wang Li , Suo Dingjie , Chen Duanduan , Funahashi Shintaro , Yan Tianyi 
Published: March 2024

AbstractHumans can extract high‐level spatial features from visual signals, but spatial representations in the brain are complex and remain unclear. The unsupervised capsule neural network (U‐CapsNet) is sensitive to the spatial location and relationship of the object, contains a special recurrent mechanism and uses a self‐supervised generation strategy to represent images, which is similar to the computational principle in the human brain. Therefore, we hypothesized that U‐CapsNet can help us understand how the human brain processes spatial information. First, brain activities were studied using functional magnetic resonance imaging during spatial working memory in which participants had to remember the locations of circles for a short time. Then, U‐CapsNet served as a computational model of the brain to perform tasks that are identical to those performed by humans. Finally, the representational models were used to compare the U‐CapsNet with the brain. The results showed that some human‐defined spatial features naturally emerged in the latent space of U‐CapsNet. Moreover, representations in U‐CapsNet captured the response structure of two types of brain regions during different activity patterns, as well as important factors associated with human behavior. Together, our study not only provides a computationally feasible framework for modeling how the human brain encodes spatial features but also provides insights into the representational format and goals of the human brain.
The superior frontal sulcus in the human brain: Morphology and probability maps
Authors: Drudik Kristina , Petrides Michael 
Published: March 2024

AbstractThe superior frontal sulcus (SFS) is the major sulcus on the dorsolateral frontal cortex that defines the lateral limit of the superior frontal gyrus. Caudally, it originates near the superior precentral sulcus (SPRS) and, rostrally, it terminates near the frontal pole. The advent of structural neuroimaging has demonstrated significant variability in this sulcus that is not captured by the classic sulcal maps. The present investigation examined the morphological variability of the SFS in 50 individual magnetic resonance imaging (MRI) scans of the human brain that were registered to the Montreal Neurological Institute (MNI) standard stereotaxic space. Two primary morphological patterns were identified: (i) the SFS was classified as a continuous sulcus or (ii) the SFS was a complex of sulcal segments. The SFS showed a high probability of merging with neighbouring sulci on the superior and middle frontal gyri and these patterns were documented. In addition, the morphological variability and spatial extent of the SFS were quantified using volumetric and surface spatial probability maps. The results from the current investigation provide an anatomical framework for understanding the morphology of the SFS, which is critical for the interpretation of structural and functional neuroimaging data in the dorsolateral frontal region, as well as for improving the accuracy of neurosurgical interventions.
Counselor burnout, person–environment fit, and job crafting among school counselors: A person–centered approach
Authors: Çarkıt Ersoy 
Published: March 2024

AbstractThe present study explored the interrelationship among counselor burnout, person–environment fit, and job crafting via a latent profile analysis (LPA). Using a sample of 451 school counselors (76.9% women, 23.1% men) in Türkiye, the LPA revealed three distinct profiles regarding adaptation to the environment (maladaptive, average, and adaptive). The auxiliary variable analysis showed that career adaptability and its components (i.e., concern, control, curiosity, and confidence) increased the likelihood of school counselors’ membership in the adaptive group. In addition, the results showed significant mean differences in the levels of positive affect and negative affect across profile memberships, such that the adaptive group had the highest positive affect and the lowest negative affect. Implications are discussed.
Computational modeling of oligothiophenes‐based donor molecules to boost optoelectronic attributes of organic solar cells
Authors: Mubarik Adeel , Shafiq Faiza , Arunkumar Ammasi , Ju Xue‐Hai 
Published: March 2024

AbstractThe computational modeling of seven oligothiophene‐based donor molecules (TZ1–TZ7) designed by acceptor modification at the terminal position of the literature molecule (TZR) were discussed for organic solar cells (OSCs). DFT simulations using B3LYP/def2svp levels were performed to study the optoelectronic, and PV properties of TZ1–TZ7. A range of essential aspects for efficient small donor molecules like open circuit voltages (VOC), excitation energy (Ex), dipole moment (μ), density of state (DOS), absorption maxima (λmax), transition density matrix (TDM), binding energy (Eb), and frontier molecular orbitals (FMOs) of TZ1–TZ7 and TZR have also been investigated. DOS and FMOs analysis revealed a reduced energy gap (Eg) and effective charge transfer (CT) in the TZ1–TZ7 molecules. The absorption spectra were examined using TD‐DFT. Due to smaller Eg, Eb, Ex, and higher λmax, μ, the TZ1–TZ7 molecules exhibit remarkable optoelectronic properties. The computed VOC (0.969–1.189) and fill factor (0.886–0.897) for TZ1–TZ7 lead to improved power conversion efficiency (PCE) ranging from 14.05% to 17.60%. All compounds are strongly recommended for fabricating efficient OSCs with excellent PV properties. The current work is a step towards environmentally friendly organic PV and will pave the way for future structural engineering research for the efficient material design of OSCs.
The small extracellular vesicle‐mediated intercellular transformation of CXCR1Low to CXCR1High tumour cells promotes the progression of head and neck squamous cell carcinoma
Authors: Xu Qiaoshi , Cheng Aoming , Li Bo , Tian Xutengyue , Han Zhengxue , Feng Zhien 
Published: March 2024

AbstractThe heterogeneity of tumour cells enables cancers to dynamically adapt to microenvironmental stresses during progression. However, the mechanism underlying the transformation and intercellular communication between heterogeneous tumour cells has remained elusive. Here, we report a “contagion model” that mediates intercellular transformation between heterogeneous tumour cells which facilitates tumour progression. Initially identifying heterogeneous expression of CXCR1, a receptor for interleukin‐8, in head and neck squamous cell carcinoma (HNSCC) tumour cells, we found that CXCR1High tumour cells had higher abilities for migration and invasion. Following interleukin‐8‐mediated activation, CXCR1High cells transformed CXCR1Low cells into CXCR1High cells through the secretion of small extracellular vesicles (sEVs), which increased the proportion of CXCR1High cells and facilitated tumour progression. Mechanistically, we demonstrate that sEVs derived from interleukin‐8‐activated CXCR1High cells contain high levels of ATP citrate lyase (ACLY), which acetylates NF‐κB p65 and facilitates its nuclear translocation to transcribe CXCR1 in CXCR1Low cells. That process could be inhibited by Bempedoic acid, an FDA‐approved ACLY‐targeted drug. Taken together, our study reveals an sEV‐mediated transformation of CXCR1Low to CXCR1High cells that promotes HNSCC progression. This provides a new paradigm to explain the dynamic changes of heterogeneous tumour cells, and identifies Bempedoic acid as a potential drug for HNSCC treatment.
Identification of a novel orthonairovirus from ticks and serological survey in animals near China–North korea border
Authors: Li Fan , Li Jixu , Song Jingdong , Li De , Yin Qikai , Fu Shihong , Nie Kai , Cui Qianqian , Xu Songtao , Wei Qiang , Wang Huanyu 
Published: March 2024

AbstractEmerging pathogenic tick‐borne viruses (TBVs) have attracted a great deal of attention due to their significant impact on human and animal health. A novel orthonairovirus named Dadong virus (DDV) was isolated from Haemaphysalis concinna ticks in the Changbai Mountain region on the China–North Korea border. DDV can induce cytopathic effects in mammalian and human cell lines. Phylogenetic analysis showed that it belongs to the genus Orthonairovirus, family Nairoviridae, exhibiting 72.4%–81.3% nucleic acid identity to Tofla orthonairovirus, known to cause lethal infection in IFNAR KO mice. The first serological evidence of DDV circulating in cattle and mice was also obtained, with 4.0% (1/25) of cattle and 2.27% (1/44) of mice seropositive for DDV. Further investigations, including serological surveys using human samples, are required to assess the public health risk posed by DDV.
Increased matrix metalloproteinase‐2 in ligamentum flavum hypertrophy and the regulation of MMP‐2/TIMPs by elastin‐derived peptides
Authors: Zhuo Wen‐Hai , Hey Hwee Weng Dennis , Lam Wing Moon Raymond , Chan Xiaoyun Chloe , Lit Loo Hoey , Chiong Yong Soon , Wong Hee‐Kit 
Published: March 2024

AbstractThe study aimed to examine matrix metalloproteinase‐2 (MMP‐2) expression in a rat ligamentum flavum (LF) hypertrophy model in vivo, and the effect of elastin‐derived peptides (EDPs) on MMP‐2 and tissue inhibitors of metalloproteinases (TIMPs) in rat LF cells in vitro. Surgical destabilization was performed at the rat spinal L3/4 level to induce increased mechanical stress. Rats were killed at 6‐ and 12‐weeks postsurgery for histological staining, immunohistochemical staining, RT‐qPCR and western blot. 100 µg/mL EDPs were applied to isolated normal rat LF cells, with or without pretreatment of elastin receptor complex (ERC) inhibitors, to assess the expression of MMP‐2, TIMP‐1, and TIMP‐2. Spinal destabilization led to LF hypertrophy, observed through increased LF thickness and area, along with histological changes of chondrometaplasia and elastic fiber degradation. LF was also stained positively for Col I and Col II, where elastic fiber has broken down. MMP‐2 expression was notably elevated in the hypertrophied LF, accompanied by increased TIMP‐2 and TIMP‐3 levels. EDPs were found to suppress MMP‐2 expression and reduce TIMP‐1 and TIMP‐2 levels in rat LF cells. Interestingly, exposure to EDPs led to a significant rise in MMP‐2/TIMP‐1 and MMP‐2/TIMP‐2 ratios, dependent on the ERC. Collectively, the study suggests that increased MMP‐2 activity contributes to elastic fiber degradation in hypertrophied LF, generating EDPs that further enhance the MMP‐2/TIMPs ratio in LF cells in an ERC‐dependent manner. Further research is essential to delve into the mechanisms of EDPs in LF hypertrophy.
Environmental conditions in the Massif Central during the Upper Palaeolithic using stable isotope tracking (13C, 15N) of bone collagen from large herbivores
Authors: Drucker Dorothée G. , Fontana Laure 
Published: March 2024

ABSTRACTThe environmental conditions experienced by hunter‐gatherers during the second part of the Upper Palaeolithic (ca. 28 000–15 000 cal bp) are poorly known in the mid‐elevation volcanic mountains of the Massif Central in southern France. The stable isotope ratios of carbon and nitrogen (13C/12C and 15N/14N expressed as δ13C and δ15N values) in bone collagen of large herbivores can track their diet and habitat, reflecting local abiotic conditions (temperature, aridity, altitude). Due to poor preservation of skeletal organic matter in the region, new radiocarbon dating was conducted on a limited number of quality‐controlled collagen samples, based on a minimum carbon content of 30%. They document three main phases of occupation corresponding to the Final Gravettian, the Badegoulian and the Magdalenian, each of which is represented in different regions of the Allier and Loire valleys. Over time, a decrease in horse δ15N values, the best documented species of large herbivores, is found between the Final Gravettian (ca. 26 700–25 600 cal
bp), around the Last Glacial Maximum and the Badegoulian (ca. 21 900–19 200 cal
bp), followed by an increase in δ15N and δ13C values during the Magdalenian (ca. 19 100–16 600 cal
bp). During the Badegoulian, the δ15N values of the horses were lower than those of their counterparts in southwestern France, testifying to harsh climatic conditions favourable to a tundra‐like landscape, also reflected in the higher horse and reindeer δ13C values in the Allier valley compared to those in southwestern France. The relatively high δ13C and low δ15N values of a Final Gravettian wolf from the Allier valley suggests reindeer as a preferred prey, in line with their high abundance in the archaeological sites. Game access, rather than climatic conditions or lithic resources, seems to have motivated human groups to occupy the Massif Central during the Upper Palaeolithic.
Markers for meat provenance and authenticity with an account of its defining factors and quality characteristics – a review
Authors: Erasmus Sara Wilhelmina , Sohaib Muhammad , Revilla Isabel , Vivar‐Quintana Ana María , Giancoli Sophia Jennie 
Published: March 2024

AbstractProvenance is becoming increasingly important in meat supply chains as it lends products higher perceived quality. However, its precise definition and interpretation along with its associated characteristics factors have remained somewhat elusive. This review meticulously defines meat provenance while dissecting the essential factors and associated quality attributes that constitute its essence and are subsequently employed to establish pertinent markers for provenance. Meat provenance emerges as a multi‐dimensional construct stemming from the adept management of a constellation of factors relating to geographical origin, farm production system, traceability, and authenticity. Through intricate interactions, these factors unveil innate originality that not only forges a distinct reputation but also imparts a unique typicity to the meat product. Gaining insights into a meat product's provenance becomes attainable by scrutinizing its pertinent composition and organoleptic quality traits. Trace elements and stable isotopes stand out as provenance markers, forging a direct connection to both geographical origin and dietary sources. While somewhat less direct in linkage, other markers such as plant biomarkers, fatty acid composition, pH levels, flavour and aromatic compounds along with organoleptic characteristics contribute to the overall understanding of provenance. Additionally, the identification of animal species and breeds serves as key markers, particularly in the context of protected geographical indications. The study findings are useful for the various stakeholders of how the information for meat provenance can be linked with intrinsic and extrinsic factors for meat quality and protecting the integrity of the supply chain with special reference to traceability and authenticity. © 2024 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
No effect of dislocation status at arrival in emergency department on outcome of knee joint dislocations
Authors: Szymski Dominik , Huber Lorenz , Riedl Moritz , Rupp Markus , Alt Volker , Weber Johannes 
Published: March 2024

AbstractPurposeKnee dislocation is a rare but severe injury of the lower extremities. The aim of this study was to report on the epidemiology, diagnostics and treatment of such injuries and to identify negative predictors of clinical outcomes.MethodsThis retrospective analysis included all knee dislocations treated at a Level I Trauma Centre in Germany between 2009 and 2021. Medical records were categorised, collected and analysed in a standardised manner. A follow‐up visit 1 year after the injury focused on limitations in knee mobility.ResultsA total of 120 knee dislocations were included in the study. 29.3% of patients presented to the emergency department with a dislocated joint, and 17.5% (n = 21) had a neurovascular lesion. At follow‐up 12 months after the injury, 65.8% of the patients reported limitations in the range of motion, and 11.7% (n = 14) reported severe limitations in daily activities. Site infections due to surgery occurred in 3.3% of patients. Increased body weight (r = 0.294; p < 0.001 and r = 0.259; p = 0.004), an increased body mass index above 25 kg/m2 (body mass index, r = 0.296; p < 0.001 and r = 0.264; p = 0.004) and deficits in peripheral perfusion as well as sensory and motor function (r = 0.231; p = 0.040 and r = −0.192; p = 0.036) were found to be negative predictive factors for clinical outcome. For posttraumatic neurovascular injury, lack of peripheral perfusion, insufficient sensory and motor function (r = −0.683; p < 0.0001), as well as a higher Schenck grade (r = 0.320; p = 0.037), were identified as independent risk factors. The status of dislocation at the site of the accident and on arrival at the emergency department had no impact on the outcome or neurovascular injury.ConclusionKnee dislocation is a rare injury with a high rate of severe complications such as neurovascular lesions. In particular, the initial status of neurovascular structures and injury classification showed a relevant negative correlation with the posttraumatic status of nerves and vessels. In particular, patients with these characteristics need close monitoring to prevent negative long‐term consequences.Level of EvidenceLevel III.