bluuebunny/crossref_metadata_2025_split huggingface dataset:
Food insecurity impacts diet quality and adherence to the gluten‐free diet in youth with celiac disease
Authors: Wang Xinyi , Anders Sven , Jiang Zhiqian , Bruce Marcia , Gidrewicz Dominica , Marcon Margaret , Turner Justine M. , Mager Diana R. 
Published: October 2024

AbstractObjectivesCeliac disease (CD) is an autoimmune gastrointestinal disorder that requires a strict lifelong gluten‐free diet (GFD). Gluten‐free (GF) foods are more expensive and less readily accessible than gluten‐containing foods, contributing to an increased risk for food insecurity (FI). The study aimed to determine associations between GF‐FI, sociodemographic risk factors and child dietary adherence and diet quality (DQ).MethodsA 26‐item, cross‐country online survey was administered through social media to parents of children with CD on the GFD. The survey elicited household and CD child sociodemographic and clinical characteristics (e.g., duration of CD), measures of household FI, child DQ and GFD adherence, and parents' concerns related to GF food. Household GF‐FI was evaluated using the validated Hunger Vital Sign™ and the US Department of Agriculture Six‐Item Short Form Household Food Security Survey Module.ResultsGF‐FI occurred in 47% of households with children with CD with >30% reporting low to very low food security. Sociodemographic risk factors identified included lower income, renters, rural residency, single‐parental households, and having children with additional dietary restrictions (p < 0.001). Regardless of FI status, a majority of households reported experiencing significantly higher GF food expenditure. GF‐FI was associated with reduced adherence to the GFD, increased consumption of processed GF food, and lower intakes of fresh fruits and vegetables and GF grains among children with CD (p < 0.05).ConclusionsGF‐FI is prevalent in this multiethnic cohort of households with CD children and is associated with worsening DQ and GFD adherence. Policy interventions are urgently needed to address GF‐FI.
Raman Thermometry for Temperature Assessment of Inorganic Transformations During Microwave Heating
Authors: Jamboretz John , Birkel Christina S. 
Published: October 2024

ABSTRACTMicrowave heating is an intriguing method for the synthesis of inorganic solids offering a variety of advantages over conventional furnace heating, such as fast heating and cooling rates as well as volumetric and selective heating of precursors. However, there are many open questions regarding this “black‐box” process, and insights into the effect of microwave radiation on different types of solids are generally missing. In situ Raman spectroscopy is a powerful technique to unravel chemical transformations and identify intermediate species during microwave solid‐state syntheses. A major challenge is the temperature measurement under microwave conditions because (metallic) thermocouples cannot be used and optical pyrometry has significant drawbacks. In contrast, Raman thermometry is a viable method that relies on the temperature‐induced shift of Raman signals. Here, we use this method to estimate the temperature during microwave heating of a model system (titania) that undergoes a phase transition at temperatures >800°C. The estimation is derived from a flexible double exponential calibration function applied to Raman spectroscopic peak shifts in the temperature‐resolved furnace heating data, which was found to describe two titania modes (one anatase and one rutile) extremely well. Based on a detailed error and uncertainty analysis, we suggest options to further optimize Raman thermometry for use in high‐temperature microwave heating conditions.
Liver Resection With Extrahepatic Disease: A Population‐Based Analysis of Thoughtful Selection
Authors: Mahuron Kelly M. , Hernandez Matthew C. , Wong Paul , Fan Darrell , Ituarte Philip H. G. , Raoof Mustafa , Singh Gagandeep , Fong Yuman , Melstrom Laleh G. 
Published: October 2024

ABSTRACTBackgroundThe oncologic benefit of liver resection for colorectal liver metastases (CRLM) in the setting of concurrent extrahepatic disease (EHD) is controversial. We performed a population‐based, cross‐sectional study to determine the practice patterns and overall survival (OS) of patients with CRLM + EHD who underwent liver resection.MethodsPatients with CRLM + EHD were identified using the California Cancer Registry from 2000 to 2019. Records were linked to the Office of Statewide Health Planning Inpatient Database. Patient demographics, clinical characteristics, and survival were compared between CRLM + EHD patients with and without liver resection.ResultsOf 170 978 patients with CRLM, 62 003 (36%) had concurrent EHD (CRLM + EHD). In all, 3736 (6%) of CRLM + EHD underwent liver resection compared to 22% of patients with liver limited CRLM. Compared to CRLM + EHD without liver resection, CRLM + EHD with resection were younger, had fewer comorbidities, received higher frequencies of perioperative chemotherapy, and were more likely to have only a single site of EHD rather than multiple sites. Median OS was significantly higher for CRLM + EHD with resection compared to without (52 vs. 27 months, HR 0.46 [95% CI 0.44–0.47], p < 0.001). Regarding the location of EHD, this survival benefit was observed with liver resection for lung, peritoneal, intraabdominal lymph nodes, ovarian, and bone metastases.ConclusionsIn a large population‐based setting, subsets of CRLM + EHD patients that undergo liver resection are associated with prolonged survival. These results support surgery with thoughtful patient selection to optimize survival outcomes in this population.
Habitat suitability and relative abundance of wild boars in the east‐central Tianshan Mountains, China
Authors: Gao Zikun , Wang Ruifen , Yang Yang , Jin Shuyu , Wang Xingzhe , Sun Qiaoqi , Shi Kun 
Published: October 2024

AbstractAs wild boar populations and their distribution ranges increase, human–wild boar conflicts have become increasingly prevalent in numerous regions across the globe. These conflicts have a profound impact on human livelihoods, resulting in significant economic losses. Understanding the habitat requirements and relative abundance of wild boars is crucial prior to implementing any conservation measures. However, studies on wild boar habitat and population in the central and eastern regions of the Tianshan Mountains in China are lacking. We assessed the activity patterns and relative abundance of wild boars in these areas and evaluated habitat suitability using a combination of camera trapping, line transects, species distribution modeling (maximum entropy model), and hierarchical abundance modeling (Bayesian N‐mixture model). We used 311 infrared cameras and 280 field‐based line transects to cover approximately 31,000 km² from September 2022 to May 2023 in the east‐central Tianshan Mountains. We used 240 wild boar distribution locations and 13 environmental predictors in the development of species distribution models. We also used species counts and associated environmental predictors in the N‐mixture model to estimate the relative abundance of wild boar. Wild boars were most active during crepuscular hours (1800), and relatively active in the diurnal period compared to the nocturnal period. The probability of wild boar occurrence increased with higher normalized difference vegetation index (NDVI), the minimum temperature of the coldest month, and annual temperatures below 39°C. Boars were most likely to be found in closed deciduous‐coniferous forests. The relative abundance of wild boars was positively affected by NDVI and negatively affected by the minimum temperature of the coldest month and temperature annual range. Based on our results, we suggest areas of management priority. In particular, extensive and intact habitat with substantial wild boar populations, such as the Banfanggou, the South Mountain of Urumqi, and the Hutubi, should be prioritized for long‐term wild boar population monitoring and management so the adverse impacts of increasing wild boar populations in the study region can be minimized.
FGFR2 in the Development and Progression of Cutaneous Squamous Cell Cancer
Authors: Kallenberger Ethan M , Khandelwal Alok , Nath Priyatosh , Nguyen Shaun A. , DiGiovanni John , Nathan Cherie‐Ann 
Published: October 2024

ABSTRACTCutaneous squamous cell carcinoma (cSCC) is an increasingly common malignancy of the skin and the leading cause of death from skin cancer in adults over the age of 85. Fibroblast growth factor receptor 2 (FGFR2) has been identified as an important effector of signaling pathways that lead to the growth and development of cSCC. In recent years, there have been numerous studies evaluating the role FGFR2 plays in multiple cancers, its contribution to resistance to anticancer therapy, and new drugs that may be used to inhibit FGFR2. This review will provide an overview of our current understanding of FGFR2 and potential mechanisms in which we can target FGFR2 in cSCC. The goals of this review are the following: (1) to highlight our current knowledge of the role of FGFR2 in healthy skin and contrast this with its role in the development of cancer; (2) to further explain the specific molecular mechanisms that FGFR2 uses to promote tumorigenesis; (3) to describe how FGFR2 contributes to more invasive disease; (4) to describe its immunosuppressive effects in skin; and (5) to evaluate its effect on current anticancer therapy and discuss therapies on the horizon to target FGFR2 related malignancy.
Plug‐and‐play segment anything model improves nnUNet performance
Authors: Li Yunxiang , Jing Bowen , Li Zihan , Wang Jing , Zhang You 
Published: October 2024

AbstractBackgroundThe automatic segmentation of medical images has widespread applications in modern clinical workflows. The Segment Anything Model (SAM), a recent development of foundational models in computer vision, has become a universal tool for image segmentation without the need for specific domain training. However, SAM's reliance on prompts necessitates human‐computer interaction during the inference process. Its performance on specific domains can also be limited without additional adaptation. In contrast, traditional models like nnUNet are designed to perform segmentation tasks automatically during inference and can work well for each specific domain, but they require extensive training on domain‐specific datasets.PurposeTo leverage the advantages of both foundational and domain‐specific models and achieve fully automated segmentation with limited training samples, we propose nnSAM, which combines the robust feature extraction capabilities of SAM with the automatic configuration abilities of nnUNet to enhance the accuracy and robustness of medical image segmentation on small datasets.MethodsWe propose the nnSAM model for small sample medical image segmentation. We made optimizations for this goal via two main approaches: first, we integrated the feature extraction capabilities of SAM with the automatic configuration advantages of nnUNet, which enables robust feature extraction and domain‐specific adaptation on small datasets. Second, during the training process, we designed a boundary shape supervision loss based on level set functions and curvature calculations, enabling the model to learn anatomical shape priors from limited annotation data.ResultsWe conducted quantitative and qualitative assessments on the performance of our proposed method on four segmentation tasks: brain white matter, liver, lung, and heart segmentation. Our method achieved the best performance across all tasks. Specifically, in brain white matter segmentation using 20 training samples, nnSAM achieved the highest DICE score of 82.77 ( 10.12) % and the lowest average surface distance (ASD) of 1.14 ( 1.03) mm, compared to nnUNet, which had a DICE score of 79.25 ( 17.24) % and an ASD of 1.36 ( 1.63) mm. A sample size study shows that the advantage of nnSAM becomes more prominent under fewer training samples.ConclusionsA comprehensive evaluation of multiple small‐sample segmentation tasks demonstrates significant improvements in segmentation performance by nnSAM, highlighting the vast potential of small‐sample learning.
Industrial‐Scale Preparation of Nanocrystalline n‐Type Silicon Oxide Front Contacts Using N2O as an Oxygen Source for High‐Efficiency Silicon Heterojunction Solar Cells
Authors: Peng Chen‐Wei , Zou Shuai , He Chenran , Zhang Dramon , Wu Hongfan , Dong Gangqiang , Wu Haihong , Yu Cao , Zeng Yulian , Wang Zipeng , Dai Longfei , Su Xiaodong 
Published: October 2024

ABSTRACTThe advantage of employing an n‐type hydrogenated nanocrystalline silicon oxide (nc‐SiOx:H) layer as the front surface field (FSF) in silicon heterojunction (SHJ) solar cells is due to its low optical absorption coefficient and tunable refractive index. However, carbon dioxide (CO2) gas, one of the major precursor gases in the nc‐SiOx:H layer, deteriorates the crystallinity, which is one of the key factors affecting cell performance. Here, we successfully deposited a nc‐SiOx:H FSF layer with high crystallinity for SHJ solar cells by using nitrous oxide (N2O) as an alternative oxygen source instead of existing CO2. Compared with the use of CO2, the use of N2O as an oxygen source can achieve a 10% ~ 15% increase in the deposition rate of the nc‐SiOx:H layer, which can shorten the total processing tact‐time, thus having the potential to reduce production costs in large‐scale industrial applications. The influence of N2O as an oxygen source on the film properties was also investigated. By optimizing the proportion of N2O in the precursor gases, we finally fabricated 274.5 cm2‐area SHJ solar cells with an in‐house average efficiency of 25.76%, which is approximately 0.1%abs higher than that of their reference counterparts (using CO2 as an oxygen source), and obtained a certified efficiency of 25.79% for the champion cell independently confirmed by the ISFH CalTeC in Germany.
Boosting Dry Reforming of Methane Over NiCo/CeO2 Catalysts Treated by Hydrogen Plasma
Authors: Zhang Luyue , Huang Zhiyuan , Zhu Bin , Zhang Xiaomin , Zhu Yimin 
Published: October 2024

ABSTRACTNickel (Ni)‐based catalysts are prospective materials for dry reforming of methane (DRM) reaction, but suffer from coke formation and limited activity for CO2 conversion. To improve the reactivity of Ni‐based catalysts, a promising strategy is introducing cobalt (Co) metal. Here, we construct highly efficient NiCo sites on CeO2 support by H2 plasma, which enables the catalyst to obtain a remarkable increase in DRM reaction than the samples treated by conventional H2 reduction. H2 plasma treatment results in the formation of highly dispersed NiCo alloy nanoparticles and high‐concentration oxygen vacancy. These features create large numbers of highly active sites to boost the activation of CH4 and especially CO2 and their catalytic reactions, resulting in strong coke resistance in the DRM reaction.
Nitrogen‐Nitrogen Bond Breaking in Irradiation Products of Hexanitrohexaazaisowurtzitane (CL‐20)
Authors: Beste Ariana 
Published: October 2024

AbstractWhile the primary result of an interaction of ionizing radiation with an organic material is the ejection of electrons from molecular orbitals producing cations, the free electrons can further interact, yielding excited states; and, potentially, anions. In this work, we computed reaction barriers and energies for N−N bond breaking in the CL‐20 cation, anion, and excited state to investigate if CL‐20 degradation is accelerated after radiation exposure. We focused on N−N bond dissociation because it is the rate‐determining step in the thermal degradation of CL‐20. We found that N−N cleavage rapidly takes place in the CL‐20 cation and anion with greatly reduced reaction energies as compared to CL‐20. We also outlined a potential path for photodissociation of the N−N bond. While CL‐20 is kinetically stable, initial degradation occurs readily in its irradiation products. This is of importance for the performance of the explosive after high‐dose exposure and influences aging if CL‐20 is irradiated at a low dose over extended periods of time.
Diversity and structural‐functional insights of alpha‐solenoid proteins
Authors: Arrías Paula Nazarena , Osmanli Zarifa , Peralta Estefanía , Chinestrad Patricio Manuel , Monzon Alexander Miguel , Tosatto Silvio C. E. 
Published: October 2024

AbstractAlpha‐solenoids are a significant and diverse subset of structured tandem repeat proteins (STRPs) that are important in various domains of life. This review examines their structural and functional diversity and highlights their role in critical cellular processes such as signaling, apoptosis, and transcriptional regulation. Alpha‐solenoids can be classified into three geometric folds: low curvature, high curvature, and corkscrew, as well as eight subfolds: ankyrin repeats; Huntingtin, elongation factor 3, protein phosphatase 2A, and target of rapamycin; armadillo repeats; tetratricopeptide repeats; pentatricopeptide repeats; Pumilio repeats; transcription activator‐like; and Sel‐1 and Sel‐1‐like repeats. These subfolds represent distinct protein families with unique structural properties and functions, highlighting the versatility of alpha‐solenoids. The review also discusses their association with disease, highlighting their potential as therapeutic targets and their role in protein design. Advances in state‐of‐the‐art structure prediction methods provide new opportunities and challenges in the functional characterization and classification of this kind of fold, emphasizing the need for continued development of methods for their identification and proper data curation and deposition in the main databases.
BEAN and HABAS: Polyphyletic insertions in the DNA‐directed RNA polymerase
Authors: Alvarez‐Carreño Claudia , Huynh Angela T. , Petrov Anton S. , Orengo Christine , Williams Loren Dean 
Published: October 2024

AbstractThe β and β′ subunits of the RNA polymerase (RNAP) are large proteins with complex multi‐domain architectures that include several insertional domains. Here, we analyze the domain organizations of RNAP‐β and RNAP‐β′ using sequence, experimentally determined structures and AlphaFold structure predictions. We observe that lineage‐specific insertional domains in bacterial RNAP‐β belong to a group that we call BEAN (broadly embedded annex). We observe that lineage‐specific insertional domains in bacterial RNAP‐β′ belong to a group that we call HABAS (hammerhead/barrel‐sandwich hybrid). The BEAN domain has a characteristic three‐dimensional structure composed of two square bracket‐like elements that are antiparallel relative to each other. The HABAS domain contains a four‐stranded open β‐sheet with a GD‐box‐like motif in one of the β‐strands and the adjoining loop. The BEAN domain is inserted not only in the bacterial RNAP‐β′, but also in the archaeal version of universal ribosomal protein L10. The HABAS domain is inserted in several metabolic proteins. The phylogenetic distributions of bacterial lineage‐specific insertional domains of β and β′ subunits of RNAP follow the Tree of Life. The presence of insertional domains can help establish a relative timeline of events in the evolution of a protein because insertion is inferred to post‐date the base domain. We discuss mechanisms that might account for the discovery of homologous insertional domains in non‐equivalent locations in bacteria and archaea.
Gating residues govern ligand unbinding kinetics from the buried cavity in HIF‐2α PAS‐B
Authors: Silvestrini Marion L. , Solazzo Riccardo , Boral Soumendu , Cocco Melanie J. , Closson Joseph D. , Masetti Matteo , Gardner Kevin H. , Chong Lillian T. 
Published: October 2024

AbstractWhile transcription factors have been generally perceived as “undruggable,” an exception is the HIF‐2 hypoxia‐inducible transcription factor, which contains an internal cavity that is sufficiently large to accommodate a range of small‐molecules, including the therapeutically used inhibitor belzutifan. Given the relatively long ligand residence times of these small molecules and the lack of any experimentally observed pathway connecting the cavity to solvent, there has been great interest in understanding how these drug ligands exit the buried receptor cavity. Here, we focus on the relevant PAS‐B domain of hypoxia‐inducible factor 2α (HIF‐2α) and examine how one such small molecule (THS‐017) exits from the buried cavity within this domain on the seconds‐timescale using atomistic simulations and ZZ‐exchange NMR. To enable the simulations, we applied the weighted ensemble path sampling strategy, which generates continuous pathways for a rare‐event process [e.g., ligand (un)binding] with rigorous kinetics in orders of magnitude less computing time compared to conventional simulations. Results reveal the formation of an encounter complex intermediate and two distinct classes of pathways for ligand exit. Based on these pathways, we identified two pairs of conformational gating residues in the receptor: one for the major class (N288 and S304) and another for the minor class (L272 and M309). ZZ‐exchange NMR validated the kinetic importance of N288 for ligand unbinding. Our results provide an ideal simulation dataset for rational manipulation of ligand unbinding kinetics.
Design, synthesis and antifungal activity of arylhydrazine analogs containing diphenyl ether fragments
Authors: Qiu Longjian , Liu Yaru , Zhang Lijuan , Hu Aixi , Ye Jiao , Yan Zhongzhong 
Published: October 2024

AbstractBACKGROUNDSuccinate dehydrogenase (SDH) represents a critical target in the development of novel fungicides. To address the growing issue of resistance and safeguard the economic viability of agricultural production, the pursuit of new succinate dehydrogenase inhibitors (SDHIs) has emerged as a significant focus of contemporary research.RESULTSIn this project, 32 arylhydrazine derivatives containing diphenyl ether structural units were synthesized and evaluated for their fungicidal activities against Rhizoctonia solani, Sclerotinia sclerotiorum, Alternaria alternata, Gibberella zeae, Alternaria solani and Colletotrichum gloeosporioides. In an in vitro fungicidal activity assay, compound D6 showed significant inhibitory activity against R. solani with a half‐maximum effective concentration (EC50) of 0.09 mg L−1. The in vivo fungicidal activity demonstrated that compound D6 inhibited R. solani by 95.39% in rice leaves, which was significantly better than that of boscalid (85.76%). The results of SDH enzyme assay, molecular docking simulation, mitochondrial membrane potential assay, cytoplasmic release studies and morphological observations demonstrated that the target compound D6 not only had significant SDH inhibitory activity, but also affected the membrane integrity of mycelium.CONCLUSIONBioactivity screening and validation of the mechanism of action indicated that compound D6 was a potentially unique SDHI, acting on SDH while also affecting cell membrane permeability, which deserved further study. © 2024 Society of Chemical Industry.