bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomistic insights into adhesion characteristics of tungsten on titanium nitride using steered molecular dynamics with machine learning interatomic potential
Authors: Cho Eunseog , Son Won-Joon , Cho Eunae , Jang Inkook , Kim Dae Sin , Min Kyoungmin 
Published: October 2023

AbstractAs transistor integration accelerates and miniaturization progresses, improving the interfacial adhesion characteristics of complex metal interconnect has become a major issue in ensuring semiconductor device reliability. Therefore, it is becoming increasingly important to interpret the adhesive properties of metal interconnects at the atomic level, predict their adhesive strength and failure mode, and develop computational methods that can be universally applied regardless of interface properties. In this study, we propose a method for theoretically understanding adhesion characteristics through steering molecular dynamics simulations based on machine learning interatomic potentials. We utilized this method to investigate the adhesion characteristics of tungsten deposited on titanium nitride barrier metal (W/TiN) as a representative metal interconnect structure in devices. Pulling tests that pull two materials apart and sliding tests that pull them against each other in a shear direction were implemented to investigate the failure mode and adhesive strength depending on TiN facet orientation. We found that the W/TiN interface showed an adhesive failure where they separate from each other when tested with pulling force on Ti-rich (111) or (001) facets while cohesive failures occurred where W itself was destroyed on N-rich (111) facet. The adhesion strength was defined as the maximum force causing failure during the pulling test for consistent interpretation and the strengths of tungsten were predicted to be strongest when deposited onto N-rich (111) facet while weakest on Ti-rich (111) facet.
Children with Duchenne muscular dystrophy display specific kinematic strategies during obstacle-crossing
Authors: Wu Kuan-Wen , Yu Cheng-Hao , Huang Tse-Hua , Lu Shiuan-Huei , Tsai Yu-Lin , Wang Ting-Ming , Lu Tung-Wu 
Published: October 2023

AbstractDuchenne muscular dystrophy (DMD) is a genetic disease characterized by progressive muscle weakness with increased neuromechanical challenge and fall risks, especially during obstructed locomotion. This study aimed to identify the kinematic strategies for obstacle-crossing in DMD via synthesizing the changes in the joint kinematics and associated end-point control. Fourteen boys with DMD (age: 9.0 ± 2.5 years) and fourteen typically developed controls (age: 9.0 ± 2.8 years) each crossed obstacles of three different heights (10%, 20% and 30% of leg length) while the angular motions of the trunk-pelvis-leg apparatus and foot-obstacle clearances were measured. Two-way analyses of variance were used to analyze group and obstacle height effects. Compared to the controls, the DMD group crossed obstacles with significantly increased step width, but decreased crossing speed, crossing step length, trailing toe-obstacle clearance and leading heel-obstacle horizontal distance (p < 0.05). When the leading toe was above the obstacle, the patients showed significantly increased pelvic hiking, pelvic and trunk anterior tilt and ankle plantarflexion, but decreased hip flexion in both limbs (p < 0.05). Similar kinematic changes were found during trailing-limb crossing, except for an additional increase in swing-hip abduction and decrease in contralateral trunk side-bending and stance-knee flexion. Patients with DMD crossed obstacles via a specific kinematic strategy with altered end-point control, predisposing them to a greater risk of tripping during trailing-limb crossing. These results suggest that crossing kinematics in DMD should be monitored—especially in the proximal segments of the pelvis-leg apparatus—that may lead to an increased risk of falling.
The degradation during recycling of polyamide 6 produced by anionic ring-opening polymerization of ε-caprolactam
Authors: Semperger Orsolya Viktória , Suplicz András 
Published: October 2023

AbstractAs the plastics industry continues to grow, the amount of plastic waste is also increasing. The European Union is controlling plastic waste through various regulations, focusing primarily on recyclability. A good alternative to traditional thermoset composites is thermoplastic polyamide 6 composites produced by Thermoplastic Resin Transfer Molding (T-RTM). Polyamide 6 has high strength and is produced by in-situ anionic ring-opening polymerization in T-RTM. Products made with this technology can replace traditional thermoset composites in many areas, which greatly increases recyclability. In this paper, the recyclability of the high molecular weight polyamide 6 matrix material of T-RTM composites is investigated. Products were mechanically recycled and then processed by injection molding. Thermal, mechanical and rheological properties of the samples were compared with the properties of the original product, as well as a general injection molding–grade PA6. Results show that the parts prepared with this innovative technology can be mechanically recycled and reprocessed by injection molding without a processing aid. After reprocessing, a significant reduction in properties is observed due to degradation, but the properties of the resulting product are in good agreement with those of a conventional commercially available injection molding grade PA6 material.
Uncovering the environmental conditions required for Phyllachora maydis infection and tar spot development on corn in the United States for use as predictive models for future epidemics
Authors: Webster Richard W. , Nicolli Camila , Allen Tom W. , Bish Mandy D. , Bissonnette Kaitlyn , Check Jill C. , Chilvers Martin I. , Duffeck Maíra R. , Kleczewski Nathan , Luis Jane Marian , Mueller Brian D. , Paul Pierce A. , Price Paul P. , Robertson Alison E. , Ross Tiffanna J. , Schmidt Clarice , Schmidt Roger , Schmidt Teryl , Shim Sujoung , Telenko Darcy E. P. , Wise Kiersten , Smith Damon L. 
Published: October 2023

AbstractPhyllachora maydisis a fungal pathogen causing tar spot of corn (Zea maysL.), a new and emerging, yield-limiting disease in the United States. Since being first reported in Illinois and Indiana in 2015,P. maydiscan now be found across much of the corn growing regions of the United States. Knowledge of the epidemiology ofP. maydisis limited but could be useful in developing tar spot prediction tools. The research presented here aims to elucidate the environmental conditions necessary for the development of tar spot in the field and the creation of predictive models to anticipate future tar spot epidemics. Extended periods (30-day windowpanes) of moderate mean ambient temperature (18–23 °C) were most significant for explaining the development of tar spot. Shorter periods (14- to 21-day windowpanes) of moisture (relative humidity, dew point, number of hours with predicted leaf wetness) were negatively correlated with tar spot development. These weather variables were used to develop multiple logistic regression models, an ensembled model, and two machine learning models for the prediction of tar spot development. This work has improved the understanding ofP. maydisepidemiology and provided the foundation for the development of a predictive tool for anticipating future tar spot epidemics.
Mixed infections in genotypic drug-resistant Mycobacterium tuberculosis
Authors: Wang Linfeng , Campino Susana , Phelan Jody , Clark Taane G. 
Published: October 2023

AbstractTuberculosis disease (TB), caused by Mycobacterium tuberculosis, is a major global public health problem, resulting in more than 1 million deaths each year. Drug resistance (DR), including multi-drug (MDR-TB), is making TB control difficult and accounts for 16% of new and 48% of previously treated cases. To further complicate treatment decision-making, many clinical studies have reported patients harbouring multiple distinct strains of M. tuberculosis across the main lineages (L1 to L4). The extent to which drug-resistant strains can be deconvoluted within mixed strain infection samples is understudied. Here, we analysed M. tuberculosis isolates with whole genome sequencing data (n = 50,723), which covered the main lineages (L1 9.1%, L2 27.6%, L3 11.8%, L4 48.3%), with genotypic resistance to isoniazid (HR-TB; n = 9546 (29.2%)), rifampicin (RR-TB; n = 7974 (24.4%)), and at least MDR-TB (n = 5385 (16.5%)). TB-Profiler software revealed 531 (1.0%) isolates with potential mixed sub-lineage infections, including some with DR mutations (RR-TB 21/531; HR-TB 59/531; at least MDR-TB 173/531). To assist with the deconvolution of such mixtures, we adopted and evaluated a statistical Gaussian Mixture model (GMM) approach. By simulating 240 artificial mixtures of different ratios from empirical data across L1 to L4, a GMM approach was able to accurately estimate the DR profile of each lineage, with a low error rate for the estimated mixing proportions (mean squared error 0.012) and high accuracy for the DR predictions (93.5%). Application of the GMM model to the clinical mixtures (n = 531), found that 33.3% (188/531) of samples consisted of DR and sensitive lineages, 20.2% (114/531) consisted of lineages with only DR mutations, and 40.6% (229/531) consisted of lineages with genotypic pan-susceptibility. Overall, our work demonstrates the utility of combined whole genome sequencing data and GMM statistical analysis approaches for providing insights into mono and mixed M. tuberculosis infections, thereby potentially assisting diagnosis, treatment decision-making, drug resistance and transmission mapping for infection control.
Integrated single-cell and spatial transcriptomics reveals heterogeneity of fibroblast and pivotal genes in psoriasis
Authors: He Cong-cong , Song Tian-cong , Qi Rui-qun , Gao Xing-Hua 
Published: October 2023

AbstractPsoriasis, which is one of the most common skin diseases, involves an array of complex immune constituents including T cells, dendritic cells and monocytes. Particularly, the cytokine IL17A, primarily generated by TH17 cells, assumes a crucial function in the etiology of psoriasis. In this study, a comprehensive investigation utilizing bulk RNA analysis, single-cell RNA sequencing, and spatial transcriptomics was employed to elucidate the underlying mechanisms of psoriasis. Our study revealed that there is an overlap between the genes that are differentially expressed in psoriasis patients receiving three anti-IL17A monoclonal antibody drugs and the genes that are differentially expressed in lesion versus non-lesion samples in these patients. Further analysis using single-cell and spatial data from psoriasis samples confirmed the expression of hub genes that had low expressions in psoriasis tissue but were up-regulated after anti-IL17A treatments. These genes were found to be associated with the treatment effects of brodalumab and methotrexate, but not adalimumab, etanercept, and ustekinumab. Additionally, these genes were predominantly expressed in fibroblasts. In our study, fibroblasts were categorized into five clusters. Notably, hub genes exhibited predominant expression in cluster 3 fibroblasts, which were primarily engaged in the regulation of the extracellular matrix and were predominantly located in the reticular dermis. Subsequent analysis unveiled that cluster 3 fibroblasts also established communication with epithelial cells and monocytes via the ANGPTL-SDC4 ligand-receptor configuration, and their regulation was governed by the transcription factor TWIST1. Conversely, cluster 4 fibroblasts, responsible for vascular endothelial regulation, were predominantly distributed in the papillary dermis. Cluster 4 predominantly engaged in interactions with endothelial cells via MDK signals and was governed by the distinctive transcription factor, ERG. By means of an integrated analysis encompassing bulk transcriptomics, single-cell RNA sequencing, and spatial transcriptomics, we have discerned genes and clusters of fibroblasts that potentially contribute to the pathogenesis of psoriasis.
CD73 deficiency does not aggravate angiotensin II-induced aortic inflammation in mice
Authors: Massold Timo , Ibrahim Fady , Niemann Viola , Steckel Bodo , Becker Katrin , Schrader Jürgen , Stegbauer Johannes , Temme Sebastian , Grandoch Maria , Flögel Ulrich , Bouvain Pascal 
Published: October 2023

AbstractVascular inflammation plays a key role in the development of aortic diseases. A potential novel target for treatment might be CD73, an ecto-5′-nucleotidase that generates anti-inflammatory adenosine in the extracellular space. Here, we investigated whether a lack of CD73 results in enhanced aortic inflammation. To this end, angiotensin II was infused into wildtype and CD73−/− mice over 10 days. Before and after infusion, mice were analyzed using magnetic resonance imaging, ultrasound, flow cytometry, and histology. The impact of age and gender was investigated using female and male mice of three and six months of age, respectively. Angiotensin II infusion led to increased immune cell infiltration in both genotypes’ aortae, but depletion of CD73 had no impact on immune cell recruitment. These findings were not modified by age or sex. No substantial difference in morphological or functional characteristics could be detected between wildtype and CD73−/− mice. Interestingly, the expression of CD73 on neutrophils decreased significantly in wildtype mice during treatment. In summary, we have found no evidence that CD73 deficiency affects the onset of aortic inflammation. However, as CD73 expression decreased during disease induction, an increase in CD73 by pharmaceutical intervention might result in lower vascular inflammation and less vascular disease.
A retinal imaging system for combined measurement of optic nerve head vascular pulsation and stimulated vasodilation in humans
Authors: Felder Anthony E. , Rahimi Mansour , Nankali Amir , Matei Nathanael , Abdolahi Farzan , Blair Norman P. , Shahidi Mahnaz 
Published: October 2023

AbstractVascular pulsation at the optic nerve head (ONH) reflects vessel properties. Reduction in the stimulated retinal vasodilatory capacity has been reported in diabetes, but its relation with vascular pulsation is unknown. Here we report a new retinal imaging system for correlative assessment of ONH vascular pulsation and stimulated retinal vasodilation. Retinal reflectance images were acquired before and during light flicker stimulation to quantify arterial and venous vasodilation (DAR, DVR) in subjects with and without diabetic retinopathy (N = 25). ONH vascular pulsation amplitude and frequency (PA, PF), were quantified by curve fitting of periodic intensity waveforms acquired in retinal vasculature (RV) and ONH tissue (ONHT) regions. The relationships between pulsation metrics, heart rate (HR), intraocular pressure (IOP), and vasodilatory responses were evaluated. Pulsation metrics were not significantly different between regions (p ≥ 0.70). In RV, inter-image variabilities of PA and PF were 10% and 6%, whereas inter-observer variabilities were 7% and 2% respectively. In both regions, PF was correlated with HR (p ≤ 0.001). PA was associated with DAR in both regions (p ≤ 0.03), but only with DVR in RV (p ≤ 0.05). Overall, ONH vascular pulsation was associated with stimulated retinal vasodilation, suggesting diabetes may have concomitant effects on retinal vasculature compliance and neurovascular coupling.
Estimation and update of betweenness centrality with progressive algorithm and shortest paths approximation
Authors: Xiang Nan , Wang Qilin , You Mingwei 
Published: October 2023

AbstractBetweenness centrality is one of the key measures of the node importance in a network. However, it is computationally intractable to calculate the exact betweenness centrality of nodes in large-scale networks. To solve this problem, we present an efficient CBCA (Centroids based Betweenness Centrality Approximation) algorithm based on progressive sampling and shortest paths approximation. Our algorithm firstly approximates the shortest paths by generating the network centroids according to the adjacency information entropy of the nodes; then constructs an efficient error estimator using the Monte Carlo Empirical Rademacher averages to determine the sample size which can achieve a balance with accuracy; finally, we present a novel centroid updating strategy based on network density and clustering coefficient, which can effectively reduce the computation burden of updating shortest paths in dynamic networks. The experimental results show that our CBCA algorithm can efficiently output high-quality approximations of the betweenness centrality of a node in large-scale complex networks.
Catheter-associated Mycobacterium intracellulare biofilm infection in C3HeB/FeJ mice
Authors: Yamamoto Kentaro , Tsujimura Yusuke , Ato Manabu 
Published: October 2023

AbstractNon-tuberculosis mycobacterial (NTM) diseases are steadily increasing in prevalence and mortality worldwide. Mycobacterium avium and M. intracellulare, the two major pathogens of NTM diseases, are resistant to antibiotics, and chlorine, necessitating their capacity to survive in natural environments (e.g. soil and rivers) and disinfected municipal water. They can also form biofilms on artificial surfaces to provide a protective barrier and habitat for bacilli, which can cause refractory systemic disseminated NTM disease. Therefore, preventing biofilm formation by these pathogens is crucial; however, not many in vivo experimental systems and studies on NTM biofilm infection are available. This study develops a mouse model of catheter-associated systemic disseminated disease caused by M. intracellulare that reproduces the pathophysiology of catheter-associated infections observed in patients undergoing peritoneal dialysis. In addition, the bioluminescence system enabled noninvasive visualization of the amount and distribution of bacilli in vivo and conveniently examine the efficacy of antimicrobials. Furthermore, the cellulose-based biofilms, which were extensively formed in the tissue surrounding the catheter insertion site, reduced drug therapy effectiveness. Overall, this study provides insights into the cause of the drug resistance of NTM and may guide the development of new therapies for NTM diseases.
The histone acetyl transferases CBP and p300 regulate stress response pathways in synovial fibroblasts at transcriptional and functional levels
Authors: Krošel Monika , Gabathuler Marcel , Moser Larissa , Maciukiewicz Malgorzata , Züllig Thomas , Seifritz Tanja , Tomšič Matija , Distler Oliver , Ospelt Caroline , Klein Kerstin 
Published: October 2023

AbstractThe activation of stress response pathways in synovial fibroblasts (SF) is a hallmark of rheumatoid arthritis (RA). CBP and p300 are two highly homologous histone acetyl transferases and writers of activating histone 3 lysine 27 acetylation (H3K27ac) marks. Furthermore, they serve as co-factors for transcription factors and acetylate many non-histone proteins. Here we showed that p300 but not CBP protein expression was down regulated by TNF and 4-hydroxynonenal, two factors that mimic inflammation and oxidative stress in the synovial microenvironment. We used existing RNA-sequencing data sets as a basis for a further in-depth investigation of individual functions of CBP and p300 in regulating different stress response pathways in SF. Pathway enrichment analysis pointed to a profound role of CBP and/ or p300 in regulating stress response-related gene expression, with an enrichment of pathways associated with oxidative stress, hypoxia, autophagy and proteasome function. We silenced CBP or p300, and performed confirmatory experiments on transcriptome, protein and functional levels. We have identified some overlap of CBP and p300 target genes in the oxidative stress response pathway, however, with several genes being regulated in opposite directions. The majority of stress response genes was regulated by p300, with a specific function of p300 in regulating hypoxia response genes and genes encoding proteasome subunits. Silencing of p300 suppressed proteasome enzymatic activities. CBP and p300 regulated autophagy on transcriptome and functional levels. Whereas CBP was indispensable for autophagy synthesis, silencing of p300 affected late-stage autophagy. In line with impaired autophagy and proteasome function, poly-ubiquitinated proteins accumulated after silencing of p300.
Induction of larval settlement in crown-of-thorns starfish is not mediated by conspecific cues
Authors: Doll Peter C. , Uthicke Sven , Caballes Ciemon F. , Patel Frances , Gomez Cabrera Maria del C. , Lang Bethan J. , Pratchett Morgan S. 
Published: October 2023

AbstractPopulation irruptions of crown-of-thorns starfish (COTS; Acanthaster spp.) remain a major cause of coral reef degradation throughout the Pacific and Indian Oceans and are inherently modulated by larval settlement and recruitment success. Gregarious larval settlement, as exhibited by many other ecologically important marine invertebrates, can catalyse population growth and replenishment. However, whether conspecific cues induce or influence the settlement of COTS larvae remains a critical information gap. This experimental study examined the induction of COTS settlement in response to a range of conspecific cues associated with early- and late-stage herbivorous juveniles, corallivorous juveniles and adults. Competent COTS larvae were generally not induced to settle by the presence of conspecifics or cues associated with conspecifics, while the settlement success of COTS in the presence of coralline algae was not inhibited or enhanced by adding conspecific conditioned seawater. Rather than being reinforced by gregarious settlement, the recruitment of COTS populations appears dependent on associative settlement cues (i.e., coralline algae and/or associated microbial communities) signalling suitable benthic habitat.
Miniscrews position for a tissue bone borne palatal C-expander affects the displacement pattern of nasomaxillary complex: a finite element study
Authors: Choi Jin-Young , Choo HyeRan , Kim Min-Jung , Chung Kyu-Rhim , Kim Seong-Hun 
Published: October 2023

AbstractThis study aimed to evaluate the difference in expansion patterns based on the position of miniscrews for a tissue-bone-borne palatal C-expander using a finite element method. Ten expansion models were examined, each representing a different position of miniscrews on the palate. Models A and B had miniscrews symmetrically placed 7 mm and 15 mm below the cementoenamel junction (CEJ), respectively. Models C to J had miniscrews positioned in a triangular manner at 7 mm and 15 mm below CEJ. Stress, displacement, angular changes of the bone and teeth, and changes in the nasomaxillary complex were measured using elastoplastic behavior models through static-nonlinear simulation employing an implicit method. The anterior and posterior parts of paramidpalatal suture area were identified as ANT, TPS-M, and TPS-L, and their ratio was assessed. Model A, which featured three miniscrews located 7 mm below the CEJ, exhibited the least molar inclination and the smallest amount of skeletal expansion. Model I, with two miniscrews placed between the first and second molars, demonstrated the greatest lateral displacement at point N on the nasal cavity wall, along with the smallest ratio of ANT to TPS-M or TPS-L. This finding suggests that the posterior expansion of the palate in relation to the anterior expansion was maximized. The results of this study indicate that strategic positioning of miniscrews is effective in achieving various expansion patterns based on the targeted correction areas within the nasomaxillary complex.