bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring the electronic structure of tetrathienylethene derivatives for OLED applications: A theoretical study
Authors: Dung Tran Ngoc , Van Trang Nguyen , Van Hue Nguyen , Chi Le Khac Phuong , Tung Dang Thanh , Chung Tran Thi Le , Dat Ta Quang , Hien Nguyen , Hue Nguyen Thi Minh 
Published: June 2024

AbstractThe B3LYP/6‐31G(d,p) method is applied to investigate the structural and electronic properties of tetrathienylethene (TTE) derivatives, specifically for the properties of 14 distinct TTE derivatives. The results indicate that the T1–T14 derivatives exhibit numerous advantages over the parent TTE compound. Notably, substituents predominantly impact the LUMO energy level of the TTE parent compound. Additionally, all modified molecules exhibit lower energy band gaps (Egap) and improved charge transfer capacity relative to TTE. These findings suggest that the T1–T14 derivatives may be promising candidates for use as materials in OLED applications. The values of chemical hardness (η) indicate that all compounds T1–T14 manifest greater softness relative to the parent compound TTE. This correlation aligns with the calculated Egap values, wherein compounds T1–T14 consistently exhibit smaller Egap values compared to the TTE compound. These research findings indicate that compounds T1 and T10 display remarkable and harmonious charge transfer capabilities. This is evident from their corresponding values of λh and λe, which stand at 0.39/0.41 and 0.41/0.41 eV, respectively. Remarkably, compound T1 exhibits the most pronounced absorption peak, occurring at a wavelength of 441 nm. This absorption is accompanied by the highest oscillator strength recorded for the compound, reaching a value of 0.638.
Schluss
Authors: Voß Julia , Meyer zu Altenschildesche Clara , Ettl Kerstin 
Published: June 2024

ZusammenfassungDieses Essential hebt die Bedeutung von Innovation, Diversität und Sichtbarkeit von Frauen in innovativen Bereichen hervor. Es illustriert gängige Stereotype und Geschlechterungleichheiten in Innovationsprozessen, die durch traditionelle Ansichten und strukturelle Barrieren erhalten und verstärkt werden. Durch die Auseinandersetzung mit den vorgestellten Geschichten von Innovatorinnen werden diese Vorstellungen herausgefordert, was zu einem Perspektivwechsel und persönlicher Reflexion anregen kann. Die Fallstudien verdeutlichen, dass die Beteiligung von Frauen an Innovationsprozessen essenziell ist, um das Innovationspotenzial der Wirtschaft auszuschöpfen. Die Sammlung bietet Einblicke in unterschiedliche Sektoren und Tätigkeitsfelder und eröffnet so neue Perspektiven auf Innovationsprozesse und das Innovationsmanagement.
Streamlined jet tagging network assisted by jet prong structure
Authors: Hammad A. , Nojiri Mihoko M. 
Published: June 2024

Abstract
Attention-based transformer models have become increasingly prevalent in collider analysis, offering enhanced performance for tasks such as jet tagging. However, they are computationally intensive and require substantial data for training. In this paper, we introduce a new jet classification network using an MLP mixer, where two subsequent MLP operations serve to transform particle and feature tokens over the jet constituents. The transformed particles are combined with subjet information using multi-head cross-attention so that the network is invariant under the permutation of the jet constituents. We utilize two clustering algorithms to identify subjets: the standard sequential recombination algorithms with fixed radius parameters and a new IRC-safe, density-based algorithm of dynamic radii based on HDBSCAN. The proposed network demonstrates comparable classification performance to state-of-the-art models while boosting computational efficiency drastically. Finally, we evaluate the network performance using various interpretable methods, including centred kernel alignment and attention maps, to highlight network efficacy in collider analysis tasks.
Essential positivity for Toeplitz operators on the Fock space
Authors: Fulsche Robert 
Published: June 2024

AbstractIn this short note, we discuss essential positivity of Toeplitz operators on the Fock space, as motivated by a recent question of Perälä and Virtanen (Proc. Amer. Math. Soc. 151:4807–4815, 2023). We give a proper characterization of essential positivity in terms of limit operators. A conjectured characterization of essential positivity of Perälä and Virtanen is disproven when the assumption of radiality is dropped. Nevertheless, when the symbol of the Toeplitz operator is of vanishing mean oscillation, we show that the conjecture of Perälä and Virtanen holds true, even without radiality.
The Fermionic Entanglement Entropy of the Vacuum State of a Schwarzschild Black Hole Horizon
Authors: Finster Felix , Lottner Magdalena 
Published: June 2024

Abstract
We define and analyze the fermionic entanglement entropy of a Schwarzschild black hole horizon for the regularized vacuum state of an observer at infinity. Using separation of variables and an integral representation of the Dirac propagator, the entanglement entropy is computed to be a prefactor times the number of occupied angular momentum modes on the event horizon.
Structural context of the Flatreef in the Northern Limb of the Bushveld Complex
Authors: Brits J. A. N. , Grobler D. F. , Crossingham A. , Blenkinsop T. G. , Maier W. D. 
Published: June 2024

Abstract
The Flatreef occurs at a depth of 700 m under the farm Turfspruit 241 KR in the Northern Limb of the Bushveld Complex. The Flatreef forms part of the Platreef of the Northern Limb, which contains magmatic rocks of the Rustenburg Layered Suite of the Bushveld Complex. The structure of the Flatreef is a flat-lying to gently westerly dipping monoclinal to open fold, 1 km wide and 6 km long. Distinctive features within the Flatreef include the development of cyclical magmatic layering with locally thickened pyroxenitic layers, and associated economically significant poly-metallic mineralisation. Geophysical evidence, exploration drill core, and recent underground exposure show that deformation had a major influence on the Flatreef mineralization. Block faulting and first generation folding affected the orientation and shape of the sedimentary host-rock sequence prior to intrusion of the Rustenburg Layered Suite. These structural and host-rock elements controlled the intrusion of the Lower Zone, and to a lesser degree, the Critical Zone correlatives of the Bushveld Complex in the Northern Limb. During intrusion reverse faults and shear zones and a second generation of folds were active, as well as local extension along layering. Syn-magmatic deformation on these structures led to laterally extensive stratal thickening across them, including the Merensky-Reef correlative that forms part of the Flatreef. This deformation was likely to have been driven by subsidence of the Bushveld complex. Many of these structures were intruded by granitic magmas during the late stages of intrusion, and they were reactivated during extension after intrusion. Thus, structures were active before, during and after the intrusion of Northern Limb, and the structural evolution determined the current geometry and mineral endowment of the Flatreef.
Magnetic resonance imaging T1 mapping of the liver, pancreas and spleen in children
Authors: Debnath Pradipta , Tkach Jean A. , Saad Michelle , Vitale David S. , Abu-El-Haija Maisam , Trout Andrew T. 
Published: June 2024

Abstract
Purpose
To characterize T1 relaxation times of the pancreas, liver, and spleen in children with and without abdominal pathology.

Methods
This retrospective study included pediatric patients (< 18-years-old). T1 mapping was performed with a Modified Look-Locker Inversion Recovery sequence. Patients were grouped based on review of imaging reports and electronic medical records. The Kruskal–Wallis test with Dunn’s multiple comparison was used to compare groups.

Results
220 participants were included (mean age: 11.4 ± 4.2 years (1.5 T); 10.9 ± 4.5 years (3 T)). Pancreas T1 (msec) was significantly different between subgroups at 1.5 T (p < 0.0001). Significant pairwise differences included: normal (median: 583; IQR: 561–654) vs. acute pancreatitis (731; 632–945; p = 0.0024), normal vs. chronic pancreatitis (700; 643–863; p = 0.0013), and normal vs. acute + chronic pancreatitis (1020; 897–1099; p < 0.0001). Pancreas T1 was also significantly different between subgroups at 3 T (p < 0.0001). Significant pairwise differences included: normal (779; 753–851) vs. acute pancreatitis (1087; 910–1259; p = 0.0012), and normal vs. acute + chronic pancreatitis (1226; 1025–1367; p < 0.0001).
Liver T1 was significantly different between subgroups only at 3 T (p = 0.0011) with pairwise differences between normal (818, 788–819) vs. steatotic (959; 848–997; p = 0.0017) and normal vs. other liver disease (882; 831–904; p = 0.0455). Liver T1 was weakly correlated with liver fat fraction at 1.5 T (r = 0.39; 0.24–0.52; p < 0.0001) and moderately correlated at 3 T (r = 0.64; 0.49–0.76; p < 0.0001).
There were no significant differences in splenic T1 relaxation times between subgroups.

Conclusion
Pancreas T1 relaxation times are higher at 1.5 T and 3 T in children with pancreatitis and liver T1 relaxation times are higher in children with steatotic and non-steatotic chronic liver disease at 3 T.
Evaluating the prognostic value of tumor deposits in non-metastatic lymph node-positive colon adenocarcinoma using Cox regression and machine learning
Authors: Zheng Zhen , Luo Hui , Deng Ke , Li Qun , Xu Quan , Liu Kaitai 
Published: June 2024

Abstract
Background
The 8th AJCC TNM staging for non-metastatic lymph node-positive colon adenocarcinoma patients(NMLP-CA) stages solely by lymph node status, irrespective of the positivity of tumor deposits (TD). This study uses machine learning and Cox regression to predict the prognostic value of tumor deposits in NMLP-CA.

Methods
Patient data from the SEER registry (2010–2019) was used to develop CSS nomograms based on prognostic factors identified via multivariate Cox regression. Model performance was evaluated by c-index, dynamic calibration, and Schmid score. Shapley additive explanations (SHAP) were used to explain the selected models.

Results
The study included 16,548 NMLP-CA patients, randomized 7:3 into training (n = 11,584) and test (n = 4964) sets. Multivariate Cox analysis identified TD, age, marital status, primary site, grade, pT stage, and pN stage as prognostic for cancer-specific survival (CSS). In the test set, the gradient boosting machine (GBM) model achieved the best C-index (0.733) for CSS prediction, while the Cox model and GAMBoost model optimized dynamic calibration(6.473) and Schmid score (0.285), respectively. TD ranked among the top 3 most important features in the models, with increasing predictive significance over time.

Conclusions
Positive tumor deposit status confers worse prognosis in NMLP-CA patients. Tumor deposits may confer higher TNM staging. Furthermore, TD could play a more significant role in the staging system.
The surgical learning curve for percutaneous Zadek osteotomy for treatment of insertional achilles tendinopathy
Authors: Hall SarahRose , Kaplan Jonathan R. M. , Phillips Tammy , Jackson J. Benjamin , Vulcano Ettore , Gonzalez Tyler A. 
Published: June 2024

Abstract
Introduction
The Zadek Osteotomy has been described as an effective technique for the treatment of insertional Achilles tendinopathy. Recently, this strategy has been modified using minimally invasive techniques. A learning curve has been observed in many minimally invasive procedures in foot and ankle surgery. This retrospective study first intended to evaluate if there is a learning curve associated with the percutaneous Zadek Osteotomy. Further, if a learning curve was observed, we planned to assess the data for associated changes in complications and postoperative outcomes.

Methods
A retrospective analysis of 98 patients who underwent percutaneous Zadek Osteotomy was performed. Patient charts were reviewed for operative times, complications, union rates, and Foot Function Index (FFI) and Visual Analogue Scale (VAS) scores. Analysis of variance was utilized to assess for differences between groups of cases.

Results
Patients included 61 females and 37 males. Mean age was 51.28 ± 11.12 (range 28–81) years. Mean follow-up time was 42.07 ± 12.99 (range 24–65) months. Significant increases in operative times were observed in cases 1–14 when compared to cases 15–98 (p < 0.001). Improvements in FFI and VAS scores were observed at final follow-up within each case group (p < 0.001); there were no differences detected in FFI or VAS scores between groups of cases. There was no difference detected in number of complications between intervals of cases.

Conclusion
A learning curve was observed for the percutaneous Zadek Osteotomy, which was overcome around case 14. This learning curve was only observed in terms of procedure length. A surgeon’s level of inexperience with the technique does not appear to affect functional outcomes, nonunion, or need for revision.

Level of evidence IV
Data will not be deposited in a repository.
Effect of adding telerehabilitation home program to pharmaceutical treatment on the symptoms and the quality of life in children with functional constipation: a randomized controlled trial
Authors: Soliman Amir , AboAli Safy Eldin M. , Abdel Karim Amel E. , Elsamahy Sara A. , Hasan Judy , Hassan Badr Al-Amir , Mohammed Amira H. 
Published: June 2024

AbstractPainful defecation, the passage of hard stools, unpleasant or irregular bowel deviation/movements from regular rate, and/or the feeling of not enough elimination of stool are common symptoms of functional constipation. The goals in treating constipation are to produce soft, painless stools and to prevent the re-accumulation of feces. This study looked at how the telerehabilitation home program (TRP) affected the symptoms of FC and the children who were constipated in terms of their quality of life. A randomized controlled trial included 400 children aging 4–18 years with functional constipation distributed in two groups: control group consisted of 200 children receiving pharmaceutical treatment and the intervention group consisted of 200 children receiving the telerehabilitation home program in addition to pharmaceutical treatment. Both groups received the interventions for 6 months. The outcomes in terms of functional constipation symptoms and quality of life are measured and compared pre- and post-interventions. Adding the telerehabilitation home program to pharmaceutical treatment of functional constipation in children results in prominent improvement in the condition; there is a significant difference between the intervention and control group in all Rome criteria which assess symptoms of functional constipation except rush to the bath-room to poop which showed non-significant difference; there is also a significant difference between the intervention and control group in all domains of the SF-36 questionnaire which assess quality of life except the mental health domain which showed non-significant difference.Conclusion: Adding the telerehabilitation home program to pharmaceutical treatment of functional constipation in children results in prominent improvement in symptoms of functional constipation and quality of life.Trial registration: Our study was registered retrospectively with Clinicaltrials.gov under the identifier NCT06207721 on 5 January 2024.

What Is Known:• Painful defecation, passage of hard stools, unpleasant or irregular bowel movements, feeling of incomplete stool elimination are common symptoms of functional constipation.• Goals in treating constipation include producing soft, painless stools and preventing re-accumulation of feces.What Is New:• Adding telerehabilitation home program to pharmaceutical treatment resulted in significant improvement in functional constipation symptoms and quality of life.• Significant differences between intervention group (200 children receiving telerehabilitation home program in addition to pharmaceutical treatment) and control group (200 children receiving pharmaceutical treatment) were observed in all Rome criteria except for rush to the bathroom to poop, and in all domains of SF36 questionnaire except for the mental health domain.
Avian haemosporidians of the genera Plasmodium and Haemoproteus from resident and Neotropical migrant birds in Colombia
Authors: Hernández-Ospina Maria Camila , Chitan-Guerrero Diego , Alvarez-Londoño Johnathan , Bohada-Murillo Mauricio , Martínez-Sánchez Estefani T. , Rivera-Páez Fredy A. , Castaño-Villa Gabriel J. 
Published: June 2024

AbstractAvian haemosporidians of the genera Plasmodium and Haemoproteus are a group of widely distributed blood parasites that can negatively affect the fitness of their hosts. Colombia contains the greatest diversity of birds on the planet, but knowledge about the associations between haemosporidian and its avifauna is scarce and fragmented. We collected blood samples from 255 birds (203 residents and 52 neotropical migrants) belonging to 27 families and 108 species. The study was conducted in six localities in the inter-Andean valleys of the Cauca and Magdalena rivers. Parasites of the genera Plasmodium and Haemoproteus were identified in the samples by morphological and molecular analysis of a fragment of the mitochondrial gene cyt b. Among the samples, 9.3% (n = 24) were positive for Plasmodium or Haemoproteus. Co-infection with Plasmodium and Haemoproteus was found in Red-eyed Vireo﻿. Seventeen haemosporidian lineages were identified, five of which were reported for the first time in resident birds (Common Ground Dove, Checker-throated Stipplethroat, Tropical Kingbird, Pale-breasted Thrush, and Ruddy-breasted Seedeater) and one in the Summer Tanager (neotropical migrant). The research results confirm the wide diversity of haemosporidian present in tropical lowlands and the possible role of neotropical migratory birds in dissemination on haemosporidian along their migratory routes.
Geometry smoothing and local enrichment of the finite cell method with application to cemented granular materials
Authors: Gorji Mahan , Komodromos Michail , Garhuom Wadhah , Grabe Jürgen , Düster Alexander 
Published: June 2024

AbstractIn recent times, immersed methods such as the finite cell method have been increasingly employed in structural mechanics to address complex-shaped problems. However, when dealing with heterogeneous microstructures, the FCM faces several challenges. Weak discontinuities occur at the interfaces between the different materials, resulting in kinks in the displacements and jumps in the strain and stress fields. Furthermore, the morphology of such composites is often described by 3D images, such as ones derived from X-ray computed tomography. These images lead to a non-smooth geometry description and thus, singularities in the stresses arise. In order to overcome these problems, several strategies are presented in this work. To capture the weak discontinuities at the material interfaces, the FCM is combined with local enrichment. Moreover, the L$$^2$$

2

-projection is extended and applied to heterogeneous microstructures, transforming the 3D images into smooth level-set functions. All of the proposed approaches are applied to numerical examples. Finally, an application of cemented granular material is investigated using three versions of the FCM and is verified against the finite element method. The results show that the proposed methods are suitable for simulating heterogeneous materials starting from CT scans.
Use of peripherally inserted central venous catheters and midline catheters for palliative care in patients with cancer: a systematic review
Authors: Gravdahl Eva , Haugen Dagny Faksvåg , Fredheim Olav Magnus 
Published: June 2024

Abstract
Background
Peripherally inserted central catheters (PICCs) and midline catheters (MCs) may offer convenient intravenous access, but evidence to support their place in palliative care is limited. This review aimed to assess catheter indications, utilization, complications, dwell time, and patient experiences in cancer patients receiving palliative care.

Methods
A systematic search for studies on catheter utilization for supportive or symptom treatment was conducted in Medline, Embase, CINAHL, Web of Science, Cochrane, and CENTRAL databases. Studies with a study population or a subgroup of palliative care cancer patients were included. Study quality was assessed using the Effective Public Health Practice Quality assessment tool.

Results
Of 7631 unique titles, 17 articles were examined in detail, all published between 2002 and 2022. Median catheter dwell time varied from 15 to 194 days, the longest when utilized for home parenteral nutrition. For pain and symptom management, the typical duration was 2–4 weeks, often until the patient’s death. Complication rates were minimal, with thrombosis, infections, and occlusion ranging from 0 to 2.46 incidents per 1000 catheter days. In studies from palliative care services, patients reported minimal distress during procedures and high user satisfaction. Quality of life assessments post-procedure improved, possibly influenced by concurrent specialist palliative care provision. All studies were assessed to be of moderate or weak quality.

Conclusion
PICC and MC are safe and valuable tools in palliative care cancer patients who would benefit from intravenous access for symptom management. Further studies are needed to clarify indications for PICC or MC in palliative care.
Assessment of Anisotropic Elastic Parameters Using Laboratory Triaxial and In-Situ Pressuremeter Tests in Opalinus Clay
Authors: Liu Lang , Martin Derek , Giger Silvio B. , Chalaturnyk Rick 
Published: June 2024

AbstractOpalinus Clay is a stratified shale that exhibits anisotropic deformation properties. In this work, the transversely isotropic deformation parameters of Opalinus Clay are summarized from recent undrained triaxial test campaigns. Relatively consistent values are found for Poisson’s ratios representing different orientations, regardless of the lithofacies and the effective confining stresses used in the tests. Pressuremeter tests were performed at the Mont Terri Rock Laboratory in two boreholes perpendicular and parallel to bedding, respectively. The elastic moduli normal to the borehole wall (borehole moduli) are determined using unloading data obtained at multiple diametric caliper axes and exhibit strong anisotropy for the tests in the borehole parallel to bedding. The anisotropic borehole moduli are predicted based on Amadei and Savage’s (Int J Rock Mech Min Sci 28:383–396, 1991. https://doi.org/10.1016/0148-9062(91)90077-Y) analytical solution using the laboratory-derived Poisson’s ratios and the shear modulus derived from pressuremeter tests in the borehole perpendicular to bedding. The prediction overestimates the magnitude of the borehole moduli but underestimates their anisotropic ratio compared to that from pressuremeter measurement. Drilling a borehole parallel to the bedding of Opalinus Clay is known to induce a local borehole damage zone preferentially developed normal to bedding. The results from a finite element analysis that incorporates this local damage are in better agreement with the pressuremeter measurement.