bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multifunctional sulfur doping in cobalt-based materials for high-energy density supercapacitors
Authors: Huang Li , Wang Pengkun , Yang Hechuan , Wang Yan , Cai Wangfeng 
Published: March 2024

Abstract
In this study, S-CCO@Co(OH)2 (‘CCO’ representing CuCo2O4/Cu2O; ‘S-’representing sulfur doping) was synthesized by hydrothermal method followed by electrodeposition. The multiple effects of S doping were studied by S doping and constructing 3D core–shell structure. S doping induced the reduction of Cu2+ and Co3+ to Cu+ and Co2+, respectively. Also, S partially replaces O and creates oxygen vacancies, which increases a number of active sites for the redox reaction enhancing the redox reaction activity. After the electrodeposition, S–Co bond is formed between the Co(OH)2 shell and the S-CCO core, which suggests a synergistic effect between S doping and core–shell structure. The formation of S–Co bond is conducive to electron and ion transport, thus improving electrochemical performance. After modification, the specific capacitance of S-CCO@Co(OH)2 is 4.28 times higher than CCO, up to 1730 Fg−1. Furthermore, the assembled S-CCO@Co(OH)2//activated carbon supercapacitor exhibits an energy density of 83.89 Whkg−1 at 848.81 Wkg−1 and a retention rate of 98.48% after 5000 charge and discharge cycles. Therefore, S doping and its mutual effect with the utilization of the core–shell structure considerably enhanced the electrochemical performance of the CCO-based electrodes, endowing its potential in further application.
In situ tumor model for longitudinal in silico imaging trials
Authors: Sengupta Aunnasha , Lago Miguel A , Badano Aldo 
Published: March 2024

Abstract

Objective. In this article, we introduce a computational model for simulating the growth of breast cancer lesions accounting for the stiffness of surrounding anatomical structures. Approach. In our model, ligaments are classified as the most rigid structures while the softer parts of the breast are occupied by fat and glandular tissues As a result of these variations in tissue elasticity, the rapidly proliferating tumor cells are met with differential resistance. It is found that these cells are likely to circumvent stiffer terrains such as ligaments, instead electing to proliferate preferentially within the more yielding confines of the breast’s soft topography. By manipulating the interstitial tumor pressure in direct proportion to the elastic constants of the tissues surrounding the tumor, this model thus creates the potential for realizing a database of unique lesion morphology sculpted by the distinctive topography of each local anatomical infrastructure. We modeled the growth of simulated lesions within volumes extracted from fatty breast models, developed by Graff et al with a resolution of 50 μm generated with the open-source and readily available Virtual Imaging Clinical Trials for Regulatory Evaluation (VICTRE) imaging pipeline. To visualize and validate the realism of the lesion models, we leveraged the imaging component of the VICTRE pipeline, which replicates the siemens mammomat inspiration mammography system in a digital format. This system was instrumental in generating digital mammogram (DM) images for each breast model containing the simulated lesions. Results. By utilizing the DM images, we were able to effectively illustrate the imaging characteristics of the lesions as they integrated with the anatomical backgrounds. Our research also involved a reader study that compared 25 simulated DM regions of interest (ROIs) with inserted lesions from our models with DM ROIs from the DDSM dataset containing real manifestations of breast cancer. In general the simulation time for the lesions was approximately 2.5 hours, but it varied depending on the lesion’s local environment. Significance. The lesion growth model will facilitate and enhance longitudinal in silico trials investigating the progression of breast cancer.
Structural, electronic, magnetic, and optical properties of RE2ZrZnO6 (RE= La, Dy and Ho) double perovskites: experimental and DFT studies
Authors: Irfan M , Murtaza G , Alhummiany Haya , Al-Anazy Murefah mana , Alshomrany Ali S , Mahmood Q , Yousef El Sayed 
Published: March 2024

Abstract
In the present work, density functional theory (DFT) and experimental methods are used to examine the structural, electronic, optical, and magnetic characteristics of the RE2ZrZnO6 (RE = La, Dy, and Ho) double perovskites. The synthesis of these double perovskites oxides is done using the solid-state method. The orthorhombic structures are confirmed by XRD analysis. The EDS mapping shows the presence of La, Dy, Ho, Zr, Zn, and O with their required compositions, SEM images demonstrate the formation of well-shaped particles. On the theoretical side, Full potential linearized augmented plane wave (FP-LAPW) method is employed in the framework WIEN2k code. The half metallic nature of the studied compounds was revealed by spin polarized band structures and density of states. It was found that optical conductivity increases as photon energy increases up to a certain point, beyond the limit it begins to decrease. The comprehensive analysis reveals the studied compounds are potential materials for spintronic applications.
Effect of Pr3+ concentration in luminescence properties & upconversion mechanism of triple doped NaYF4: Yb3+, Er3+, Pr3+
Authors: Shahsavar Gocmen Mahla , Dulda Ayse 
Published: March 2024

Abstract
Lanthanide-doped fluoride nanocrystals (NCs) exhibit excellent optical features, including upconversion and downconversion luminescence (UCL and DCL), that can be utilized in a variety of applications. In this study, we have successfully demonstrated the photoluminescence behavior of triple-doped NaYF4: Yb3+, Er3+, Pr3+ NCs in the Vis-NIR region. Herein, highly monodisperse hexagonal phase NaYF4: Yb0.2, Er0.02, Prx nanocrystals in various Pr3+ (x = 0, 0.1, 0.5, and 1 mol %) concentration with ∼22 nm diameter synthesized by thermal decomposition technique. The photoluminescence studies for all samples were performed under 980 nm laser excitation. The luminescence intensity of Er3+ including blue (407 nm), green (520 and 540 nm), red (654 nm), and near-infrared (845 nm and 1530 nm) emissions was significantly quenched and Pr3+ emission intensity at 1290 nm (Pr3+:1G4→3H5) changes irregularly upon doping with Pr3+ ions. Furthermore, we performed the excitation power dependence and decay time analysis to investigate the energy transfer and upconversion mechanisms of samples. These findings indicate that the presence of praseodymium strongly reduces emission intensities due to abundant cross-relaxation channels. In addition, particle size is an efficient factor, shedding light on the influence of Pr3+ on the energy transfer and upconversion mechanisms of the fluorides.
Analysis of the thermal properties in short sansevieria cylindrica fibre/PLA composites processed by twin screw extruder followed by hot press molding technique
Authors: Krishnasamy Senthilkumar , Ungtrakul Thitinun , Chandrasekar M , Senthil Muthu Kumar T , Parameswaranpillai Jyotishkumar , Mohit H , Aravind D , Rajini N , Siengchin Suchart , Natarajan Varagunapandiyan 
Published: March 2024

Abstract
Short Sansevieria cylindrica fibre/polylactic acid composites (SCFP) were fabricated using a twin screw extruder followed by the hot press technique, with variations in fibre loadings of 10 wt%, 20 wt%, 30 wt% and 40 wt%. The thermal properties of SCFP were assessed through dynamic mechanical analysis (DMA), thermomechanical analysis (TMA), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Notably, the samples loaded with 40 wt% of fibre exhibited an increased storage modulus. In terms of loss modulus, the fibre-loaded samples displayed high values, indicating more heat is released during DMA experiment. Interestingly, the composite trend did not solely rely on increasing fibre loading, highlighting the intricate interplay between reinforcement and matrix crucial for determining viscoelastic properties across various temperatures. The TGA results revealed a decrease in inflection temperature with increasing fibre loadings, accompanied by a proportional rise in residues. The DSC thermograms indicated minimal differences in Tg, Tcc, and Tm values among composites with varying fibre loadings. However, neat PLA showed slightly higher values than the composites. On the other hand, reinforcing SCF into the PLA matrix promoted the crystallization of PLA by 1%–3% with the maximum degree of crystallinity of 25.4% obtained for 30 wt% of SCFP.
Prediction of ductile cracking in the titanium alloy forging process
Authors: Fan Yuan , Zhang Haicheng , Yuan Wuhua 
Published: March 2024

Abstract
The control of surface cracking in the forming of titanium alloy forgings is a significant problem in the forging industry. For titanium alloys, the formation of surface cracks is related to temperature, strain rate, and stress state. This study selected the widely used medium to high strength titanium alloy Ti-6Al-4V in the field of forging as the research material, and designed six different shapes of specimens for high-temperature tensile and compression tests. The mechanisms underlying crack formation were analyzed at the microscopic level, and the critical fracture displacement of these tests was extracted. Moreover, their critical fracture strains were obtained through simulations, and a High-temperature damage model was established based on the DF2016 model. The research results showed that cracks through void at grain boundaries propagate and aggregate to form, leading to a fracture mechanism characterized by ductile fracture through micro-pore aggregation. Simulation results demonstrate that the established model accurately predicts the crack of forgings.
Effect of temperature modulation on the performance of top contact bottom gate organic thin film transistor
Authors: Rathod Arun Pratap Singh , Dubey V P , Gowri R , Juneja P K 
Published: March 2024

Abstract
This research article investigates the influence of temperature variations on the performance parameters of Top Contact Bottom Gate (TCBG) Organic Thin Film Transistors (OTFTs). Employing the Arrhenius equation and Schottky emission model, the study explores temperature-dependent charge carrier mobility and injection mechanisms. Analyzing a wide range of parameters, the research unveils a complex interplay between temperature and OTFT behavior. The linear and saturation mobilities exhibit a decline due to enhanced carrier-phonon interactions and lattice vibrations. Transconductance and ION/IOFF ratio display a concomitant decrease at higher temperatures, indicative of the heightened susceptibility of OTFT performance to temperature fluctuations. The depreciation in subthreshold slope and threshold voltage with rising temperatures underscores the influence of temperature on trap states. The research emphasizes the importance of considering temperature’s impact during OTFT design for diverse applications, enhancing the reliability and functionality of organic electronic devices.
The carbon footprint of a surgical pathology laboratory in France
Authors: Béchu Constance , Rullier Anne , Lesoin Pierre-Emmanuel , Gaillot-Durand, Lucie , Trecourt Alexis , Gosset Pierre , Tilmant Cyprien 
Published: March 2024

Abstract

Objectives
The health sector contributes to climate disruption through greenhouse gas (GHG) emissions. It accounts for 8% to 10% of France’s GHG emissions. Although the medical community has been alerted to the problem, more data are needed. This study aimed to determine the carbon footprint of a surgical pathology laboratory.

Methods
The study was conducted in the surgical pathology laboratory at Saint Vincent hospital (Lille) in 2021. It represented 17,242 patient cases corresponding to 54,124 paraffin blocks. The 17 staff members performed cytology, immunohistochemistry, and in situ hybridization. The study included all inputs, capital equipment, freight, travel, energy consumption, and waste. Carbon emission factors were based on the French Agence De l’Environnement et de la Maîtrise de l’Energie database.

Results
In 2021, the pathology laboratory’s carbon footprint was 117 tons of CO2 equivalent (t CO2e), corresponding to 0.5% of Saint Vincent hospital’s total emissions. The most significant emissions categories were inputs (60 t CO2e; 51%), freight associated with inputs (24 t CO2e; 20%), and travel (14 t CO2e; 12%). Waste and energy generated 10 t CO2e (9%) and 9 t CO2e (8%), respectively.

Conclusions
The pathology laboratory’s carbon footprint was equivalent to the yearly carbon impact of 11 French inhabitants. This footprint is dominated by inputs and associated freight. This suggests an urgent need to develop ecodesign and self-sufficiency in our routine practices.
Fire facilitates ground layer plant diversity in a Miombo ecosystem
Authors: Wieczorkowski Jakub D , Lehmann Caroline E R , Archibald Sally , Banda Sarah , Goyder David J , Kaluwe Mokwani , Kapinga Kondwani , Larridon Isabel , Mashau Aluoneswi C , Phiri Elina , Syampungani Stephen 
Published: March 2024

Abstract

Background and Aims
Little is known about the response of ground layer plant communities to fire in Miombo ecosystems, which is a global blind spot of ecological understanding. We aimed: (1) to assess the impact of three experimentally imposed fire treatments on ground layer species composition and compare it with patterns observed for trees; and (2) to analyse the effect of fire treatments on species richness to assess how responses differ among plant functional groups.

Methods
At a 60-year-long fire experiment in Zambia, we quantified the richness and diversity of ground layer plants in terms of taxa and functional groups across three experimental fire treatments of late dry-season fire, early dry-season fire and fire exclusion. Data were collected in five repeat surveys from the onset of the wet season to the early dry season.

Key Results
Of the 140 ground layer species recorded across the three treatments, fire-maintained treatments contributed most of the richness and diversity, with the least number of unique species found in the no-fire treatment. The early-fire treatment was more similar in composition to the no-fire treatment than to the late-fire treatment. C4 grass and geoxyle richness were highest in the late-fire treatment, and there were no shared sedge species between the late-fire and other treatments. At a plot level, the average richness in the late-fire treatment was twice that of the fire exclusion treatment.

Conclusions
Heterogeneity in fire seasonality and intensity supports diversity of a unique flora by providing a diversity of local environments. African ecosystems face rapid expansion of land- and fire-management schemes for carbon offsetting and sequestration. We demonstrate that analyses of the impacts of such schemes predicated on the tree flora alone are highly likely to underestimate impacts on biodiversity. A research priority must be a new understanding of the Miombo ground layer flora integrated into policy and land management.
Diagnostics for regression models with semicontinuous outcomes
Authors: Yang Lu 
Published: March 2024

ABSTRACTSemicontinuous outcomes commonly arise in a wide variety of fields, such as insurance claims, healthcare expenditures, rainfall amounts, and alcohol consumption. Regression models, including Tobit, Tweedie, and two-part models, are widely employed to understand the relationship between semicontinuous outcomes and covariates. Given the potential detrimental consequences of model misspecification, after fitting a regression model, it is of prime importance to check the adequacy of the model. However, due to the point mass at zero, standard diagnostic tools for regression models (eg, deviance and Pearson residuals) are not informative for semicontinuous data. To bridge this gap, we propose a new type of residuals for semicontinuous outcomes that is applicable to general regression models. Under the correctly specified model, the proposed residuals converge to being uniformly distributed, and when the model is misspecified, they significantly depart from this pattern. In addition to in-sample validation, the proposed methodology can also be employed to evaluate predictive distributions. We demonstrate the effectiveness of the proposed tool using health expenditure data from the US Medical Expenditure Panel Survey.
Nasal Delivery of Haemophilus haemolyticus Is Safe, Reduces Influenza Severity, and Prevents Development of Otitis Media in Mice
Authors: Scott Naomi , Martinovich Kelly M , Granland Caitlyn M , Seppanen Elke J , Tjiam M Christian , de Gier Camilla , Foo Edison , Short Kirsty R , Chew Keng Yih , Fulurija Alma , Strickland Deborah H , Richmond Peter C , Kirkham Lea-Ann S 
Published: March 2024

Abstract

Background
Despite vaccination, influenza and otitis media (OM) remain leading causes of illness. We previously found that the human respiratory commensal Haemophilus haemolyticus prevents bacterial infection in vitro and that the related murine commensal Muribacter muris delays OM development in mice. The observation that M muris pretreatment reduced lung influenza titer and inflammation suggests that these bacteria could be exploited for protection against influenza/OM.

Methods
Safety and efficacy of intranasal H haemolyticus at 5 × 107 colony-forming units (CFU) was tested in female BALB/cARC mice using an influenza model and influenza-driven nontypeable Haemophilus influenzae (NTHi) OM model. Weight, symptoms, viral/bacterial levels, and immune responses were measured.

Results
Intranasal delivery of H haemolyticus was safe and reduced severity of influenza, with quicker recovery, reduced inflammation, and lower lung influenza virus titers (up to 8-fold decrease vs placebo; P ≤ .01). Haemophilus haemolyticus reduced NTHi colonization density (day 5 median NTHi CFU/mL = 1.79 × 103 in treatment group vs 4.04 × 104 in placebo, P = .041; day 7 median NTHi CFU/mL = 28.18 vs 1.03 × 104; P = .028) and prevented OM (17% OM in treatment group, 83% in placebo group; P = .015).

Conclusions
Haemophilus haemolyticus has potential as a live biotherapeutic for prevention or early treatment of influenza and influenza-driven NTHi OM. Additional studies will deem whether these findings translate to humans and other respiratory infections.
Patient and Immunological Factors Associated With Delayed Clearance of Mucosal Severe Acute Respiratory Syndrome Coronavirus 2 RNA and Symptom Persistence
Authors: Stone Mars , Spencer Bryan R , Warden Donald E , Fink Rebecca V , Saa Paula , Leddy Jennifer , Mulach-Vannoy Jackie , Townsend Rebecca , Krysztof David , Hughes Alexandria N , Di Germanio Clara , Kessler Debra A , Kleinman Steven , Busch Michael P , Norris Philip J 
Published: March 2024

Abstract
Serial blood and mucosal samples were characterized for 102 participants enrolled a median of 7.0 days after coronavirus disease 2019 diagnosis. Mucosal RNA was detectable for a median of 31.5 (95% confidence interval [CI], 20.5–63.5) days, with persistence ≥1 month associated with obesity (body mass index [BMI] ≥30 kg/m2; odds ratio [OR], 3.9 [95% CI, 1.2–13.8]) but not age, sex, or chronic conditions. Fifteen participants had likely reinfection; lower serum anti-spike IgG levels were associated with reinfection risk. Nearly half of participants (47%) reported symptoms lasting ≥2–3 months; persistence ≥3 months was associated with BMI ≥30 kg/m2 (OR, 4.2 [95% CI, 1.1–12.8]) and peak anti-spike and anti-nucleocapsid antibody levels.
Where to start? The Irish Emergency Department Antimicrobial Discharge (EDAD) study: a multicentre, prospective cohort analysis
Authors: Rafferty Aisling , Talento Alida Fe , Drew Richard , Fitzpatrick Patrick , Tedford Kara , Barrett Michael , Mahomed Husnain , O’Regan Sabrina , Delany Louise , O’Connor Síle , Buseckyte Agne , Brovchin Andrei , Hassan Elhaytham , Marzec Anna , Martin Donna , Greene Clare , Marriott John , Cunney Robert 
Published: March 2024

Abstract

Objectives
To determine the percentage of patients across Ireland who are discharged from the Emergency Department (ED) with an antimicrobial prescription, the indication, classification of infections, and guideline compliance. To identify potential areas for antimicrobial stewardship (AMS) interventions in the ED.

Patients and methods
A multicentre, prospective cohort analysis study in EDs across eight hospitals in Ireland. At each site, patients aged 1 month and older who presented to the ED and were discharged directly from the ED were included. A random selection of records of patients discharged from the ED were reviewed until a minimum of 30 records with an infection diagnosis resulting in an antibiotic prescription were obtained per hospital. The number of patient discharges with no antibiotic prescriptions were included to calculate the denominator. The indication, infection classification and guideline compliance data were collected on the 30 prescriptions in the participating hospitals.

Results
A total of 2619 patient records were reviewed. Of these, 249 (9.5%) patients were discharged with antimicrobial prescriptions from the ED. Most (158; 63%) were classified as probable bacterial infection, 21 (8%) as probable viral, and 18 (7%) had no documented evidence of infection. Three indications accounted for 73% of antimicrobial prescriptions: skin/soft tissue infection; ear, nose and throat infection; and urinary tract infection. Overall guideline compliance was 64%.

Conclusions
Several areas for AMS interventions to optimize antimicrobial prescribing in the ED were identified, including targeted local and national guideline reviews, delayed prescribing, improved point-of-care testing and prescriber and patient education.
Low-grade fibromyxoid sarcoma in laryngopharynx: the first case report in the literature
Authors: Tally Hanan , Al-janabi Moatasem Ali Hussein , AlDwairy Heba , Al-Shehabi Zuheir , Ibrahim Mostafa 
Published: March 2024

Abstract
Low-grade fibromyxoid sarcoma is a rare mesenchymal neoplasm with distinctive histopathological features. Although it typically arises in the deep soft tissues of the trunk and extremities, its occurrence in the head and neck region is exceedingly rare. We present the first documented case of low-grade fibromyxoid sarcoma in the laryngopharynx, expanding the spectrum of this rare tumor’s anatomical localization. The clinical, radiological, and histopathological features of this unique case are discussed, highlighting the diagnostic challenges and therapeutic considerations associated with this uncommon presentation.
PyF2F: a robust and simplified fluorophore-to-fluorophore distance measurement tool for Protein interactions from Imaging Complexes after Translocation experiments
Authors: Hernandez Altair C , Ortiz Sebastian , Betancur Laura I , Dojčilović Radovan , Picco Andrea , Kaksonen Marko , Oliva Baldo , Gallego Oriol 
Published: March 2024

Abstract
Structural knowledge of protein assemblies in their physiological environment is paramount to understand cellular functions at the molecular level. Protein interactions from Imaging Complexes after Translocation (PICT) is a live-cell imaging technique for the structural characterization of macromolecular assemblies in living cells. PICT relies on the measurement of the separation between labelled molecules using fluorescence microscopy and cell engineering. Unfortunately, the required computational tools to extract molecular distances involve a variety of sophisticated software programs that challenge reproducibility and limit their implementation to highly specialized researchers. Here we introduce PyF2F, a Python-based software that provides a workflow for measuring molecular distances from PICT data, with minimal user programming expertise. We used a published dataset to validate PyF2F’s performance.