bluuebunny/crossref_metadata_2025_split huggingface dataset:
Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data
Authors: Broderick Kirby , Burnley Robert A. , Gellman Andrew J. , Kitchin John R. 
Published: March 2024

AbstractSurface segregation, whereby the surface composition of an alloy differs systematically from the bulk, has historically been hard to study, because it requires experimental and modeling methods that span alloy composition space. In this work, we study surface segregation in catalytically relevant noble and platinum‐group metal alloys with a focus on three ternary systems: AgAuCu, AuCuPd, and CuPdPt. We develop a data set of 2478 fcc slabs with those compositions including all three low‐index crystallographic orientations relaxed with Density Functional Theory using the PBEsol functional with D3 dispersion corrections. We fine‐tune a machine learning model on this data and use the model in a series of 1800 Monte Carlo simulations spanning ternary composition space for each surface orientation and ternary chemical system. The results of these simulations are validated against prior experimental surface segregation data collected using composition spread alloy films for AgAuCu and AuCuPd. Our findings reveal that simulations conducted using the (110) orientation most closely match experimentally observed surface segregation trends, and while predicted trends qualitatively match observation, biases in the PBEsol functional limit numeric accuracy. This study advances understanding of surface segregation and the utility of computational studies and highlights the need for further improvements in simulation accuracy.
Interleaved bidirectional DC–DC converter with single‐phase high‐frequency isolation for the wide range of industrial applications
Authors: El Kattel Menaouar Berrehil , Nogueira Cavalcante Kassio Derek , Praça Paulo Peixoto , Oliveira Junior Demercil de Souza , Marcelo Antunes Fernando Luiz 
Published: March 2024

SummaryThis paper outlines the development of an interleaved bidirectional DC–DC converter featuring single‐phase high‐frequency isolation and employing two distinct pulse width modulations (PWMs), one for each power flow direction. The analysis of converter stages, expressions for DC voltage gains, and voltage/current stresses in continuous conduction mode are presented. The proposed converter offers several advantages, including a new modulation approach, a current ripple frequency, and voltage in two ports that are four times higher than the switching frequency. Additionally, it entails a reduction in the volume and weight of passive elements and ensures balanced current distribution between the arms. Moreover, the single‐phase transformer offers galvanic isolation between the DC bus and the battery or supercapacitor. An experimental prototype has been implemented in the laboratory to validate the mathematical and theoretical analysis for both energy flow directions under the test conditions, with a converter‐rated power of 2.5 kW, a low voltage side of 180 V, and a high voltage side of 380 V.
Selective Palladium(II)‐Catalyzed Dimerization of Styrenes and Acrylates in Molten Tetrabutylammonium Acetate as an Ionic Liquid
Authors: Aloia Andrea , Casiello Michele , Nacci Angelo , Monopoli Antonio 
Published: March 2024

AbstractA method for the selective dimerization of styrenes and acrylates has been developed. The reaction is catalyzed by a very low amount of palladium acetate in molten tetrabutylammonium acetate without the need for any additional ligand. The use of this method enabled the coupling of substituted vinyl arenes in reasonable yields to give exclusively the (E,E)‐1,4‐diarylbutadiene motif within 7–10 h. Acrylates, on the other hand, exhibit higher reactivity, and the use of dibutyl acrylate resulted in the quantitative synthesis of dibutyl 2‐methyleneglutarate in less than 2 h. This selectivity is unprecedented in the literature. The role of the ionic liquid and the different catalytic pathways involved in the two processes were also elucidated.
Dielectric properties of human macrophages are altered by Mycobacterium tuberculosis infection
Authors: Johnson Matthew P. , Lauterkorn Nira , Lewis Rebecca , Labeed Fatima H. , Hingley‐Wilson Suzanne M. , Hughes Michael Pycraft 
Published: March 2024

AbstractThe analysis of cell electrophysiology for pathogenic samples at BSL3 can be problematic. It is virtually impossible to isolate infected from uninfected without a label, for example green fluorescent protein, which can potentially alter the cell electrical properties. Furthermore, the measurement of highly pathogenic organisms often requires equipment dedicated only for use with these organisms due to safety considerations. To address this, we have used dielectrophoresis to study the electrical properties of the human THP‐1 cell line and monocyte‐derived macrophages before and after infection with non‐labelled Mycobacterium tuberculosis. Infection with these highly pathogenic bacilli resulted in changes including a raised surface conductance (associated with reduced zeta potential) and increased capacitance, suggesting an increase in surface roughness. We have also investigated the effect of fixation on THP‐1 cells as a means to enable study on fixed samples in BSL1 or 2 laboratories, which suggests that the properties of these cells are largely unaffected by the fixation process. This advance results in a novel technique enabling the isolation of infected and non‐infected cells in a sample without labelling.
Accessibility, availability and common practices regarding genetic testing for epilepsy across Europe: A survey of the European Reference Network EpiCARE
Authors: Papadopoulou Maria T. , Muccioli Lorenzo , Bisulli Francesca , Klotz Kerstin Alexandra , Fons Carmen , Trivisano Marina , Kabulashvili Teia , Specchio Nicola , Lesca Gaetan , Arzimanoglou Alexis 
Published: March 2024

AbstractObjectiveThe increasingly rapid pace of advancement in genetic testing may lead to inequalities in technical and human resources with a negative impact on optimal epilepsy clinical practice. In this view, the European Reference Network (ERN) for Rare and Complex Epilepsies EpiCARE conducted a survey addressing several aspects of accessibility, availability, costs, and standard practices on genetic testing across ERN EpiCARE centers.MethodsAn online Google form was sent to 70 representatives of ERN EpiCARE centers. Descriptive statistics and qualitative analysis were used for data presentation.ResultsWe received 45 responses (1/center) representing 23 European countries with a better representation of Western Europe. Forty‐five percent of the centers did not have access to all available types of genetic testing, mainly reflecting the limited availability of whole‐genome sequencing (WGS). Thirty‐five percent of centers report cost coverage only for some of the available tests, while costs per test varied significantly (interquartile range IQR ranging from 150 to 1173 euros per test across centers). Urgent genetic testing is available in 71.7% of countries (time‐to‐urgent result: 2 day to 2 months). The average time‐to‐result of specific tests in case of non‐urgent prescription has a significant variance across centers, with the biggest range observed for whole‐exome sequencing (6–128 weeks, IQR: 27 weeks). The percentage of agreement among the experts regarding the choice of genetic test at first intention in specific clinical situations was in all cases less than 50 percent (34.9% to 47% according to the proposed scenarios).SignificanceCosts, time to deliver the results to the clinician, and type of first‐line genetic testing vary widely across Europe, even in countries where ERN EpiCARE centers are present. Increased availability of genetic tests and guidance for optimal test choices in epilepsy remains essential to avoid diagnostic delays and excess health costs.Plain Language SummaryThe survey of the ERN EpiCARE highlights disparities in genetic testing for epilepsy across 45 ERN EpiCARE centers in 23 European countries. The findings reveal variable access to certain genetic tests, with lowest access to WGS. Costs and time‐to‐results vary widely. Urgent genetic testing is available in 71.7% of countries. Agreement among experts on first‐line genetic tests for specific patient scenarios is below 50%. The study emphasizes the need for improved test availability and guidance to avoid diagnostic delays and unnecessary costs. EpiCARE has the mission to contribute in homogenizing best practices across Europe.
Molecular and phylogenetic characterization of the monkeypox outbreak in the South of Spain
Authors: Casimiro‐Soriguer Carlos S. , Perez‐Florido Javier , Lara Maria , Camacho‐Martinez Pedro , Merino‐Diaz Laura , Pupo‐Ledo Inmaculada , de Salazar Adolfo , Fuentes Ana , Viñuela Laura , Chueca Natalia , Martinez‐Martinez Luis , Lorusso Nicola , Lepe Jose A. , Dopazo Joaquín , Garcia Federico 
Published: March 2024

AbstractBackground and AimUntil the May 2022 Monkeypox (MPXV) outbreak, which spread rapidly to many non‐endemic countries, the virus was considered a viral zoonosis limited to some African countries. The Andalusian circuit of genomic surveillance was rapidly applied to characterize the MPXV outbreak in the South of Spain.MethodsWhole genome sequencing was used to obtain the genomic profiles of samples collected across the south of Spain, representative of all the provinces of Andalusia. Phylogenetic analysis was used to study the relationship of the isolates and the available sequences of the 2022 outbreak.ResultsWhole genome sequencing of a total of 160 MPXV viruses from the different provinces that reported cases were obtained. Interestingly, we report the sequences of MPXV viruses obtained from two patients who died. While one of the isolates bore no noteworthy mutations that explain a potential heightened virulence, in another patient the second consecutive genome sequence, performed after the administration of tecovirimat, uncovered a mutation within the A0A7H0DN30 gene, known to be a prime target for tecovirimat in its Vaccinia counterpart. In general, a low number of mutations were observed in the sequences reported, which were very similar to the reference of the 2022 outbreak (OX044336), as expected from a DNA virus. The samples likely correspond to several introductions of the circulating MPXV viruses from the last outbreak. The virus sequenced from one of the two patients that died presented a mutation in a gene that bears potential connections to drug resistance. This mutation was absent in the initial sequencing before treatment.
Fluid‐structure interaction study of an oscillating heat source effect on the natural convection flow
Authors: Tarek Nehila , Elhadj Benachour , Mohammad Ghalambaz , Mohammed Hasnat , Khadidja Asnoune 
Published: March 2024

AbstractThe objective of this paper is to investigate fluid‐structure interaction (FSI) within conjugate natural convection. An oscillating fin, featuring a heat source placed at different locations, is examined using the Arbitrary Lagrangian–Eulerian formulation. The Galerkin finite element method is utilized to solve nonlinear dimensionless equations. Verification of grid independence is conducted and the model undergoes validation. Simulation outcomes for three fin positions (left, center, and right) and three heat source locations (bottom, middle, and top) are presented, illustrating streamlines, isotherms, and the average Nusselt number. The governing equations and boundary conditions are addressed using the finite element method. Temperature profiles in four scenarios are analyzed, along with horizontal velocities at different levels (0, D/2, D from the bottom wall). Dimensionless time (10−5 ≤ t ≤ 3), Ra = 106, Kr = 10, E = 1011 are used as parameters. The impact of the heat source position on vibratory motion is evaluated through Nusselt number variation, affecting heat exchange in different cases. The results show that heat transfer is minimal for a source location at the center of the fin (c). These findings also offer insights into FSI applications in economics and industry, guiding practical design considerations. Additionally, coupling the vibratory motion of the heat source with the flexible oscillating fin at the same frequency enhances understanding of the system.
Inter‐ and intraobserver agreement of antenatal cardiotocography assessments by maternity care professionals: A prospective study
Authors: Neppelenbroek Elise M. , van der Heijden Olivier W. H. , de Vet Henrica C. W. , de Groot Amanda J. J. , Daemers Darie O. A. , de Jonge Ank , Verhoeven Corine J. M. 
Published: March 2024

AbstractObjectiveIn the Netherlands, antenatal cardiotocography (aCTG) to assess fetal well‐being is performed in obstetrician‐led care. An innovative initiative was started to evaluate whether aCTG for specific indications—reduced fetal movements, external cephalic version, or postdate pregnancy—is feasible in non‐obstetrician‐led care settings by independent primary care midwives. Quality assessment is essential when reorganizing and shifting tasks and responsibilities. Therefore, we aimed to assess the inter‐ and intraobserver agreement for aCTG assessments between and within four professional groups involved in Dutch maternity care regarding the overall classification and assessment of the various components of aCTG.MethodThis was a prospective study among 47 Dutch primary care midwives, hospital‐based midwives, residents, and obstetricians. Ten aCTG traces were assessed twice at a 1 month interval. To ensure a representative sample, we used two different sets of 10 aCTG traces each. We calculated the degree of agreement using the proportions of agreement.ResultsThe proportions of agreement for interobserver agreement on the classification of aCTG between and within the four professional groups varied from 0.82 to 0.94. The proportions of agreement for each professional group were slightly higher for intraobserver (0.86–0.94) than for interobserver agreement. For the various aCTG components, the proportions of agreement for interobserver agreement varied from 0.64 (presence of contractions) to 0.98 (baseline heart frequency).ConclusionThe proportion of agreement levels between and within the maternity care professionals in the classification of aCTG traces among healthy women were comparable. This means that these professional groups are equally well able to classify aCTGs in healthy pregnant women.
Antagonism of metabotropic glutamate receptor type 5 prevents levodopa‐induced dyskinesia development in a male rat model of Parkinson's disease: Electrophysiological evidence
Authors: Kamo Hikaru , Iwamuro Hirokazu , Nakamura Ryota , Nojiri Shuko , Okuzumi Ayami , Ogawa Takashi , Nakajima Asuka , Hattori Nobutaka , Shimo Yasushi 
Published: March 2024

AbstractLevodopa‐induced dyskinesia (LID) is a common complication in patients with advanced Parkinson's disease (PD) undergoing treatment with levodopa. Glutamate receptor antagonists can suppress LID; however, the underlying mechanisms remain unclear. Here, we aimed to evaluate the effect of 3‐((2‐methyl‐1,3‐thiazol‐4‐yl)ethynyl)pyridine (MTEP), a metabotropic glutamate receptor 5 (mGluR5) antagonist, on dyskinesia. We recorded the neuronal activity of the entopeduncular nucleus and examined responses to cortical electric stimulation in the control group (n = 6) and three groups of rats (male PD model). Saline was intraperitoneally administered to dopamine lesioned (DL) rats (n = 6), levodopa/benserazide (L/B) was administered to LID rats (n = 8), and L/B combined with MTEP was administered to MTEP rats (n = 6) twice daily for 14 days. We administered L/B to LID and MTEP rats 48 h after the final administration of MTEP to examine the chronic effect of MTEP. The control and DL groups did not have LID. The MTEP group had less LID than the LID group (p < .01) on day 1 and day 18. The control group had a typical triphasic pattern consisting of early excitation (early‐Ex), inhibition, and late excitation (late‐Ex). However, the inhibition phase disappeared, was partially observed, and was fully suppressed in the DL, LID, and MTEP groups, respectively. The cortico‐striato‐entopeduncular pathway is important in the pathophysiology of LID. mGluR5 antagonism suppresses LID progression by preventing physiological changes in the cortico‐striato‐entopeduncular pathway. Future studies are required to validate these results.
Median Nerve Shear Wave Elastography Is Associated With the Neurophysiological Severity of Carpal Tunnel Syndrome
Authors: Martikkala Lauri , Pemmari Antti , Himanen Sari‐Leena , Mäkelä Katri 
Published: March 2024

ObjectivesThis study examines the associations between the median nerve (MN) shear wave elastography (SWE), the MN cross‐sectional area (CSA), patient's symptoms, and the neurophysiological severity of carpal tunnel syndrome (CTS). The most appropriate site to perform SWE was also tested.MethodsThis prospective study comprised 86 wrists of 47 consecutive patients who volunteered for MN ultrasound after an electrodiagnostic study. The neurophysiological severity of CTS was assessed according to the results of a nerve conduction study (NCS). The MN CSA was measured at the carpal tunnel inlet (wCSA) and the forearm (fCSA). SWE was performed on the MN in a longitudinal orientation at the wrist crease (wSWE), at the forearm (fSWE), and within the carpal tunnel (tSWE).ResultsThe wCSA and wSWE correlated positively with the neurophysiological severity of CTS (r = .619, P < .001; r = .582, P < .001, respectively). The optimal cut‐off values to discriminate the groups with normal NCS and with findings indicating CTS were 10.5 mm2 for the wCSA and 4.12 m/s for the wSWE. With these cut‐off values, wCSA had a sensitivity of 80% and specificity of 87% and wSWE a sensitivity of 88% and specificity of 76%. Neither tSWE nor fSWE correlated with the neurophysiological severity of CTS or differed between NCS negative and positive groups (P = .429, P = .736, respectively).ConclusionShear wave velocity in the MN at the carpal tunnel inlet increases in CTS and correlates to the neurophysiological CTS severity equivalently to CSA measured at the same site.
Comparison of Hashin and Puck criterions for failure behavior of pin loaded composite plates
Authors: Dogan C. , Kaman M. O. , Erdem S. , Albayrak M. 
Published: March 2024

AbstractIn this study, the failure behavior of carbon fiber‐reinforced pin‐jointed composite plates were analyzed for different criteria. For this purpose, composite plates with a single and double pin joints were prepared from four layers carbon fiber composites. The effect of pin number, pin position on plate damage load and type was investigated experimentally and numerically under the tensile test. Numerically, progressive damage analysis was performed using Hashin and Puck failure criteria, and the approach rates to the experimental results were determined. It was observed that the experimental results obtained for single pin joint composites and the numerical data obtained using the Puck damage criterion were at least 87 % compatible, and this rate was determined as 85 % for the Hashin failure criterion. For the double pin jointed composites, it was seen that the experimental results and the results of the Puck damage criterion were compatible with at least 90 %, and this rate was obtained as 84 % for the Hashin failure criterion. The dominant damage type seen in the specimen is matrix shear and fiber compression according to the Hashin damage criterion, inter fiber failure in transverse tension for Puck.
Influence of laser beam welding in vacuum on the magnetic properties of non‐grain oriented electrical steel sheets
Authors: Krichel T. , Olschok S. , Reisgen U. 
Published: March 2024

AbstractMajor components of electrical motors are toroidal cores made of stacked electrical steel sheets. All common joining methods cause a degradation of the magnetic properties of the toroidal cores. In this paper, pulsed laser beam welding in vacuum is used to join the individual electrical steel sheets. It is shown that the magnetic behaviour of the toroidal cores can be influenced by variation of process parameters like beam power and working pressure.
Evaluation of innovative microreactor for examination of alkoxide pitting corrosion and data generation for numerical transient model
Authors: Arya V. , Gazenbiller E. , Reitz R. , Oechsner M. , Höche D. 
Published: March 2024

AbstractIn fuel‐bearing components, particularly in automotive applications operating at elevated temperatures, the durability of light metals is significantly influenced by their susceptibility to alkoxide corrosion. Alkoxide corrosion is characterized by its spontaneous nature and exceptionally rapid degradation of materials once initiated. This study presents an innovative high‐pressure and high‐temperature micro‐reactor, which enables precise measurements with superior sensitivity for determining the exact initiation times and reaction rates of pitting corrosion. Exemplified tests of surface roughness and water content effect on pitting initiation times were conducted and data was generated for a numerical phase field model to demonstrate the reactor capabilities. Experimental findings suggest that impurities present on both the material surface and in the fuel exhibit a significant influence on corrosivity, thereby affecting the reliability of the components. Moreover, the experimental data points have been utilized to extract the corrosion kinetics and calibrate the numerical model. The initial findings successfully demonstrate the ability to replicate corrosion kinetics and accurately represent pit morphologies and estimate reaction‐related parameters in a predictive manner.
Aging properties of a vegetable‐based polyurethane foam under high relative humidity and different temperatures
Authors: Da Silva Enio Henrique Pires , De Barros Silvio , Casari Pascal , Ribeiro Marcelo Leite 
Published: March 2024

AbstractThe objective of this study is to assess, characterize, and forecast the aging effects on the mechanical properties of a vegetable‐based polyurethane foam (PUF) derived from castor oil under elevated relative humidity conditions and at two distinct load orientations (aligned with the expansion direction and perpendicular to it). Ten specimens were subjected to temperatures of 60, 75, and 90°C, along with a relative humidity of 90%, for a duration of up to 60 days. Compression tests, following ASTM D1621‐16 standards and supplemented by 3D digital image correlation, revealed nearly isotropic behavior with marginally lower compression strength in the expansion direction. On the other hand, the strength of the foams at 90°C was higher in that direction. This led to a smaller activation energy (Ea) in this property, which ended up showing a shorter lifespan prediction considering the strength retention in this direction. The stiffness values were proportionally more similar in both directions than the strength ones and this was observed in the Ea for those curves. In contrast to several other foams and polyurethanes, the one examined in this study exhibited consistently higher Ea values for its mechanical properties, particularly in the transverse direction to expansion, surpassing 94 kJ/mol. This indicates a robust diffusion and chemical stability, suggesting its potential for prolonged utilization compared to conventional oil‐based foams. A prediction was made that this foam would lose 50% of its stiffness and strength in around 9.8 and 9.5 years at 20°C, respectively, considering the directions more sensitive to the aging process. This research offers valuable insights for predicting lifespan based on operating temperatures and property retention needs, contributing to the advancement of sustainable materials in structural applications.Highlights
Fifty specimens investigated for each of two directions.
Evaluation of vegetable‐based PUF aging process unveils density changes.
Unique behavior noted: different Ea values for each direction.
High Ea values indicate enhanced mechanical stability over oil‐based foams.
Lifespan prediction enhances material application prospects.