bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of Enhanced Interactions for Highly Coarse-Grained Materials
Authors: Seaton Michael , Sokhan Vlad , Todorov Ilian 
Published: September 2024

Abstract
Modelling micro- and mesoscale transport of soft condensed matter hinges upon its representation, including any complex phenomena, at appropriate length and time scales, especially when using larger-than-atomistic techniques such as dissipative particle dynamics (DPD). Simple repulsive pairwise interactions typically used in DPD calculations can capture some complexity, but certain thermodynamic behaviours such as single-component phase coexistence and transitions are normally unavailable. By extending the commonly-used DPD interactions to include attraction and additional control on repulsion, we have devised a new interaction model for highly coarse-grained and mesoscopic scales. The model, denoted here as nDPD, retains many advantages of the original while enabling more complex thermodynamic behaviours, particularly vapour-liquid coexistence below a critical point and solid-liquid transitions. Some of its features include: changes in liquid curves for vapour-liquid coexistence based on repulsion steepness, comparatively low melting points, contraction of solid phases upon heating (negative thermal expansion) and pressure-induced melting. Here, we demonstrate how nDPD can be parameterised for highly coarse-grained water, and how well it fits potentials for long polymeric chains that have been systematically coarse-grained from atomistic molecular dynamics calculations. These enable further exploration of these materials in the rheological domain using DPD-based modelling.
Numerical Investigation on Mixed Convection With Nanofluids in Vertical Channels With Different Aspect Ratios and Moving Plate
Authors: Buonomo Bernardo , Manca Oronzio , Nardini Sergio , Ripoli Chiara , Sarli Gianluca 
Published: September 2024

Abstract
A numerical investigation on 2-dimensional steady-state mixed convection in a vertical channel asymmetrically heated with water-alumina (Al2O3) nanofluids has been conducted to assess the aspect ratio’s impact on thermal and fluid dynamic behaviors. This research is of interest due to its relevance to various technological applications such as nuclear reactors and electronic components. The nanoparticles used have a fixed diameter of 30 nm, and four different concentrations (ranging from 0 to 6%) were examined. The computational domain comprises the channel and two lateral reservoirs, which mimic the external ambient conditions. The channel is defined by two vertical parallel plates: one plate is subjected to a constant heat flux, while the other plate moves in the direction of buoyancy. The governing equations were solved numerically using the finite volume method with the ANSYS-Fluent code. Three different aspect ratios of the channel (5, 10, and 20), seven wall heat flux values (corresponding to Ra = 7*102 to 106), and six velocities of the unheated plate (with Re = 1 to 102) were considered. The results are presented in terms of velocity, temperature, shear stress, and stream function. Additionally, correlations for predicting the average Nusselt number along the heated plate are provided.
Lithium-Ion Battery Thermal Management System Using Diamond Based Nanofluid and Hybrid Nanofluid Active Cooling
Authors: Siddiqui Farooq Riaz , Zhang Jim 
Published: September 2024

Abstract
A robust battery thermal management system (BTMS) is crucial for the safety, reliability, and efficiency of Li-ion batteries. An efficient BTMS keeps the battery within a reasonable temperature range, improving its performance. In this research, we investigated the cooling performance of commercially available Li-ion batteries using the diamond nanofluid and the alumina-diamond hybrid nanofluid under laminar and transition flow conditions. We compared the cooling performance of nanofluid and hybrid nanofluid with a benchmark fluid, water. Initially, we performed dry tests without any cooling to investigate the battery mean surface temperature. Subsequently, we performed liquid cooling tests for a series of discharge cycles to evaluate the battery cooling performance. We found that the diamond nanofluid and alumina-diamond hybrid nanofluid outperformed water in battery cooling performance under laminar and transition flow conditions. Moreover, a reduction of up to 25.2% in the temperature increase to discharge capacity ratio (TIDCR) was achieved using nanofluid and hybrid nanofluid cooling compared to water cooling. Also, in a laminar flow regime, the battery cooling performance improved with increasing concentration of the diamond nanofluid. The results indicate that diamond based nanofluids and hybrid nanofluids are viable options for Li-ion battery cooling.
Numerical Simulation of Leidenfrost Effect of Droplets on Porous Substrate
Authors: Cui Peilin , Liu Zhenyu , Wu Huiying 
Published: September 2024

Abstract
The Leidenfrost effect refers to the phenomenon where a liquid droplet instantaneously contacts a high-temperature surface, forming a vapor film that suspends it above the surface. To overcome the increased heat resistance and deteriorated heat transfer caused by the Leidenfrost effect, the surface texturing has been employed to enhance the Leidenfrost point. In this study, a VOF phase-change model coupled with species transport models was established to investigate the phase-change, spreading, and permeation processes of droplet on high-temperature porous surfaces. Furthermore, the effects of heating surface temperature (423 K to 623 K) on droplet dynamics were explored. The results indicate that, due to the competition between capillary forces from the porous structure and vapor expansion, the porous surfaces exhibit a delaying effect on the Leidenfrost phenomenon compared to the flat surfaces. The evaporation of droplets on a porous surface generates higher pressure due to hindered vapor diffusion within the porous structure.
Thermal and Hemodynamic Characterization of Intracranial Aneurysm on Chip: A Numerical Investigation
Authors: Kumar Gaurav , A. M. Aneesh , Kumar Sumit 
Published: September 2024

Abstract
Intracranial aneurysms (IAs) are localized dilations along the blood vessels of the cerebral artery. The rupture of these IAs leads to subarachnoid hemorrhage, which has a very high mortality rate. So, it is essential to understand the flow behavior and rupture mechanism of IAs to improve the existing treatment techniques and develop novel treatment techniques. Aneurysm-on-chip is a microfluidic chip that simulates typical aneurysm mechanics and physiological responses. For hyperthermia and hypothermia patients, the body temperature can vary from 41 °C to 32 °C, above and below which patients need medical emergency. However, a few researchers have investigated the effect of the temperature-dependent viscosity on the flow behavior in IAs. The effect of temperature-dependent viscosity is considered in the present study for a better understanding of the flow behavior in IAs. This problem is simulated using Ansys Fluent 18.1 software. The effect of blood inlet and surface temperatures on the various hemodynamic parameters, such as wall shear stress (WSS) and oscillatory shear index (OSI), have been investigated. It is found that higher WSS and OSI are observed for the lower value of blood inlet and surface temperatures. Thus, Hypothermia patients should be given more care having IAs.
Frequency Analysis of Pressure Oscillations in Subcooled Flow Boiling Through Microchannel Heat Sink
Authors: Shah Nishant , Mehta Hemantkumar B. , Banerjee Jyotirmay 
Published: September 2024

Abstract
The study presents frequency analysis of pressure drop oscillations in subcooled flow boiling through a MCHS. The analysis employs the Welch power spectrum method to estimate the dominant frequency, providing insights into the dynamic behavior of the flow oscillation. The Welch Power Spectrum method addresses its limitation related to spectral leakage by incorporating windowing, leading to more accurate and reliable spectral analysis, especially in scenarios involving non-stationary signals or noisy data. To control the backflow during flow boiling, a single disc spring loaded flow restrictor is incorporated before the inlet plenum of the MCHS. The impact of flow restrictor on pressure drop oscillations is comprehensively examined using Welch power spectrum across varying heat fluxes (25 W/cm2 to 80 W/cm2) and mass fluxes (520 kg/m2s) in a high aspect ratio configuration (500μm channel height and 230μm channel width) of 44 parallel microchannels. This approach enables the identification of dominant frequencies linked to the flow boiling phenomenon, based on the temporal variation of pressure drop. Additionally, the research highlights the efficacy of the flow restrictor in mitigating flow boiling instability within the MCHS.
Promotion of order
Bunyavirales
to class
Bunyaviricetes
to accommodate a rapidly increasing number of related polyploviricotine viruses
Authors: Kuhn Jens H. , Brown Katherine , Adkins Scott , de la Torre Juan Carlos , Digiaro Michele , Ergünay Koray , Firth Andrew E. , Hughes Holly R. , Junglen Sandra , Lambert Amy J. , Maes Piet , Marklewitz Marco , Palacios Gustavo , Sasaya (笹谷孝英) Takahide , Shi (施莽) Mang , Zhang (张永振) Yong-Zhen , Wolf Yuri I. , Turina Massimo 
Published: September 2024

ABSTRACT

Prior to 2017, the family
Bunyaviridae
included five genera of arthropod and rodent viruses with tri-segmented negative-sense RNA genomes related to the Bunyamwera virus. In 2017, the International Committee on Taxonomy of Viruses (ICTV) promoted the family to order
Bunyavirales
and subsequently greatly expanded its composition by adding multiple families for non-segmented to polysegmented viruses of animals, fungi, plants, and protists. The continued and accelerated discovery of bunyavirals highlighted that an order would not suffice to depict the evolutionary relationships of these viruses. Thus, in April 2024, the order was promoted to class
Bunyaviricetes
. This class currently includes two major orders,
Elliovirales
(
Cruliviridae
,
Fimoviridae
,
Hantaviridae
,
Peribunyaviridae
,
Phasmaviridae
,
Tospoviridae
, and
Tulasviridae
) and
Hareavirales
(
Arenaviridae
,
Discoviridae
,
Konkoviridae
,
Leishbuviridae
,
Mypoviridae
,
Nairoviridae
,
Phenuiviridae
, and
Wupedeviridae
), for hundreds of viruses, many of which are pathogenic for humans and other animals, plants, and fungi.
Progressive multifocal leukoencephalopathy in systemic lupus erythematosus treated with pembrolizumab
Authors: Ørum Matilde , Lund Laursen Alex , Troldborg Anne 
Published: September 2024

This case report discusses a patient with systemic lupus erythematosus (SLE) treated with low-dose azathioprine who developed progressive multifocal leukoencephalopathy (PML). PML is a rare, severe, demyelinating disease linked to John Cunningham polyomavirus (JCV) reactivation.Treated with pembrolizumab, an immune checkpoint inhibitor, the patient initially improved. However, after the fourth dose, her condition rapidly worsened resulting in treatment discontinuation and death. Similar cases highlight the complex interplay of factors in PML development in SLE patients, including immunosuppression and genetic factors. The use of pembrolizumab in PML and SLE necessitates careful consideration of potential complications.
Socioeconomic and ethnic disparities in preterm births in an English maternity setting: a population-based study of 1.3 million births
Authors: Kayode G. , Howell A. , Burden C. , Margelyte R. , Cheng V. , Viner M. , Sandall J. , Carter J. , Brigante L. , Winter C. , Carroll F. , Thilaganathan B. , Anumba D. , Judge A. , Lenguerrand E. ,   Tommy’s National Centre for Maternity Improvemen﻿t
Published: September 2024

AbstractBackgroundPreterm birth is a major cause of infant mortality and morbidity and accounts for 7–8% of births in the UK. It is more common in women from socially deprived areas and from minority ethnic groups, but the reasons for this disparity are poorly understood. To inform interventions to improve child survival and their quality of life, this study examined the socioeconomic and ethnic inequalities in preterm births (< 37 weeks of gestation at birth) within Health Trusts in England.MethodsThis study investigated socioeconomic and ethnic inequalities in preterm birth rates across the National Health Service (NHS) in England. The NHS in England can be split into different units known as Trusts. We visualised between-Trust differences in preterm birth rates. Health Trusts were classified into five groups based on their standard deviation (SD) variation from the average national preterm birth rate. We used modified Poisson regression to compute risk ratios (RR) and 95% confidence intervals (95% CI) with generalised estimating equations.ResultsThe preterm birth rate ranged from 6.8/100 births for women living in the least deprived areas to 8.8/100 births for those living in the most deprived areas. Similarly, the preterm birth rate ranged from 7.8/100 births for white women, up to 8.6/100 births for black women. Some Health Trusts had lower than average preterm birth rates in white women whilst concurrently having higher than average preterm birth rates in black and Asian women. The risk of preterm birth was higher for women living in the most deprived areas and ethnicity (Asian).ConclusionsThere was evidence of variation in rates of preterm birth by ethnic group, with some Trusts reporting below average rates in white ethnic groups whilst concurrently reporting well above average rates for women from Asian or black ethnic groups. The risk of preterm birth varied substantially at the intersectionality of maternal ethnicity and the level of socioeconomic deprivation of their residency. In the absence of other explanations, these findings suggest that even within the same Health Trust, maternity care may vary depending on the women’s ethnicity and/or whether she lives in an area of high socioeconomic deprivation. Thus, social factors are likely key determinants of inequality in preterm birth rather than provision of maternity care alone.
Role of cfDNA and ctDNA to improve the risk stratification and the disease follow-up in patients with endometrial cancer: towards the clinical application
Authors: Casas-Arozamena Carlos , Vilar Ana , Cueva Juan , Arias Efigenia , Sampayo Victoria , Diaz Eva , Oltra Sara S , Moiola Cristian Pablo , Cabrera Silvia , Cortegoso Alexandra , Curiel Teresa , Abalo Alicia , Pamies Serrano Mónica , Domingo Santiago , Padilla-Iserte Pablo , Arnaez de la Cruz Marta , Hernández Alicia , García-Pineda Virginia , Ruiz-Bañobre Juan , López Rafael , Matias-Guiu Xavier , Colás Eva , Gil-Moreno Antonio , Abal Miguel , Moreno-Bueno Gema , Muinelo-Romay Laura 
Published: September 2024

Abstract
Background
There has been a rise in endometrial cancer (EC) incidence leading to increased mortality. To counter this trend, improving the stratification of post-surgery recurrence risk and anticipating disease relapse and treatment resistance is essential. Liquid biopsy analyses offer a promising tool for these clinical challenges, though the best strategy for applying them in EC must be defined. This study was designed to determine the value of cfDNA/ctDNA monitoring in improving the clinical management of patients with localized and recurrent disease.

Methods
Plasma samples and uterine aspirates (UA) from 198 EC patients were collected at surgery and over time. The genetic landscape of UAs was characterized using targeted sequencing. Total cfDNA was analyzed for ctDNA presence based on the UA mutational profile.

Results
High cfDNA levels and detectable ctDNA at baseline correlated with poor prognosis for DFS (p-value < 0.0001; HR = 9.25) and DSS (p-value < 0.0001; HR = 11.20). This remained clinically significant when stratifying tumors by histopathological risk factors. Of note, cfDNA/ctDNA analyses discriminated patients with early post-surgery relapse and the ctDNA kinetics served to identify patients undergoing relapse before any clinical evidence emerged.

Conclusions
This is the most comprehensive study on cfDNA/ctDNA characterization in EC, demonstrating its value in improving risk stratification and anticipating disease relapse in patients with localized disease. CtDNA kinetics assessment complements current strategies to monitor the disease evolution and the treatment response. Therefore, implementing cfDNA/ctDNA monitoring in clinical routines offers a unique opportunity to improve EC management.

Translational relevance
The study demonstrates that high levels of cfDNA and detectable ctDNA at baseline are strong indicators of poor prognosis. This enables more accurate risk stratification beyond traditional histopathological factors, allowing clinicians to identify high-risk patients who may benefit from more aggressive treatment and closer monitoring. Moreover, longitudinal analysis of cfDNA/ctDNA can detect disease recurrence months before clinical symptoms or imaging evidence appear. This early warning system offers a significant advantage in clinical practice, providing a window of opportunity for early intervention and potentially improving patient outcomes.
Synthesis of new binary trimethoxyphenylfuran pyrimidinones as proficient and sustainable corrosion inhibitors for carbon steel in acidic medium: experimental, surface morphology analysis, and theoretical studies
Authors: Ali Hajar A. , El-Hossiany Ahmed. A. , Abousalem Ashraf S. , Ismail Mohamed A. , Fouda Abd El-Aziz S. , Ghaith Eslam A. 
Published: September 2024

AbstractIn this study, synthesis and assessment of the corrosion inhibition of four new binary heterocyclic pyrimidinones on CS in 1.0 M hydrochloric acid solutions at various temperatures (30–50 °C) were investigated. The synthesized molecules were designed and synthesized through Suzuki coupling reaction, the products were identified as 5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1221), 2-thioxo-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione (HM-1222), 1,3-diethyl-2-thioxo-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione (HM-1223) and 1,3-dimethyl-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1224). The experiments include weight loss measurements (WL), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP). From the measurements, it can be shown that the inhibition efficiency (η) of these organic derivatives increases with increasing the doses of inhibitors. The highest η recorded from EIS technique were 89.3%, 90.0%, 92.9% and 89.7% at a concentration of 11 × 10−6 M and 298 K for HM-1221, HM-1222, HM-1223, and HM-1224, respectively. The adsorption of the considered derivatives fit to the Langmuir adsorption isotherm. Since the ΔGoads values were found to be between − 20.1 and − 26.1 kJ mol−1, the analyzed isotherm plots demonstrated that the adsorption process for these derivatives on CS surface is a mixed-type inhibitors. Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), atomic force microscope (AFM) and Fourier- transform infrared spectroscopy (FTIR) were utilized to study the surface morphology, whereby, quantum chemical analysis can support the mechanism of inhibition. DFT data and experimental findings were found in consistent agreement.
Graphical Abstract
Spatial–temporal variations of b-values prior to medium-to-large earthquakes in Taiwan and the feasibility of real-time precursor monitoring
Authors: Chan Chung-Han , Kao Jo-Chen , Chen Da-Yi 
Published: September 2024

AbstractThis study explores the b-value variations prior to M ≥ 6.0 earthquakes in Taiwan, examining their potential as earthquake precursors. Focusing on the 2018 Hualien earthquake and others between 1999 and 2021, we found that many large earthquakes occurred in areas with low b-values a year prior, although there were no significant temporal changes near the epicenters. However, for more accurate earthquake precursors, incorporating additional factors is recommended to minimize uncertainty.
Graphical Abstract
Dynamical stiffening of dsDNA confined and stretched in a nanochannel
Authors: Yadav Indresh , Basak Rajib , van Kan Jeroen A. , van der Maarel Johan R. C. 
Published: September 2024

Abstract
The internal dynamics of double-stranded DNA (dsDNA) confined within channels of diameters ranging from the persistence length to twice that length were investigated using fluorescence microscopy. By analysing spatiotemporal intensity fluctuations, we derived the intermediate dynamic structure factor. The structure factor consistently exhibited behaviour characteristic of Rouse dynamics, regardless of the channel diameter. Notably, as the channel diameter decreased, the DNA molecules became increasingly elongated along the channel, leading to shorter relaxation times. These findings indicate a dynamic stiffening effect, where the effective spring constant of a stretched polymer chain increases. We propose that this effect has significant implications for controlling DNA motion in biological and biotechnological applications.
Approach to stationarity for the KPZ fixed point with boundaries
Authors: Prolhac Sylvain 
Published: September 2024

Abstract
Current fluctuations for the one-dimensional totally asymmetric exclusion process (TASEP) connected to reservoirs of particles, and their large scale limit to the KPZ fixed point in finite volume, are studied using exact methods. Focusing on the maximal current phase for TASEP, corresponding to infinite boundary slopes for the KPZ height field, we obtain for general initial condition an exact expression for the late time correction to stationarity, involving extreme value statistics of Brownian paths. In the special cases of stationary and narrow wedge initial conditions, a combination of Bethe ansatz and numerical conjectures alternatively provide fully explicit exact expressions.
Nonsubstitutable Consumption Growth Risk
Authors: Dittmar Robert F. , Schlag Christian , Thimme Julian 
Published: September 2024

Standard applications of the consumption-based asset pricing model assume that goods and services within the nondurable consumption bundle are substitutes. We estimate substitution elasticities between different consumption bundles and show that households cannot substitute energy consumption by consumption of other nondurables. As a consequence, energy consumption affects the pricing function as a separate factor. Variation in energy consumption betas explains a large part of the premia related to value, investment, and operating profitability. For example, value stocks are typically more energy intensive than growth stocks and thus riskier, because they suffer more from the oil supply shocks that also affect households. This paper was accepted by Lukas Schmid, finance. Funding: C. Schlag gratefully acknowledges research and financial support from the Leibniz Institute for Financial Research SAFE. Supplemental Material: The data files are available at https://doi.org/10.1287/mnsc.2022.01269 .