bluuebunny/crossref_metadata_2025 huggingface dataset:
PML restrains p53 activity and cellular senescence in clear cell renal cell carcinoma
Authors: Simoni Matilde , Menegazzi Chiara , Fracassi Cristina , Biffi Claudia C , Genova Francesca , Tenace Nazario Pio , Lucianò Roberta , Raimondi Andrea , Tacchetti Carlo , Brugarolas James , Mazza Davide , Bernardi Rosa
Published: May 2024

Clear-cell renal cell carcinoma (ccRCC), the major subtype of RCC, is frequently diagnosed at late/metastatic stage with 13% 5-year disease-free survival. Functional inactivation of the wild-type p53 protein is implicated in ccRCC therapy resistance, but the detailed mechanisms of p53 malfunction are still poorly characterized. Thus, a better understanding of the mechanisms of disease progression and therapy resistance is required. Here, we report a novel ccRCC dependence on the promyelocytic leukemia (PML) protein. We show that PML is overexpressed in ccRCC and that PML depletion inhibits cell proliferation and relieves pathologic features of anaplastic disease in vivo. Mechanistically, PML loss unleashed p53-dependent cellular senescence thus depicting a novel regulatory axis to limit p53 activity and senescence in ccRCC. Treatment with the FDA-approved PML inhibitor arsenic trioxide induced PML degradation and p53 accumulation and inhibited ccRCC expansion in vitro and in vivo. Therefore, by defining non-oncogene addiction to the PML gene, our work uncovers a novel ccRCC vulnerability and lays the foundation for repurposing an available pharmacological intervention to restore p53 function and chemosensitivity.
Spontaneous coronary artery dissection: a clinically oriented narrative review
Authors: Dang Quan , Burgess Sonya , Psaltis Peter J. , Fairley Sarah , Saw Jacqueline , Zaman Sarah
Published: May 2024

Spontaneous coronary artery dissection (SCAD) is an important cause of acute coronary syndromes (ACS), with a higher incidence in younger female patients. It is also associated with pregnancy, delivery, and the post-partum period. Despite an exponential rise in the volume of SCAD-focused research and publications within the past decade, SCAD is still a poorly understood condition, with a paucity of randomised controlled trial data. This review discusses the pathophysiology, clinical presentation, diagnosis and management of SCAD alongside areas for future research.
Study on synergistic hydrogen generation from aluminum-based composites in different forms of water
Authors: Chen Chong , Lu Jiaxin , Zhang Bobo , Liang Taixin , Xiao Fei
Published: May 2024

The environmental suitability of hydrogen storage materials is significantly influenced by the way aluminum reacts synchronously with water, ice, and water steam.
The past, present, and future of in vivo-implantable recording microelectrodes: the neural interfaces
Authors: Liu Kun , Zhang Hao , Hu Minghui , Li Zifa , Xu Kaiyong , Chen Dan , Cui Wenqiang , Lv Cui , Ding Ran , Geng Xiwen , Wei Sheng
Published: May 2024

This paper reviews the development history of electrodes and common types, addressing the biocompatibility and electrochemical performance issues and their advances and future development directions.
Pyrolysis and gasification of 5–20 mm tyre rubber cubes under carbon dioxide flow
Authors: Jansen Arnold Alexander , Gama Jabulani Selby , van der Walt Izak Jacobus , Crouse Philippus Lodewyk
Published: May 2024

The gasification of rubber chunks under CO2 is a two-step process: first pyrolysis – popping open the bulk materials into charred fragments; followed by a surface reaction with these fragments to form CO – the reverse-Boudouard reaction.
Tight-binding model predicts exciton energetics and structure for photovoltaic molecules
Authors: Jindal Vishal , Aldahdooh Mohammed K. R. , Gomez Enrique D. , Janik Michael J. , Milner Scott T.
Published: May 2024

Conjugated molecules and polymers are being designed as acceptor and donor materials for organic photovoltaic (OPV) cells.
On the brink of self-hydration: the water heptadecamer
Authors: Hartke Bernd
Published: May 2024

(H2O)17 could have all water molecules on the cluster surface or one molecule in its center. This is not clear yet, neither from advanced water models nor from ab initio calculations.
The dehydration mechanism of Na and K birnessites: a comprehensive multitechnique study
Authors: André E. , Cornu D. , Pérez Ramírez L. , Durand P. , Gallet J.-J. , Bournel F. , Rochet F. , Ruby C. , Carteret C. , Coustel R.
Published: May 2024

The structural, spectroscopic and electronic properties of Na and K birnessites were investigated from ambient conditions to complete dehydration, and the involved mechanisms were scrutinized.
Synthesis and characterization of a novel copper carboxylate complex and a copper complex-coated polyether sulfone membrane for efficient degradation of methylene blue dye under UV irradiation: the single crystal X-ray structure of the copper carboxylate complex
Authors: Dhir Rupy , Shah Bulle , Singh Narinder
Published: May 2024

Synthesis of a novel binuclear Cu(ii) carboxylate complex under ambient laboratory conditions is presented.
Potential effects of soil petroleum contamination on decomposition of Artemisia annua plant litter
Authors: Li Jiahao , Liu Kaixuan , Dong Yuxin , Chen Lingsu , Wang Ziquan , Chen Jinqiang , Zhang Xiaoxi
Published: May 2024

Artemisia annua litter produced in soil contaminated with 15 and 30 g kg−1 of petroleum exhibited significantly lower decomposition rates than that from uncontaminated soil.
Highly selective capture and efficient concentration of trace titanium dioxide nanoparticles in environmental waters by phosphorylated ferroferric oxide
Authors: Zheng Ronggang , Yu Sujuan , Yang Rui , Li Peng , Li Qingcun , Li Li , Chen Yuhang , Cai Yaqi , Liu Jingfu
Published: May 2024

Selectively and efficiently capturing trace titanium dioxide nanoparticles (TiO2NPs) in environmental waters is a prerequisite for their determination to understand their occurrence, behavior and effects in the environment.
Biomass derived sulfonated carbon catalysts: efficient catalysts for green chemistry
Authors: Zhu Shangkun , Ke Jian , Li Xiang , Zheng Zixuan , Guo Ruixin , Chen Jianqiu
Published: May 2024

BDSCCs, known as efficient solid acid catalysts with easy preparation and a green source, are anticipated to play a role in advancing circular and economic development in various sectors.
Engineering of efficient functionalization in a zirconium-hydroxyl-based metal–organic framework for an ultra-high adsorption of Pb2+ ions from an aqueous medium: an elucidated uptake mechanism
Authors: Pham Hang M. N. , Phan Anh V. N. , Phan Anh N. T. , Nguyen Vi P. , Nguyen Khang M. V. , Nguyen Hung N. , Nguyen Thai M. , Nguyen My V.
Published: May 2024

Engineering of efficient functionalization in a zirconium-hydroxyl-based metal-organic framework for ultra-high adsorption of Pb2+ ion from an aqueous medium: an elucidated uptake mechanism.
A reflection on ‘Highly dispersible polypyrrole nanospheres for advanced nanocomposite ultrafiltration membranes’
Authors: Lin Cheng-Wei , Kaner Richard B.
Published: May 2024

Lin and Kaner reflect on their group’;s Materials Horizons paper (Liao, Li and Kaner et al., Mater. Horiz., 2014, DOI: https://doi.org/10.1039/C3MH00049D) published in the journal and discuss how their work may have influenced the research field.
Computational exploration of panchromatic dye-sensitized solar cells with broad visible to near-infrared absorption: a density functional theory study
Authors: Consiglio Giuseppe , Gorczyński Adam , Spoto Guido , Petralia Salvatore , Forte Giuseppe
Published: May 2024

Introduction of acene groups improve LHE and photovoltaic properties. Dyes with pentacene showcase a panchromatic effect extending beyond 920 nm. Pyridinium salt as the withdrawing group demonstrated outstanding PCE values.
An unprecedented Cu6 cluster-based bimetallic MOF with multiple open sites for high CO2 capture and efficient CO2 conversion
Authors: Yu Xueyue , Gu Jiaming , Tang Baobing , Xu Tong , Li Guanghua , Chang Zhiyong , Liu Yunling
Published: May 2024

Through soft-hard acid-base theory, a novel bimetallic MOF (JLU-MOF108) with an unprecedented 12-connected Cu6 cluster SBU was synthesized. LAS and LBS inside JLU-MOF108 exhibited significant CO2 capture and conversion capability.
Visible-light-driven, catalyst-free intramolecular crossed and straight [2 + 2] cycloaddition
Authors: Sang Yuan , Zhou Xiaoxuan , Jin Chen , Pan Ling , Liu Qun , Yuan Haiyan , Li Yifei
Published: May 2024

Crossed and straight [2 + 2] cycloaddition with visible light as the sole requirement has been developed, and two kinds of complex molecules were formed. Detailed mechanistic investigations explored the unprecedented rule-breaking regioselectivity.
Catalytic oxidative cyclization of α-carbonyl-γ-alkynyl sulfoxonium ylides for stereospecific synthesis of (1Z,3Z)-1,3-bismethyleneisobenzofurans
Authors: Zhou Peng , Yang Wei-Tao , Hao Wen-Juan , Jiang Bo
Published: May 2024

A new copper(ii)-catalyzed reaction of α-carbonyl-γ-alkynyl sulfoxonium ylides with sulfonyl hydrazides in the presence of tert-butyl hydroperoxide (TBHP) is reported, regio- and stereoselectively accessing (1Z,3Z)-1,3-bismethyleneisobenzofurans.
Impact of particle-scale models on CFD–DEM simulations of biomass pyrolysis
Authors: Kumar Balivada Kusum , Goyal Himanshu
Published: May 2024

A multiscale approach to simulate biomass pyrolysis.
Microscopic origin of tunable assembly forces in chiral active environments
Authors: Batton Clay H. , Rotskoff Grant M.
Published: May 2024

Chiral active matter generates strong assembly forces for passive solute particles and provides a novel route to form structures not found in equilibrium.
An information theoretic metric for measurement vulnerability to data integrity attacks on smart grids
Authors: Ye Xiuzhen , Esnaola Iñaki , Perlaza Samir M. , Harrison Robert F.
Published: May 2024

A novel metric that describes the vulnerability of the measurements in power systems to data integrity attacks is proposed. The new metric, coined vulnerability index (VuIx), leverages information theoretic measures to assess the attack effect in terms of the fundamental limits of the disruption and detection tradeoff. The result of computing the VuIx of the measurements in the system yields an ordering of their vulnerability based on the degree of exposure to data integrity attacks. This new framework is used to assess the measurement vulnerability of IEEE 9‐bus and 30‐bus test systems and it is observed that power injection measurements are significantly more vulnerable to data integrity attacks than power flow measurements. A detailed numerical evaluation of the VuIx values for IEEE test systems is provided.
Two‐stage stochastic‐robust planning of distributed energy storage systems with Archimedes optimisation algorithm
Authors: Yuan Tianmeng , Chen Zhuoxu , Hu Zechun
Published: May 2024

With the advancement of energy storage technologies, energy storage systems (ESSs) have emerged as a promising solution for distribution networks to mitigate the impact of intermittent and violate renewable energy sources. The optimal planning of distributed ESS is studied to minimise the investment and operational costs for the distribution system operator. To address the various uncertainties associated with load demand and distributed generation, the authors formulate the problem as a two‐stage stochastic‐robust optimisation problem. The proposed formulation implements various representative scenarios of actual operating conditions and constructs the robust uncertainty set to ensure feasibility under worst‐case scenarios. In view of the computational complexity of the proposed model, a solution approach combining the Archimedes optimisation algorithm and the global optimisation method is presented. By decomposing the investment and operation stages, the subproblems are relaxed into mixed integer second‐order cone programming models, which can be solved in parallel based on scenarios. Numerical studies are carried out on a 17‐node test system to demonstrate the validity of the proposed model and algorithm. In addition, a comparison between the proposed method and the genetic algorithm is performed, to illustrate its superiority in solving speed and solution optimality.
Forming off-center massive black hole binaries in dwarf galaxies through Jacobi capture
Authors: François Thibaut L. , Boily Christian M. , Freundlich Jonathan , Rozier Simon , Voggel Karina
Published: May 2024

It is well established that black holes reside in the central regions of virtually all types of known galaxies. Recent observational and numerical studies however challenge this picture, suggesting that intermediate-mass black holes in dwarf galaxies may be found on orbits far from the center. In particular, constant-density cores minimize orbital energy losses due to dynamical friction, and allow black holes to settle on stable off-center orbits. Using controlled simulations, we study the dynamics of off-center black holes in dwarf galaxies with such cores. We propose a new scenario to describe off-center mergers of massive black holes, starting with a Jacobi capture. We focus on initially circular and co-planar black hole orbits and explore a large parameter space of black hole masses and orbital parameters. We find that Jacobi captures are a complex and chaotic phenomenon that occurs in about 13% of cases in this simplified setup, and we quantify how the likelihood of capture depends on the simulation parameters. We note that this percentage is likely an upper limit of the general case. Nevertheless, we show that Jacobi captures in cored dwarf galaxies can facilitate the formation of off-center black hole binaries, and that this process is sufficiently common to have a substantial effect on black hole growth. While our setup only allows for temporary captures, we expect dissipative forces from baryons and post-Newtonian corrections to maintain the captures over time and to lead to the formation of stable binary systems. This motivates future studies of the effectiveness of such dissipative forces, within stripped nuclei or globular clusters, in forming stable bound systems.
The rise and fall of Silvergate Bank: lessons for prudential regulation of crypto-sector banking
Authors: Warren Mark
Published: May 2024

Silvergate Bank began to “wind down operations and voluntarily liquidate” its bank in March 2023. Whereas Silicon Valley Bank and Signature Bank would be shut down by the Federal Deposit Insurance Corporation in the following days, this “crypto-sector bank” was able to satisfy depositor withdrawals and enter into voluntary liquidation. This paper examines how Silvergate Bank managed its balance sheet in a manner that maintained liquidity and its ability to satisfy substantial and unpredictable outflows from depositor withdrawals by its “crypto-firm” clients. Its approach was consistent with the ethos of the Basel III liquidity requirements to which many banks—though not Silvergate Bank—are subject. Yet the Silvergate model went further by recognising the idiosyncratic depositor dynamics of “crypto-firms”. This paper argues that prudential regulation should apply this model to (i) any bank that sources a substantial proportion of its funding from “crypto-firm” clients, irrespective of that bank’s size, and (ii) all deposits related to crypto-asset market participants at all banks.
The relationship between knowledge accumulation and gender norms
Authors: Lapatinas Athanasios , Litina Anastasia , Zanaj Skerdilajda
Published: May 2024

Gender norms, encompassing social and cultural attitudes that dictate suitable behaviors for women and men, are pivotal in shaping societal dynamics. This paper explores the intricate relationship between knowledge accumulation, as reflected in a nation’s economic complexity, and its gender norms. Drawing on the revealed preferences of a substantial cohort, totaling 64,954 individuals from up to 49 countries, and their respective countries’ economic complexity indices, we uncover a non-trivial relationship. At lower levels of economic complexity, there exists an inverse correlation between less rigid gender norms and technological sophistication. This suggests that the initial stages of knowledge accumulation coincide with inflexible gender norms, particularly regarding women’s roles within households. However, as economic complexity surpasses a certain threshold, this correlation reverses. Further knowledge accumulation aligns with more adaptable gender norms, indicating a shift towards less rigidity, especially concerning women’s roles in the public sphere. These findings underline the connection between economic development and shifting gender norms. Notably, while economic complexity catalyzes a transition towards less rigid norms regarding women’s household roles at lower stages, it is only at a certain threshold that significant changes in norms pertaining to women’s public roles become evident. This study contributes to understanding the evolution of gender norms in the context of economic development. By shedding light on the intricate dynamics between knowledge accumulation and gender norms, it emphasizes the significance of considering socioeconomic factors in addressing gender norms. Findings have implications for policymakers and stakeholders offering valuable insights into the mechanisms driving societal change.
From vocation to profession: multiple identities of Chinese management academics
Authors: Liu Shubo , Huang Qiuli , Lv Mengna
Published: May 2024

The academic landscape in China has undergone a profound transformation, shifting from a spiritually rooted vocation to a model driven by managerial efficiency, catalyzed by market reforms that dismantled the traditional, centrally planned system. This seismic shift has forced scholars to adapt to a performance-oriented environment, leading to significant transformations in their professional identities. Contemporary literature, primarily centered on Western role-theory perspectives, often fails to capture the intricate cognitive dynamics that shape academic identities under the varied influence of power dimensions. This study addresses this gap by exploring how Chinese academics’ identities are constructed amidst a complex interplay of power dynamics, external changes, and internal motivations, moving beyond simplistic group-level categorizations. Employing an intersectional approach within a multidimensional organizational power framework, this research utilizes case study methods to probe deeply into the multiple identities of academics in the Business Management discipline across various Chinese higher education institutions. The study reveals a dynamic interplay among multiple power dimensions, including American research hegemony, industrialization of academic governance, self-regulation, and rebellion against ‘academic games’. These forces collectively shape distinct identity modules among Chinese academics: fanatic convert of American research, career survivor, diligent game player, and career retreater, each responding uniquely to the evolving academic pressures. This research significantly enhances our understanding of academic identity construction by extending beyond traditional role-based analyses to encompass a broader spectrum of cognitive processes. It highlights the nuanced intersectionality of academic identities, effectively integrating structuralist perspectives with personal agency. This comprehensive examination provides critical insights into the development of Management disciplines, university governance, and professional practices within the academic community in China.
Multi-class identification of tonal contrasts in Chokri using supervised machine learning algorithms
Authors: Gope Amalesh , Pal Anusuya , Tetseo Sekholu , Gogoi Tulika , J Joanna , Borah Dinkur
Published: May 2024

This study examines and explores the effectiveness of various Machine Learning Algorithms (MLAs) in identifying intricate tonal contrasts in Chokri (ISO 639-3), an under-documented and endangered Tibeto-Burman language of the Sino-Tibetan language family spoken in Nagaland, India. Seven different supervised MLAs, viz., [Logistic Regression (LR), Decision Tree (DT), Random Forest (RF), Support Vector Machine (SVM), K-Nearest Neighbors (KNN), Naive Bayes (NB)], and one neural network (NN)-based algorithms [Artificial Neural Network (ANN)] are implemented to explore five-way tonal contrasts in Chokri. Acoustic correlates of tonal contrasts, encompassing fundamental frequency fluctuations, viz., f0 height and f0 direction, are examined. Contrary to the prevailing notion of NN supremacy, this study underscores the impressive accuracy achieved by the RF. Additionally, it reveals that combining f0 height and directionality enhances tonal contrast recognition for female speakers, while f0 directionality alone suffices for male speakers. The findings demonstrate MLAs’ potential to attain accuracy rates of 84–87% for females and 95–97% for males, showcasing their applicability in deciphering the intricate tonal systems of Chokri. The proposed methodology can be extended to predict multi-class problems in diverse fields such as image processing, speech classification, medical diagnosis, computer vision, and social network analysis.
Happiness amidst the COVID-19 pandemic in Indonesia: exploring gender, residence type, and pandemic severity
Authors: Pattinasarany Indera Ratna Irawati
Published: May 2024

This study delves into the dynamics shaping happiness levels in Indonesia before and during the COVID-19 pandemic, specifically emphasizing gender and residence-type disparities. Using data from the 2017 and 2021 Happiness Level Measurement Survey, it offers insights into how different population segments were affected. The analysis employs a multilevel mixed-effects ordered logistic model, considering individuals nested within provinces, and measures pandemic severity using positive COVID-19 cases per 100,000 residents. This study evaluates pandemic-related happiness shifts using nationwide cross-sectional survey data from two timeframes. It derives substantial statistical strength from data involving 137,000+ respondents gathered through comprehensive face-to-face interviews. It mitigates recall bias by capturing happiness at two distinct time points, avoiding retrospective measures. The study examines and validates four research questions. First, higher COVID-19 cases in provinces correlate with lower happiness. Second, though women were happier than men, the pandemic reduced this gender-based gap. Third, urban residents were generally happier than rural residents, but the pandemic narrowed this difference. All the estimates exhibit statistical significance at the 1 percent level. Finally, while provincial poverty showed minimal happiness impact, a negative association between unequal per capita expenditure and happiness emerged, providing partial backing for investigating the role of macroeconomic conditions. This study reveals that the COVID-19 pandemic altered happiness dynamics in Indonesia, narrowing gender and residence-based gaps. It also emphasizes the role of socioeconomic factors, particularly unequal per capita expenditure, in influencing individual happiness, highlighting implications for targeted policy interventions.
Artificial intelligence and socioeconomic forces: transforming the landscape of religion
Authors: He Yugang
Published: May 2024

This research examines the influences of artificial intelligence and socioeconomic factors on religious freedom across 20 countries from 2000 to 2022. Employing a detailed model that integrates both specific effects related to individual countries and annual changes, our study offers an extensive empirical analysis of how artificial intelligence relates to religious freedom. The results indicate a notable negative impact of artificial intelligence on religious freedom. Furthermore, the study sheds light on key factors that affect religious freedom, uncovering a positive correlation with elements such as economic growth, political stability, and education levels. However, it was also observed that increased digitalization correlates negatively with religious freedom. These conclusions are reinforced by findings from the system-generalized method of moment estimation, which strongly support our initial results. Consequently, this study establishes that the relationship between artificial intelligence and religious freedom is intricate and shaped by a variety of socioeconomic factors. Our findings emphasize the necessity for thoughtful consideration of the broader societal impacts of artificial intelligence, especially regarding essential human rights like religious freedom.
Quantitative measurements of second-order nonlinear susceptibility with collinear reflective second harmonic generation
Authors: Zhao Xuan , Yan Li-geng , Zhang Wen-kai
Published: May 2024

Polarization-dependent second harmonic generation is a widely utilized technique for characterizing symmetry. However, in collinear reflective geometry, the essential beam-splitting device significantly influences both the polarization state of the fundamental and harmonic beams, thereby affecting the accuracy of the obtained second-order nonlinear susceptibility. Here, we propose a data correction method to solve this problem to obtain accurate second-order nonlinear susceptibility. The feasibility and generality of the method are demonstrated through theoretical and experimental validation.
Global existence and blowup of smooth solutions to the semilinear wave equations in FLRW spacetime
Authors: Wei Changhua , Yong Zikai
Published: May 2024

We are interested in the semilinear wave equations evolving in the expanding spacetimes with Friedmann–Lemaître–Robertson–Walker (FLRW) metric. By the weighted energy estimate, we show that when the nonlinearity depends on the time derivative of the unknown, the equation admits a global smooth solution if the spacetime is undergoing accelerated expansion. While the solution will blowup in the sense of some averaged quantity if the expanding rate is not fast enough. When the nonlinearity depends on the space derivatives of the unknown or the unknown itself, we can show that the solution will blowup in finite time even though the expanding rate is fast enough (accelerated expansion). Our results show that the semilinear wave equations in FLRW spacetimes have different properties from the famous Glassey and Strauss conjectures in flat or asymptotically flat spacetimes.
Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): Temperature effects and O-vacancy formation
Authors: Mocelim Mauricio , Santos Mylena N. , Bittencourt Albert F. B. , Lourenço Tuanan C. , Da Silva Juarez L. F.
Published: May 2024

We report a theoretical investigation of temperature, size, and composition effects on the structural, energetic, and electronic properties of the (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (NCs) for n = 10, 18. Furthermore, we investigated the single O vacancy formation energy as a function of the geometric location within the NC. Our calculations are based on the combination of force-field molecular dynamics (MD) simulations and density functional theory calculations. We identified a phase transition from disordered to ordered structures for all NCs via MD simulations and structural analysis, e.g., radius changes, radial distribution function, common neighbor analysis, etc. The transition is sharp for La36Ce36O126, La20Ce20O70, and Ce72O144 due to the crystalline domains in the core and less abrupt for Ce40O80, La40O60, and La72O108. As expected, radius changes are abrupt at the transition temperature, as are morphological differences between NCs located below and above the transition temperature. We found a strong dependence on the O vacancy formation energy (Evac) and its location within the NCs. For example, for La40O60, Evac decreases almost linearly as the distance from the geometric center increases; however, the same trend was not observed for Ce40O80, while there are large deviations from the linear trend for La20Ce20O70. Evac has smaller values for Ce40O80 and higher values for La40O60, that is, almost three times, while Evac has intermediate values for mixed oxides, as expected from weighted averages. Therefore, the mixture of one formula unit of La2O3 with two formula units of CeO2 has the effect of increasing the stability of CeO2 (binding energy), which increases the magnitude of the formation energy of the O vacancy.
MolDStruct: Modeling the dynamics and structure of matter exposed to ultrafast x-ray lasers with hybrid collisional-radiative/molecular dynamics
Authors: Dawod Ibrahim , Cardoch Sebastian , André Tomas , De Santis Emiliano , E Juncheng , Mancuso Adrian P. , Caleman Carl , Timneanu Nicusor
Published: May 2024

We describe a method to compute photon–matter interaction and atomic dynamics with x-ray lasers using a hybrid code based on classical molecular dynamics and collisional-radiative calculations. The forces between the atoms are dynamically determined based on changes to their electronic occupations and the formation of a free electron cloud created from the irradiation of photons in the x-ray spectrum. The rapid transition from neutral solid matter to dense plasma phase allows the use of screened potentials, reducing the number of non-bonded interactions. In combination with parallelization through domain decomposition, the hybrid code handles large-scale molecular dynamics and ionization. This method is applicable for large enough samples (solids, liquids, proteins, viruses, atomic clusters, and crystals) that, when exposed to an x-ray laser pulse, turn into a plasma in the first few femtoseconds of the interaction. We present four examples demonstrating the applicability of the method. We investigate the non-thermal heating and scattering of bulk water and damage-induced dynamics of a protein crystal using an x-ray pump–probe scheme. In both cases, we compare to the experimental data. For single particle imaging, we simulate the ultrafast dynamics of a methane cluster exposed to a femtosecond x-ray laser. In the context of coherent diffractive imaging, we study the fragmentation as given by an x-ray pump–probe setup to understand the evolution of radiation damage in the time range of hundreds of femtoseconds.
The dynamics of champagne cork popping revisited through high-speed schlieren imaging and computational fluid dynamics simulations
Authors: Fréreux J. N. , Tomasetti B. , Benidar A. , Liger-Belair G. , Himakar A. B. , Lakhan M. P. , Srikar R. P. , Nikhilesh S. V. , Gopalan J. , Rao S. M. V. , Georges R. , Lauzin C.
Published: May 2024

Cork popping represents a rich and complex fluid dynamics process, involving up to three phases (liquid, gas, and solid), three main chemical compounds (ethanol, water, CO2), and a moving cork gradually opening the bottle and blocking the fast progression of the expanding gas. In this work, we used high-speed, high-sensitivity schlieren imaging setups to provide a fresh perspective on this dynamical phenomenon. Our experimental results are systematically compared and interpreted on the basis of new computational fluid dynamics simulations. Our combined experimental and numerical works confirm the establishment of two supersonic expansions during cork popping from a champagne bottle.
Ion–surface interactions in plasma-facing material design
Authors: Sabiston Graeme , Wirz Richard E.
Published: May 2024

A multi-scale simulation framework for ion–solid interactions in plasma-exposed materials provides crucial insight into advancing fusion energy and space electric propulsion. Leveraging binary-collision approximation (BCA) simulations, the framework uniquely predicts sputter yields and analyzes material transport within volumetrically complex materials. This approach, grounded in the validated BCA code TRI3DYN, addresses key limitations in existing models by accurately capturing ion–solid interaction physics. A case study is presented, highlighting the framework’s ability to replicate experimental sputter yield results, underscoring its reliability and potential for designing durable materials in harsh plasma environments. Insights into sputtering transport phenomenology mark a significant advancement in material optimization for improved resilience in plasma-facing applications.
Study on the adaptive relationship between train nose lengths and variable-section tunnel parameters: Aiming at mitigating micro-pressure waves
Authors: Lu Yi-Bin , Wu Xiao-Mei , Wang Tian-Tian , Gong Yan-Feng , Zhou Jun-Chao , Chen Da-Wei , Li Heng-Kui , Zhang Lei , Shi Fang-Cheng , Wang Jia-Bin
Published: May 2024

Environmental problems caused by micro-pressure waves (MPWs) are increasingly prominent with increase in train speed. Considering different models of trains, which may have differences in nose lengths (Ln), and certain extreme terrains where it is unsuitable to construct the buffer hood outside the tunnel, this study numerically investigated the adaptive relationship between Ln and variable-section tunnel parameters [i.e., the length (L1) and area (S1) of the entrance expansion section] for minimizing the MPW. The results show that, as Ln rises from 5 to 13 m, the formation of the MPW peak is continuously delayed, and the peak value of the MPW decreases; while the optimal L1 remains at 20 m for different Ln. Additionally, the optimal S1 scarcely changes with the increase in Ln as well, between 151 and 156 m2, and its ratio to the section area of the main tunnel (70 m2) is approximately 2.2. The optimal parameters of the entrance expansion section play a universal role for trains with different Ln, which can alleviate the MPW amplitude with a value of 58% or higher. The findings can provide significant support for designing tunnels and tunnel hoods, focusing on alleviating acoustic noise.
Numerical analysis of a gas flow in a square cavity driven by spanwise lid motion on the basis of kinetic theory: Behavior of the gas near a sharp corner
Authors: Hattori Masanari
Published: May 2024

A gas flow in a square cavity driven by a lid sliding in the direction of its line of contact with the cavity wall is considered. The steady behavior of the gas is numerically investigated based on the linearized Bhatnagar–Gross–Krook kinetic equation and the diffuse reflection boundary condition. When one applies the Stokes equation and the no-slip boundary condition to the system considered here, the flow velocity becomes multivalued at the corner between the lid and the cavity wall, and the shear stress diverges at the corner inversely proportionally to the distance from there, which is known as the so-called corner singularity. In the present work, the behavior of the gas near the corner is examined based on numerical results obtained from the kinetic theory. Although the range of the flow velocity value in the kinetic solution is limited due to the significant velocity slip near the corner, the flow velocity is, nevertheless, multivalued at the corner. The shear stress varies inversely proportionally to the distance from the corner up to the position that is a few tens of mean free paths away from there. The increase in the stress is suppressed at positions closer to the corner and its magnitude remains bounded. Thus, the total forces acting on the lid and the side cavity walls are bounded as well. Due to the distinctive behavior of the stress near the corner, the resulting nondimensional total forces behave with an unconventional rate Kn ln Kn for small Knudsen numbers Kn.
Large-scale flow field super-resolution via local-global fusion convolutional neural networks
Authors: Zhou Xuxi , Jin Xiaowei , Laima Shujin , Li Hui
Published: May 2024

Particle image velocimetry (PIV) techniques have a limited field of view of the flow field and can only capture high-resolution flow fields in localized areas. To obtain a larger measurement range, multiple cameras must be used to capture the flow field simultaneously and then stitch the parts together. However, this method can be expensive. We propose the local-global fusion convolutional neural network (LGF-CNN) for reconstructing large-field flow fields with high spatial resolution based only on two flow data types: local small-field high spatial resolution wake velocity fields and global large-field low spatial resolution velocity fields. The core of the model consists of convolutional neural network (CNN) architecture to learn the mapping relationship between the small field of view with high spatial resolution and the large field of view with low spatial resolution. Using the effectively trained LGF-CNN model, we demonstrate its ability to reconstruct high-resolution velocity fields around the circular cylinder. The LGF-CNN is rigorously validated on a number of representative datasets, including simulated data for Reynolds numbers of 200 and 500, as well as experimental data for a Reynolds number of 3.3 × 104 with the steady jet at the rear stagnation point of the cylinder. The results demonstrate the ability of LGF-CNN to generate accurate velocity fields with high spatial resolution, including reliable detection of high-frequency components. The proposed method could reduce the number of cameras required for large-field, high spatial resolution PIV measurements, thereby reducing experimental costs.
Analysis of the aerodynamic performance of a hypersonic gliding missile with a deflected warhead
Authors: Zhang Zhao-Kang , Chen Shu-Sheng , Dong Yuan-Zhe , Geng Xi
Published: May 2024

In this study, we propose a scheme to control the deflection of the warhead based on the configuration of the hypersonic glide body (HGB) to solve the problems posed by its large control surface load and severe aerodynamic heat under hypersonic flight conditions. We conducted numerical simulations on the configurations of deflection of the warhead of an HGB analog under different flight modes as well as varying angles and directions of deflection. The results showed that once the warhead had been deflected, the overall configuration of the HGB analog still exhibited static longitudinal stability. An increase in the angle of deflection significantly reduced the lift-to-drag ratio of the configuration at large angles of attack. When the warhead was deflected upward, the configuration of the HGB analog exhibited static lateral instability, while it exhibited a high static lateral stability when the warhead was deflected downward.
A silica nanobean carrier utilizing lysosomal and mitochondrial autophagy to kill ovarian cancer cell
Authors: Tang Shi , Liu Qing , Song Mingcheng , Li Xiangshuai , Ji Degang , Yang Ying-Wei , Yu Huimei
Published: May 2024

The development of responsive and smart drug nanocarriers that defeat the tumor microenvironment that resists cancer therapy has attracted considerable attention in recent decades. Upgrades are sought to effectively increase the therapeutic efficacy of chemotherapy drugs and reduce damage to normal tissues. In this study, a new type of silica nano-particle carrier, dual-functionalized mesoporous silica nanobeans (DF-MSNB), is used to encapsulate the drug, doxorubicin (DOX), to form the DOX@DF-MSNB complex. The complex simultaneously releases drugs and tracks drug uptake by cells after the environmentally triggered release of the encapsulated drug and fluorophore. Upon sensing the high GSH level and low pH in the tumor microenvironment, the disulfide bond breaks in the linker between the drug and the carrier. An attached fluorescent group is activated, and the DOX drug is released from the carrier. Our results show that DOX@DF-MSNB co-localizes with mitochondria and lysosomes in A2780 cells, enabling DOX to subvert the cells’ mitochondrial function and activate macrophage and mitochondrial autophagy. The application of a mitochondrial autophagy inhibitor confirms that DOX@DF-MSNB inhibits tumor development by activating mitochondrial autophagy.
The star formation, dust, and abundance of galaxies with unWISE-CIB cross-correlations
Authors: Yan Ziang , Maniyar Abhishek S. , van Waerbeke Ludovic
Published: May 2024

The cosmic infrared background (CIB) is the accumulated infrared (IR) radiation mainly
from interstellar dust heated up by early stars. In this work, we measure the cross-correlation
between galaxies from the unWISE catalog and the CIB maps from the Planck satellite
to simultaneously constrain the cosmic star formation rate (SFR), dust spectral energy
distribution (SED), and the halo occupation distribution (HOD). The unWISE galaxy catalog
is divided into three tomographic bins centered at z ∼ 0.6, 1.1, 1.5, and the CIB maps are at
353, 545, and 857 GHz. We measure the cross-correlations between these galaxy samples and CIB maps
and get a 194σ signal within an angular scale 100<ℓ<2000, from which we constrain two
CIB halo models from previous literature and one new model. The SFR, SED, and HOD model parameters
are constrained consistently among the three models. Specifically, the dust temperature at z = 0
is constrained T
0 = 21.14+1.02
-1.34 K, which is slightly lower than T
0 = 24.4±1.9 K measured by the Planck collaboration. The halo mass that gives the most efficient star
formation is around 1011.79+0.73
-0.86

M
⊙. From the model parameters, combined
with the SFR density at z = 0 synthesized from multi-wavelength observations, we break the
degeneracy between SED and SFR and recover the cosmic star formation history that is consistent
with multi-wavelength surveys. We also constrain the graybody SED model in agreement with previous
measurements from infrared flux stacking. From the HOD constraints, we derive an increasing trend
of galaxy linear bias along redshifts that agrees with the results from cross- and
auto-correlation with unWISE galaxies. This study indicates the power of using CIB-galaxy
cross-correlation to study star formation, dust, and abundance of galaxies across cosmic time.
An optimization design for fiber-optic neutron detector based on 6LiF/ZnO:Ga and wavelength shifting fibers
Authors: Xiong Bangping , Wan Bo , Zhao Yang , Yang Daibo , Ge Xi , Sun Shangqing
Published: May 2024

The fiber-optic neutron detector consists principally of a
neutron-sensitive scintillator, optical fiber, and photomultiplier
tube. It has features such as small size, real-time online
measurement capability, and high resistance to electromagnetic
interference. This detector is excellent for neutron detection in
areas with limited space and strong electromagnetic
interference. However, its small size results in a comparatively low
neutron sensitivity. The goal of this study is to look into the
relationship between detector parameters and performance in order to
improve the detector design. The research begins with the
development of a detector model using Monte Carlo simulation
programs to investigate the relationship between the
6LiF/ZnO:Ga mass ratio, thickness, wavelength-shifting fiber
length, and detector performance. The 6LiF/ZnO:Ga mass ratio
was then used as the test parameter to create equivalent detector
samples for experimental validation. The results show that the
detector has the highest neutron sensitivity when the mass ratio of
6LiF/ZnO:Ga is 1:1. This pattern is consistent with
theoretical simulation results, indicating that the optimization
strategy for detector parameters is feasible. The results of this
work give a theoretical foundation for the development and practical
implementation of the fiber-optic neutron detector.
The Association Between Type of Insurance Plan, Out-of-Pocket Cost, and Adherence to Antihypertensive Medications in Medicare Supplement Insurance Enrollees
Authors: Zhang Donglan , Xu Jianing , Hall Daniel B , Chen Xianyan , Chen Ming , Divers Jasmin , Wei Jingkai , Rajbhandari-Thapa Janani , Wright Davene R , Arabadjian Milla , Young Henry N
Published: May 2024

BACKGROUND

Medicare supplement insurance, or Medigap, covers 21% of Medicare beneficiaries. Despite offsetting some out-of-pocket (OOP) expenses, remaining OOP costs may pose a barrier to medication adherence. This study aims to evaluate how OOP costs and insurance plan types influence medication adherence among beneficiaries covered by Medicare supplement plans.

METHODS

We conducted a retrospective analysis of the Merative MarketScan Medicare Supplement Database (2017–2019) in Medigap enrollees (≥65 years) with hypertension. The proportion of days covered (PDC) was a continuous measure of medication adherence and was also dichotomized (PDC ≥0.8) to quantify adequate adherence. Beta-binomial and logistic regression models were used to estimate associations between these outcomes and insurance plan type and log-transformed OOP costs, adjusting for patient characteristics.

RESULTS

Among 27,407 patients with hypertension, the average PDC was 0.68 ± 0.31; 47.5% achieved adequate adherence. A mean $1 higher in 30-day OOP costs were associated with a 0.06 (95% confidence intervals [CIs]: −0.09 to −0.03) lower probability of adequate adherence, or a 5% (95% CI: 4%–7%) decrease in PDC. Compared with comprehensive plan enrollees, the odds of adequate adherence were lower among those with point-of-service plans (odds ratio [OR]: 0.69, 95% CI: 0.62–0.77), but higher among those with preferred provider organization (PPO) plans (OR: 1.08, 95% CI: 1.01–1.15). Moreover, the association between OOP costs and PDC was significantly greater for PPO enrollees.

CONCLUSIONS

While Medicare supplement insurance alleviates some OOP costs, different insurance plans and remaining OOP costs influence medication adherence. Reducing patient cost-sharing may improve medication adherence.
The impact of sugammadex dosing and administration practices on potential cost savings for pharmacy departments
Authors: Linn Dustin D , Renew Johnathan R
Published: May 2024

Purpose

Neuromuscular blocking agents (NMBAs) are commonly used during surgery, and restoring neuromuscular function at the end of surgery is vital in preventing complications of residual paralysis. Recent guidelines from the American Society of Anesthesiology recommend using sugammadex over neostigmine; however, sugammadex is significantly more expensive than neostigmine and may increase drug expenditure for pharmacy departments. This review summarizes evidence evaluating sugammadex dose adjustments and the potential of these dose adjustments to lead to cost savings for pharmacy departments.

We found evidence suggesting that the manufacturer-recommended sugammadex dose may not be needed in many patients and that dosing based on an adjusted body weight or based on depth of neuromuscular blockade may lead to lower sugammadex usage. Combining sugammadex with neostigmine could also decrease the dose of sugammadex required. We have highlighted the importance of objective neuromuscular monitoring to guide sugammadex dosing and evaluation for residual neuromuscular blockade. Cost savings for pharmacy departments may be realized by these alternative dosing strategies and/or vial-splitting practices.

Conclusion

Implementing practices related to sugammadex vial splitting and dose adjustment based on body weight and depth of neuromuscular blockade shows potential benefits in terms of sugammadex cost savings.