bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating the Interaction Mechanisms of Aluminum Particles in Laser‐Induced Ignition Experiments
Authors: Luo Chao , Yi Zhicong , Liu Qijun , Liu Fusheng , Guo Wencan , Pei Hongbo , Li Xinghan 
Published: February 2025

ABSTRACTAluminum (Al) particles are integral to aerospace and defense technologies, yet the mechanisms governing their interactions are not fully elucidated. This research examines the influence of interparticle distance on the ignition and combustion characteristics of Al particle clusters under laser irradiation. By employing ultrasonic dispersion sample preparation and continuous laser irradiation, we isolated the effects of interparticle distance from other variables. As the ratio of interparticle distance to particle diameter escalates from 4 to 9, a concomitant decrease in ignition delay of Al particle clusters is observed, whereas the combustion intensity may experience an increment. Theoretical analyses indicate that interparticle distance significantly modulates the efficacy of laser heat absorption and convective heat transfer during the ignition phase. Consequently, it is inferred that the ignition of Al particle clusters deviates from being governed by the traditional diffusion‐controlled paradigm, which, instead, appears to dictate the combustion process of these clusters. A novel finding from our experiments is the robust correlation between AlO molecular emissions and laser signals, which is attributed to the decomposition of Al2O3 under conditions of extreme energy input. These findings can provide crucial scientific insights for the aluminized solid propellants and explosives.
Perforated Manganese(III) Oxide Microcubes for Enhancing Burn Rates of Ammonium Perchlorate–Based Composite Propellants
Authors: Saju Santra Merin , Thomas Justin Alex , Vargeese Anuj A. 
Published: February 2025

ABSTRACTTransition metal compounds are widely used in catalytic applications due to their ability to exhibit various oxidation states depending on the chemical environment. Their surface activity can be further tailored by controlling the morphology. In this study, single‐crystalline Mn2O3 microcubes (MMCs) with Swiss cheese‐like morphology were evaluated as burn‐rate enhancers for ammonium perchlorate (AP)‐based composite solid propellants (CSPs). The kinetic parameters of the catalysed AP decomposition were analysed using both model‐free (isoconversional) and model‐fitting methods. The addition of 4% MMCs reduced the activation energy of the AP decomposition and altered the reaction pathway, transforming the two‐stage decomposition into a single‐stage process. The integration of crystalline MMCs into CSPs significantly enhanced the burn rate, demonstrating the potential of the developed material as an effective propellant ingredient. The high surface area and abundance of exposed metal cations in the perforated Mn2O3 structure stabilized the AP decomposition products, accelerating the combustion reaction.
The Influence of Al12Mg17 Compound Concentration in High‐Energy Mixtures on Thermobaric Systems Characteristics
Authors: Jovanović Biljana , Novaković Nikola , Milošević Govedarović Sanja , Kurko Sandra , Stamenić Ljubisav , Grbović Novaković Jasmina , Elek Predrag 
Published: February 2025

ABSTRACTThe influence of the concentration of Al12Mg17 intermetallic compound in high‐energy mixtures (HEMs) on the performances of thermobaric (TB) systems is investigated. Thermobaric charges based on HEM pressed around the high explosive core were detonated in the open area. The pressure measurements of TB and trinitrotoluene reference charges were performed using eight pressure transducers placed around the horizontally positioned charge. A high‐speed camera and image processing technique were used to record a fireball evolution and quantify fireball characteristics. The highest values of overpressure peak and positive phase pressure impulse were obtained for HEM with 37 wt.% of Al12Mg17 content. The fireball image analysis shows satisfactory fireball surface area and duration time for HEM with 37 wt.% of Al12Mg17.
Low Solid‐Loaded Formulation Homogenization Using Dual‐Asymmetric Centrifugation
Authors: Thornby Jiselle , Lighty Aidan , O'Brien Holly , Brockman Samuel , Cabral Amanda , Rhoads Jeffrey , Beaudoin Stephen 
Published: February 2025

ABSTRACTDual‐asymmetric centrifugation (DAC) has emerged as an attractive processing technology across industries that process solid‐filled formulations, and it shows great potential to safely and rapidly combine formulation constituents. Legacy processing of such formulations often utilizes high‐shear bladed mixers. However, these mixers are prone to issues such as inhomogeneous mixing due to vessel dead spots, end‐of‐mix viscosity restrictions (requiring materials to be sufficiently inviscid for blades to move through the material), safety concerns arising from the impact and frictional insults among mixer components, and extended mix times. To bypass inherent drawbacks in bladed mixers, the present study has undertaken the development of a mixing protocol using a DAC mixer yielding the most repeatable and safe formulation homogenization of a binder comprised of a 9:1 mass ratio of cellulose acetate butyrate (CAB) to triacetin, with a balance of diethyl ketone (DEK) solvent, filled with 15 wt.% granulated sugar. Six mixing protocols were investigated to identify the protocol yielding the best result in terms of minimal heat generation, most uniform solids dispersion, and the most repeatable mixing evolution in terms of evolved torque, final mixture viscosity, and visual consistency during mixing. After assessing the viability of the protocols explored, a protocol was selected to guide future mixing, and an outlook for developing additional DAC mixing protocols for other materials was proposed. These DAC mixing protocol development principles could be applied to a broader range of formulated products, opening new horizons for future DAC mixing applications.
Unraveling the molecular grammar and the structural transitions underlying the fibrillation of a viral fibrillogenic domain
Authors: Gondelaud Frank , Leval Julien , Arora Lisha , Walimbe Anuja , Bignon Christophe , Ptchelkine Denis , Brocca Stefania , Mukhopadyay Samrat , Longhi Sonia 
Published: February 2025

AbstractHendra virus (HeV) is a biosafety level 4 human pathogen belonging to the Henipavirus genus within the Paramyxoviridae family. In HeV, the phosphoprotein‐encoding gene also drives the synthesis of the V and W proteins that are two major players in the host innate immune response evasion. These three proteins share a common intrinsically disordered N‐terminal domain (NTD) and have distinct C‐terminal domains. We recently reported the ability of a short region (i.e., PNT3), located within the shared NTD, to form fibrils. We subsequently identified a PNT3 motif (EYYY) critically involved in fibrillation and deciphered the contribution of each tyrosine to the process. Herein, we combined mutational studies with various biochemical and biophysical approaches to further investigate the molecular mechanisms underlying PNT3 fibrillation. The results show that (i) lysine residues play a critical role in driving fibrillation, (ii) hydrophobic residues affect the nucleation step, and (iii) charge distribution strongly affects the fibrillation propensities. Vibrational Raman spectroscopy data further validated the role of lysine residues in promoting fibrillation and enabled documenting the formation of cross‐β amyloid structures. Altogether, these results illuminate the molecular mechanisms involved in fibril formation and pave the way towards the rational design of inhibitors.
Evaluation of Interstitial Lung Disease Complications Caused by Biologic Agents Using a Spontaneous Adverse Drug Reaction Reporting Database
Authors: Minagi Ayu , Nawa Hideki , Goda Mitsuhiro , Niimura Takahiro , Miyata Koji , Hamano Hirofumi , Zamami Yoshito , Ishizawa Keisuke 
Published: February 2025

ABSTRACTInterstitial lung disease (ILD) is a clinically relevant adverse event associated with biologic agent use. However, the current incidence of ILD remains unclear as large‐scale risk assessments of biologic agents have not been conducted. The aim of this study was to clarify the association between biologic agent use and ILD development in clinical practice by detecting adverse event signals using a spontaneous adverse drug reaction database. The VigiBase database is used for spontaneous adverse event reporting. The analysis focused on nine biologics used to treat psoriasis, rheumatoid arthritis, and Crohn's disease. The safety of each biologic agent was evaluated using the information component signal detection method. There were 32,520,983 reports in VigiBase, of which 68,489 (0.21%) were for ILD. Signals were mainly detected for tumor necrosis factor‐α inhibitors when the information component for ILD caused by biologic agents was calculated. Comorbidity analysis in patients who developed ILD and analysis of the time from the start of treatment with each drug to ILD onset showed differences for each biologic agent. ILD is a serious adverse effect of biologic agents, and there are several cases in which a causal relationship with ILD development cannot be ruled out. The occurrence of interstitial ILD should be noted when using biologics, particularly TNF‐α inhibitors.
Influence of the flammable cloud geometry on the gas explosion effects
Authors: Daubech Jérôme , Hebrard Jérôme , Leprette Emmanuel 
Published: February 2025

AbstractIn the context of industrial large cloud explosions such as the Buncefield accident, it is commonly accepted that the flammable cloud spreads over a large area on the ground but has a limited height. This can, therefore, be considered as the limiting dimension of the cloud. In this work at a small scale, Leyer highlighted the influence of the limited height of the flammable cloud in the case of cylindrical cloud explosions. Without prejudging the combustion mechanisms, this paper aims to present the influence of this limited dimension of the flammable cloud on the flame dynamics to assess more precisely the overpressure distances of a UVCE by better determining the energy involved in the explosion. The analysis is based on comparing the flame position over time from the fast video films and the overpressure signals recorded in the flammable clouds. The explosions examined are methane and hydrogen‐free jets, methane jets interacting with the ground and rows of obstacles, and large propane clouds obstructed by rows of tree trunks.
Development of a Joint Tumor Size–Overall Survival Modeling and Simulation Framework Supporting Oncology Development Decision‐Making
Authors: Struemper Herbert , Rathi Chetan , Muliaditan Morris , Goulooze Sebastiaan C. , Franzese Richard C. , Mantero Alejandro , Melhem Murad , Post Teun M. , Visser Sandra A. G. 
Published: February 2025

ABSTRACTTumor size–overall survival (TS‐OS) models can support decision‐making in oncology drug development by predicting long‐term OS based on TS data from early data cuts and baseline patient factors. The current work describes the development of a TS‐OS framework capable of predicting OS across a variety of treatment modalities and mechanisms of action in patients with non‐small cell lung cancer from seven clinical studies. The presented framework jointly models TS with a bi‐exponential Stein model and OS with an accelerated failure time log‐normal survival model. In the corresponding link function between TS and OS, the most significant predictor of OS was the tumor growth rate (kg), applied via an Emax function. Time to tumor growth and baseline TS were additional TS predictors informing OS. Albumin, total protein, and neutrophil‐to‐lymphocyte ratio were selected from the tested baseline factors as the most significant predictors of OS. Significant baseline covariates for the TS model included number of target lesions on baseline TS, tumor PD‐L1 expression on tumor shrinkage rate, and lactate dehydrogenase levels on kg. The TS‐OS framework model adequately describes the OS distributions within this specific set of treatment modalities—chemotherapies, immuno‐oncology treatments, and combinations thereof—using a single treatment‐independent link function, supporting the use of the framework to support evaluation and design of future studies. Our findings contribute to a body of literature exploring and qualifying TS‐OS modeling as a methodology capable of supporting and accelerating oncology drug development.
Tutorial on Conditional Simulations With a Tumor Size‐Overall Survival Model to Support Oncology Drug Development
Authors: Goulooze Sebastiaan C. , Muliaditan Morris , Franzese Richard C. , Mantero Alejandro , Visser Sandra A. G. , Melhem Murad , Post Teun M. , Rathi Chetan , Struemper Herbert 
Published: February 2025

ABSTRACTThe gold standard for regulatory approval in oncology is overall survival (OS). Because OS data are initially limited, early drug development decisions are often based on early efficacy endpoints, such as objective response rate and progression‐free survival. Tumor size (TS)‐OS models provide a framework to support decision‐making on potential late‐stage success based on early readouts, through leveraging TS data with limited follow‐up and treatment‐agnostic TS‐OS link functions, to predict longer‐term OS. Conditional simulations (also known as Bayesian forecasting) with TS‐OS models can be used to simulate long‐term OS outcomes for an ongoing study, conditional on the available TS and OS data at interim data cuts of the same study. This tutorial provides a comprehensive overview of the steps involved in using such conditional simulations to support better informed drug development decisions in oncology. The tutorial covers the selection of the TS‐OS framework model; applying the TS‐OS model to the interim data; performing conditional simulations; generating relevant output; as well as correct interpretation and communication of the output for decision making.
Novel Fault Diagnosis Method for Rolling Bearing Based on Voiceprint Recognition With FasterNet‐CAM
Authors: Puzhou Wang , Yanghui Lin , Yejun Li , Yin Li , Yingkui Gu 
Published: February 2025

ABSTRACTContact measuring tools are not suitable in some specific working environments, such as high temperature or chemical metallurgical equipment, when non‐contact sensors should be considered. In this study, a rolling bearing fault diagnosis method based on voiceprint recognition is proposed. The original signal is converted into a Mel‐spectrum that can characterize the voiceprint characteristics which based on the features of human hearing, the idea of partial convolution is used for further feature extraction, and then input into the enhanced FasterNet network for classification. The Group‐CAM is integrated with the FasterNet network to confirm the significant portions of the voiceprint associated with the decision, thereby conforming the validity of the model's judgment throughout the recognition process. The experimental results show that the proposed method has an accuracy of 99.4%, a reasoning time of 4.48 s, and a throughput of 223.3 fps after iteration, which is optimal in the compared experiment, indicating that the model meets the lightweight requirement and can identify the acoustic signals of faulty bearings effectively. The method also intuitively highlights the key parts of the acoustic signals, which ensures that the decision‐making process of the model is transparent and trustworthy and enhances the interpretability and reliability of the diagnostic process.
Investigating the nature of soil carbohydrates and amino compounds with liquid chromatography
Authors: Chantigny Martin H. , Olk Daniel C. , Angers Denis A. 
Published: February 2025

AbstractCarbohydrates, amino acids, and amino sugars are constituents of soil organic matter (SOM) that are involved in the dynamics and transformation of soil carbon and nitrogen. Moreover, their quantification can shed light on either their plant or microbial origin. Various methods exist to quantify and characterize soil carbohydrates, amino sugars, and amino acids. Selection of a method often balances the goals of rapid high throughput of simpler methods versus greater accuracy of more laborious methods. Here we emphasize chromatographic approaches when describing updated methodologies to extract and purify soil carbohydrates, amino sugars, and amino acids. We recommend hot acid hydrolyses to extract all three classes of compounds, with specific acid types depending on the targeted molecules. An efficient analytical approach for carbohydrates and amino acids is anion chromatographic separation coupled with pulsed amperometric detection. Pulsed amperometry is an especially precise mode of detection that does not involve complex derivatization steps. For analysis of amino sugars, we recommend separation by high‐performance liquid chromatography in combination with manual derivatization and detection by fluorescence. This approach was proven robust for field studies and avoids the tedious derivatization steps required for analysis by gas chromatography. A case study illustrates how the quantities and relative proportions of these compounds can shed light on the processes driving SOM responses to management in different soil types.
Sustainable Development as A Win–Win Development: A Hong Kong Empirical Study of the Tai Kwun Heritage Project
Authors: Chau K. W. , Da Huo Derek , Davies Stephen N. G. , Lorne Frank T. , Lai Lawrence W. C. 
Published: February 2025

ABSTRACTThis empirical study of the value‐enhancing effects of a new innovative hub for art, culture, and heritage experiences (arts hub) reusing the heritage buildings of an old prison, an ex‐police station cum detention centre called “Tai Kwun” (Big Station), on neighboring residential properties, treats sustainable development as a developmental process to achieve a “win–win” production of two originally mutually exclusive environmental goods by transforming negative externalities into positive ones, as encapsulated in Yu's model. The study demonstrates the win–win idea from a neo‐institutional economic perspective. The empirical results of a regression analysis, based on a total of 1541 sets of transaction records of residential units in the vicinity of Tai Kwun transacted between January 1993 to December 2023, showed that the hub was a win–win solution for heritage conservation and residential development.
A Double Machine Learning Approach for the Evaluation of COVID‐19 Vaccine Effectiveness Under the Test‐Negative Design: Analysis of Québec Administrative Data
Authors: Jiang Cong , Talbot Denis , Carazo Sara , Schnitzer Mireille E. 
Published: February 2025

ABSTRACTThe test‐negative design (TND), which is routinely used for monitoring seasonal flu vaccine effectiveness (VE), has recently become integral to COVID‐19 vaccine surveillance, notably in Québec, Canada. Some studies have addressed the identifiability and estimation of causal parameters under the TND, but efficiency bounds for nonparametric estimators of the target parameter under the unconfoundedness assumption have not yet been investigated. Motivated by the goal of improving adjustment for measured confounders when estimating COVID‐19 VE among community‐dwelling people aged years in Québec, we propose a one‐step doubly robust and locally efficient estimator called TNDDR (TND doubly robust), which utilizes cross‐fitting (sample splitting) and can incorporate machine learning techniques to estimate the nuisance functions and thus improve control for measured confounders. We derive the efficient influence function (EIF) for the marginal expectation of the outcome under a vaccination intervention, explore the von Mises expansion, and establish the conditions for ‐consistency, asymptotic normality, and double robustness of TNDDR. The proposed estimator is supported by both theoretical and empirical justifications.
Modeling the Restricted Mean Survival Time Using Pseudo‐Value Random Forests
Authors: Schenk Alina , Basten Vanessa , Schmid Matthias 
Published: February 2025

ABSTRACTThe restricted mean survival time (RMST) has become a popular measure to summarize event times in longitudinal studies. Defined as the area under the survival function up to a time horizon , the RMST can be interpreted as the life expectancy within the time interval . In addition to its straightforward interpretation, the RMST allows for the definition of valid estimands for the causal analysis of treatment contrasts in medical studies. In this work, we introduce a non‐parametric approach to model the RMST conditional on a set of baseline variables (including, e.g., treatment variables and confounders). Our method is based on a direct modeling strategy for the RMST, using leave‐one‐out jackknife pseudo‐values within a random forest regression framework. In this way, it can be employed to obtain precise estimates of both patient‐specific RMST values and confounder‐adjusted treatment contrasts. Since our method (termed “pseudo‐value random forest”, PVRF) is model‐free, RMST estimates are not affected by restrictive assumptions like the proportional hazards assumption. Particularly, PVRF offers a high flexibility in detecting relevant covariate effects from higher‐dimensional data, thereby expanding the range of existing pseudo‐value modeling techniques for RMST estimation. We investigate the properties of our method using simulations and illustrate its use by an application to data from the SUCCESS‐A breast cancer trial. Our numerical experiments demonstrate that PVRF yields accurate estimates of both patient‐specific RMST values and RMST‐based treatment contrasts.
In Vitro and In Silico Evaluation of Anticancer Potential and Apoptotic Activity of Benzimidazole‐Based Compounds
Authors: Messaoudi Sabri , Alminderej Fahad M. , Almuhaylan Hind R. , Alosaimi Abdulelah H. , A. Almahmoud Suliman , Alfaifi Mohammad Y. , Elbehairi Serag Eldin I. , Shati Ali A. , Mohammed Hamdoon A. , Aroua Lotfi M. 
Published: February 2025

AbstractIn this study, two series of benzimidazole derivatives were evaluated for their anticancer activity. The first series of benzimidazole–urea was achieved from the condensation of benzimidazole aniline 1 with a variety of isocyanates. The second series was elaborated from the cycloaddition reaction of benzophenone diamine with appropriate arylaldehydes. The in vitro cytotoxic and antiproliferative properties of various benzimidazole derivatives were assessed for three specific cancer cell lines: MCF‐7, HCT116, and HePG2. Particularly, the results revealed that compounds 6b and 6c exhibited excellent activity against the three cancer cell lines, MCF‐7, HePG2, and HCT‐116, with IC50 ranging from 0.3 ± 0.01 to 0.1 ± 0.02 µg/mL for MCF‐7, 0.5 ± 0.1 to 0.3 ± 0.1 µg/mL for HePG2, and 0.2 ± 0.01 to 0.06 ± 0.001 µg/mL for HCT‐116. The existence of the hydroxyl and bromine moiety at the para position, the appropriate bromine radius (r(Br) = 1.83 Å) for derivative 6b, and the hydroxylated group (r(O) = 1.52 Å for oxygen) for compound 6c were taken into consideration when interpreting this finding. The docking analysis demonstrates that compounds 3e, 6b, 6c, and 6e interact with key residues in the catalytic region of caspase 3, a crucial enzyme involved in apoptosis.