bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation on the Effect of Energy Release Rate of Aluminized Explosive on the Damage of Underwater Targets
Authors: Zhou Zheng‐qing , Liu Yu‐zhe , Liao Wei‐liang , Yang Gui‐li , Jiang Hui‐ling , Sang Jin‐guo , Tian Wei , Chai Lu‐jia 
Published: October 2024

AbstractAs a type of high‐energy explosive, aluminized explosives are extensively used in underwater weapons and ammunition. This study aims to investigate the energy release rate on the damage of underwater targets caused by aluminized explosives (RDX/Al). The ship was selected as a target, and numerical simulations were conducted using AUTODYN software to study the energy release rate corresponding to different particle sizes of aluminum powder (25 nm −300 μm) in the underwater explosion process of RDX/Al, as well as its destructive effect on targets in the water. The research quantitatively evaluates the whole ship′s destruction results, including longitudinal bending deformations and crevasse. In addition, typical cabins were selected in this study to assess the local damage effects by analyzing stress, shock wave pressure, displacement, and acceleration shock response. Based on the damage results, it was revealed that RDX/Al with aluminum powder particle sizes ranging from 54 nm to 145 nm exhibited the most optimal damaging effects on ships after underwater explosions. These findings provide a basis for improving the destructive power of aluminized explosives against underwater targets, simultaneously, they can be utilized by ship designers to guide research and development of improved protective measures, aiming to reduce the vulnerability of ships to explosive attacks.
Improving Friction Sensitivity of Molecular Perovskite Energetic Material DAP‐4 by Polymer Binders Coated
Authors: An Erhai , Fan Zijun , Tan Yingxin , Jia Kanghui , Qin Qingfeng , Zhao Haixia , Han Kehua , Deng Peng , Cao Xiong 
Published: October 2024

AbstractThe high detonation and thermostability of the molecular perovskite energetic material DAP‐4 attracted a lot of interest, but its high friction sensitivity hindered its applicability. It is critical to minimize the friction sensitivity of DAP‐4 for future applications. DAP‐4‐based composites with core‐shell structures coated by polymer binders were devised and manufactured in this study. DAP‐4 was discovered to be polymer binder compatible, and the thermal breakdown temperature remained constant at 380°C. The friction sensitivity of DAP‐4‐based core‐shell composites increased from 36 N (raw DAP‐4) to 60 N (DAP‐4@Estane‐5703, DAP‐4@F2602, and DAP‐4@F2311) when 10% polymer binders were added as shell‐structured layers. Furthermore, their theoretical detonation performance was calculated, and each sample demonstrated superior performance. Among them, the theoretical detonation velocity of DAP‐4@F2602 reached 8081 m/s, and the heat of detonation was 5.118 kJ/kg. This provided proof‐of‐concept work for increasing the mechanical safety of molecular perovskite energetic materials.
Prediction Model for Coformer Screening of Energetic Eutectics Based on Flory‐Huggins Interaction Parameter
Authors: Chen Lingyuan , You Ting , Liu Yingzhe , Duan Xiaohui 
Published: October 2024

AbstractBased on intermolecular interactions, Flory‐Huggins interaction parameter χAB>0 was presented as a prediction model to screen the coformer of energetic eutectics. To evaluate the predictive accuracy of this model, 80 energetic eutectics were collected from literatures. The molecular structures were optimized by computationally cheap molecular mechanics and high precision dispersion‐corrected density functional, respectively. Then the weighted Monte Carlo method was used to calculate the mixing energy ΔEmix of the binary system and thus derive the dimensionless χAB. The results show that the prediction accuracy is up to 85% based on M06‐2X‐D3/6‐311+G (d, p) optimization geometry and RESP charge, much greater than 45% of molecular mechanics method. Furthermore, size/shape mismatch between eutectic molecules was considered by shape index and molecular volume to enrich the prediction model. Based on this prediction model, a new energetic eutectic MTNP‐TNT was discovered, whose χAB value is 3.376 obtained by M06‐2X‐D3/6‐311+G (d, p) method. Experimentally, the classical “V” phase diagram drawn from the differential scanning calorimetry (DSC) data also suggests the MTNP‐TNT eutectic with eutectic temperature of 54.41°C at the molar ratio of 51.50: 48.50. Theoretical and experimental results successfully validate the χAB>0 prediction model for screening the coformers of energetic eutectics. This work opens a way for the crystal engineering of energetic eutectic solid forms with attractive physicochemical properties using a computational approach.
Farmers' perception, knowledge, and control attitudes of rodents infesting cereal growing areas in Morocco
Authors: Assidi Meryem , El Hajjaji Souad , Laasli Salah‐Eddine , Akki Rachid , Iraqi Driss , Khayi Slimane , Lahlali Rachid , Dababat Abdelfattah A. , Daliakopoulos Ioannis , Mokrini Fouad 
Published: October 2024

AbstractBACKGROUNDRodent pests threaten agricultural cropping systems, impacting food security and small‐holder farmers' income in cereal‐growing areas.RESULTSThis study investigated knowledge, attitude, and practices (KAPs) toward rodents infesting Moroccan cereal crops through a survey of 100 farmers in two regions (Rabat‐Sale‐Kenitra and Fes‐Meknes). A constructive questionnaire about all rodent aspects was created and distributed to the farmers. Rodent infestation is perceived in most fields (80%), with Mus musculus (28%) and Rattus rattus (26%) being the most prevalent species. Farmers perceived rodents negatively (> 90%), considering them as a major threat. Most of the control attitudes against rodent infestation were positive when continuously established and promoted. The farmer profile was shown to influence rodent knowledge and control attitude. Younger, educated, and experienced farmers understood rodent damage trends better and adopted environmental‐friendly management practices, while older, inexperienced respondents preferred to use rodenticides instead.CONCLUSIONThe study revealed novel insights into rodent problems in Moroccan cereal fields and urged the need for ecologically‐based rodent management (EBRM) practices. © 2024 Society of Chemical Industry.
Physiologically based pharmacokinetic modeling of long‐acting extended‐release naltrexone in pregnant women with opioid use disorder
Authors: Shenkoya Babajide , Gopalakrishnan Mathangi , Eke Ahizechukwu C. 
Published: October 2024

AbstractOpioid use disorders (OUD) are a major issue in the U.S. Current treatments for pregnant women, like methadone and buprenorphine require daily dosing and have adverse effects. Monthly injectable naltrexone (XR‐NTX) mitigates these adverse effects but is not recommended during pregnancy due to limited pharmacokinetic and safety data. This study developed a physiologically based pharmacokinetic (PBPK) model to describe XR‐NTX pharmacokinetics during pregnancy, and to predict dosing recommendations. Model predictions were successfully validated with observed data. Maternal plasma XR‐NTX profiles were simulated for 400 non‐pregnant virtual females at the approved dose of 380 mg, then randomized to continue with either 380, 285, 190, or 95 mg during pregnancy. The non‐pregnant virtual females had a mean predicted Cmax, AUC0‐7days, and AUC0‐28days of 23.3 ng/mL, 142 ng·d/mL, and 148 ng·d/mL, respectively. Maternal XR‐NTX exposure (AUC0‐28days) were predicted to increase by 1.37, 1.43, and 1.72 times during the first, second, and third trimester of pregnancy. However, the fetal‐to‐maternal exposure (AUC0‐28days) was lower in the first (15%), second (7%), and third (9%) trimesters. A dose of 285 mg of XR‐NTX in pregnancy during the first/second trimester and dose of 190 mg in the third trimester were predicted to provide maternal exposures that were comparable to non‐pregnant levels at the standard dose. This study provides crucial insights into XR‐NTX pharmacokinetics and proposes a dosing strategy during pregnancy, potentially aiding further clinical investigations and decision making regarding XR‐NTX use during pregnancy.
Identification of plant soil water and soil aeration corequisites: A management tool
Authors: Pragg Beaulah , Lakshani M. M. T. , Deepagoda T. K. K. Chamindu , Cameron Keith , Di Hong , Clough Timothy J. , Carrick Sam , Elberling Bo , Smits K. 
Published: October 2024

AbstractPlant‐available soil‐water and adequate soil aeration within the root zone are essential corequisites for successful plant growth. Characterization of these two requirements for plant growth is generally done by independent measurements of water and air phase properties and functions in soil, with limited emphasis on their combined effect. This study investigated soil‐water characteristic (SWC) measurements in vadose soil profiles (up to 117‐cm depth) in six pasture soils to examine the combined behavior of soil‐water and diffusion‐controlled aeration within the root zone. The soil moisture measurements were made over matric potentials ranging from −1 to −1500 kPa using tension table and pressure plate apparatus. The van Genuchten model was used to parameterize the measured SWC curve, while the Millington–Quick model was used to derive soil‐gas diffusivity from measured soil physical properties. Based on two simple indices, derived to represent plant‐available soil‐water and soil aeration status at a given moisture content, we propose an assessment matrix, which illustrates how a soil satisfies the corequisites for successful plant growth, as it drains to different matric potentials upon irrigation. Results show a pronounced effect of soil texture and, to a lesser extent, soil structure on satisfying these corequisites. With the aid of the assessment matrix, we observed that loam, sandy loam textures exhibited a good overall performance, while sand, clay loam, and clay soils struggled to meet these corequisites during drainage.
A Complex Meta‐Regression Model to Identify Effective Features of Interventions From Multi‐Arm, Multi‐Follow‐Up Trials
Authors: Davies Annabel L. , Higgins Julian P. T. 
Published: October 2024

ABSTRACTNetwork meta‐analysis (NMA) combines evidence from multiple trials to compare the effectiveness of a set of interventions. In many areas of research, interventions are often complex, made up of multiple components or features. This makes it difficult to define a common set of interventions on which to perform the analysis. One approach to this problem is component network meta‐analysis (CNMA) which uses a meta‐regression framework to define each intervention as a subset of components whose individual effects combine additively. In this article, we are motivated by a systematic review of complex interventions to prevent obesity in children. Due to considerable heterogeneity across the trials, these interventions cannot be expressed as a subset of components but instead are coded against a framework of characteristic features. To analyse these data, we develop a bespoke CNMA‐inspired model that allows us to identify the most important features of interventions. We define a meta‐regression model with covariates on three levels: intervention, study, and follow‐up time, as well as flexible interaction terms. By specifying different regression structures for trials with and without a control arm, we relax the assumption from previous CNMA models that a control arm is the absence of intervention components. Furthermore, we derive a correlation structure that accounts for trials with multiple intervention arms and multiple follow‐up times. Although, our model was developed for the specifics of the obesity data set, it has wider applicability to any set of complex interventions that can be coded according to a set of shared features.
Synthesis of New Imidazolo‐Benzenesulfonamide Linked 1,2,3‐Triazoles as Potent Antibacterial and Antibiofilm Agents
Authors: Ramu Nagavelli , Palabindela Rambabu , Kapavarapu Ravikumar , Narsimha Sirassu 
Published: October 2024

AbstractIn search of better antibacterial and antibiofilm agents, this report presents a series of novel 1,2,3‐triazole‐imidazole‐benzenesulfonamide derivatives that were synthesized and evaluated for their antibacterial and antibiofilm activity in vitro. Antibacterial activity against three Gram‐positive bacterial strains, B. subtilis, S. aureus, and S. epidermidis, was evaluated. Among all the tested compounds, 4‐methyl‐N‐(1‐methyl‐1H‐imidazol‐2‐yl)‐N‐((1‐(4‐(trifluoromethyl)phenyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)benzenesulfonamide and N‐((1‐(3,5‐difluorophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)‐4‐methyl‐N‐(1‐methyl‐1H‐imidazol‐2‐yl)benzenesulfonamide exhibited potent antibacterial activity against S. aureus and B. subtilis bacterial strains. Biofilm profiles for the potent compounds and it was observed from the results that the above two active compounds displayed promising biofilm inhibition against B. subtilis and S. aureus, with MIC values ranging between 2.19 ± 0.37 and 3.38 ± 0.35 µg/mL. Furthermore, potent compounds screened for their in silico molecular docking studies against penicillin‐binding protein and compound N‐((1‐(3,5‐dichlorophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methyl)‐4‐methyl‐N‐(1‐methyl‐1H‐imidazol‐2‐yl)benzenesulfonamide show highest binding energy as compared to the standard and remaining compounds.
Unraveling the Fundamentals of Axial Coordination FeN4+1 Sites Regulating the Peroxymonosulfate Activation for Fenton‐Like Activity
Authors: Jin Sijia , Tan Wenxian , Tang Xiaofeng , Li Mengxuan , Yu Xinyi , Zhang Haiyan , Song Shuang , Zeng Tao 
Published: October 2024

AbstractPrecise modulation of the axial coordination microenvironment in single‐atom catalysts (SACs) to enhance peroxymonosulfate (PMS) activation represents a promising yet underexplored approach. This study introduces a pyrolysis‐free strategy to fabricate SACs with well‐defined axial‐FeN4+1 coordination structures. By incorporating additional out‐of‐plane axial nitrogen into well‐defined FeN4 active sites within a planar, fully conjugated polyphthalocyanine framework, FeN4+1 configurations are developed that significantly enhance PMS activation. The axial‐FeN4+1 catalyst excelled in activating PMS, with a high bisphenol A (BPA) degradation rate of 2.256 min−1, surpassing planar‐FeN4/PMS systems by 6.8 times. Theoretical calculations revealed that the axial coordination between N and the Fe sites forms an optimized axial FeN4+1 structure, disrupting the electron distribution symmetry of Fe and optimizing the electron distribution of the Fe 3d orbital (increasing the d‐band center from −1.231 to −0.432 eV). Consequently, this led to an enhanced perpendicular adsorption energy of PMS from −1.79 to −1.82 eV and reduced energy barriers for the formation of the key reaction intermediate (O*) that generates 1O2. This study provides new insights into PMS activation through the axial coordinated engineering of well‐defined SACs in water purification processes.
Structural Modifications due to Bi‐Doping in MAPbBr3 Single Crystals and Their Impact on Electronic Transport and Stability
Authors: Youn Sarah Su‐O , Kim Gee Yeong , Jo William 
Published: October 2024

AbstractDoping strategy in lead halide perovskites is essential to enhance its optoelectrical properties and expand the potential applications. In this work, the mechanisms, for how dopants affect the overall structural, optical, electrical, and chemical properties and stability of lead halide perovskite materials, are investigated. This is done by specifically considering various bismuth (Bi) doping concentrations in MAPbBr3 single crystals grown using the inverse temperature crystallization method. The resultant doped single crystals exhibit a saturation point when Bi concentration exceeds 0.063% which is considered an optimum doping point. The highest thermal stability is also achieved at this doping concentration among the doped single crystals. This study clearly identifies how Bi doping affects the properties of MAPbBr3 and extends to consider stability, which has not been fully considered for MA‐based perovskites previously. This will provide a clear understanding of evaluating doped perovskite materials for enhanced material properties, device performance, and stability.
The effect of auriculotherapy on anxiety in older adult candidates for coronary angiography: A randomized controlled trial
Authors: Mortazavi Hamed , Zeinali Najmeh , Alesheikh Peiman , Shahri Bahram , Armat Mohammad Reza , Akbari Hadi 
Published: October 2024

AbstractIntroductionCoronary angiography is an effective but anxiety‐provoking procedure in the diagnosis and treatment of many cardiovascular diseases. Anxiety could complicate cardiovascular conditions of older adults and be detrimental to treatment procedures. The current study aimed to examine the effect of auriculotherapy on the anxiety of older adult candidates for coronary angiography.MethodThe study was a randomized controlled trial with a pretest–posttest design. The sample consisted of 94 male and female older adults that were randomly assigned to three groups: the auriculotherapy group with magnetized pellets, the auriculotherapy group with nonmagnetized pellets, and the control group. The collected data were analyzed using analysis of covariance.ResultsThe results showed that auriculotherapy either with magnetized or nonmagnetized pellets would lead to a statistically significant reduction in state and trait anxiety of coronary angiography candidates.ConclusionAuriculotherapy could be considered an adjunct or stand‐alone nonpharmacological method for lowering anxiety before coronary angiography in older adults.
Artificial intelligence in assessing cardiovascular diseases and risk factors via retinal fundus images: A review of the last decade
Authors: Abdollahi Mirsaeed , Jafarizadeh Ali , Ghafouri‐Asbagh Amirhosein , Sobhi Navid , Pourmoghtader Keysan , Pedrammehr Siamak , Asadi Houshyar , Tan Ru‐San , Alizadehsani Roohallah , Acharya U. Rajendra 
Published: October 2024

AbstractCardiovascular diseases (CVDs) are the leading cause of death globally. The use of artificial intelligence (AI) methods—in particular, deep learning (DL)—has been on the rise lately for the analysis of different CVD‐related topics. The use of fundus images and optical coherence tomography angiography (OCTA) in the diagnosis of retinal diseases has also been extensively studied. To better understand heart function and anticipate changes based on microvascular characteristics and function, researchers are currently exploring the integration of AI with noninvasive retinal scanning. There is great potential to reduce the number of cardiovascular events and the financial strain on healthcare systems by utilizing AI‐assisted early detection and prediction of cardiovascular diseases on a large scale. A comprehensive search was conducted across various databases, including PubMed, Medline, Google Scholar, Scopus, Web of Sciences, IEEE Xplore, and ACM Digital Library, using specific keywords related to cardiovascular diseases and AI. The study included 87 English‐language publications selected for relevance, and additional references were considered. This article provides an overview of the recent developments and difficulties in using AI and retinal imaging to diagnose cardiovascular diseases. It provides insights for further exploration in this field. Researchers are trying to develop precise disease prognosis patterns in response to the aging population and the growing global burden of CVD. AI and DL are revolutionizing healthcare by potentially diagnosing multiple CVDs from a single retinal image. However, swifter adoption of these technologies in healthcare systems is required.This article is categorized under:
Application Areas > Health Care
Technologies > Artificial Intelligence
Photoelectrochemical Response of Tin Iodide Phosphide (SnIP) Composites with MoSe2, MoS2, and h‐BN
Authors: Degg Annabelle , Vosseler Kathrin , Kumar Navneet , Chaulagain Narendra , Pielmeier Markus R. P. , Nilges Tom , Shankar Karthik 
Published: October 2024

AbstractFor a future world fuelled by green energy it is invaluable to develop, test and maximise the catalytic efficiency of new effective water‐splitting materials. In this paper, we further explore the catalytic activity of double‐helical tin iodide phosphide (SnIP), as it features bandgaps in the ideal region for this process. We found that its photoelectrochemical response can be multiplied by forming composites of SnIP with selected 2D materials, focusing on hexagonal boron nitride and the transition metal dichalcogenides (TMDs) MoSe2 and MoS2. These nanocomposites were analysed with Powder‐X‐ray diffraction (P‐XRD), Raman, and UV/VIS bandgap determination. Their photo activity was assessed under simulated solar light through chrono amperometry and linear sweep voltammetry (CA, LSV). The high anisotropy of the involved materials enables efficient charge separation at the 1D/2D interfaces, increasing photoelectrochemical response four‐fold.
Non-holomorphic modular forms from zeta generators
Authors: Dorigoni Daniele , Doroudiani Mehregan , Drewitt Joshua , Hidding Martijn , Kleinschmidt Axel , Schlotterer Oliver , Schneps Leila , Verbeek Bram 
Published: October 2024

Abstract
We study non-holomorphic modular forms built from iterated integrals of holomorphic modular forms for SL(2, ℤ) known as equivariant iterated Eisenstein integrals. A special subclass of them furnishes an equivalent description of the modular graph forms appearing in the low-energy expansion of string amplitudes at genus one. Notably the Fourier expansion of modular graph forms contains single-valued multiple zeta values. We deduce the appearance of products and higher-depth instances of multiple zeta values in equivariant iterated Eisenstein integrals, and ultimately modular graph forms, from the appearance of simpler odd Riemann zeta values. This analysis relies on so-called zeta generators which act on certain non-commutative variables in the generating series of the iterated integrals. From an extension of these non-commutative variables we incorporate iterated integrals involving holomorphic cusp forms into our setup and use them to construct the modular completion of triple Eisenstein integrals. Our work represents a fully explicit realisation of the modular graph forms within Brown’s framework of equivariant iterated Eisenstein integrals and reveals structural analogies between single-valued period functions appearing in genus zero and one string amplitudes.