bluuebunny/crossref_metadata_2025 huggingface dataset:
Mesoscale modeling of the Shock‐to‐Detonation Transition of pressed‐HMX based on a surface regression model
Authors: Saunier Jérôme , Chinnayya Ashwin , Kaeshammer Elodie , Reynaud Maxime , Genetier Marc
Published: August 2024

Shock‐to‐Detonation Transition (SDT) of heterogeneous high explosives results from processes occurring at the microstructural level. Thus, mesoscale modeling is expected to allow a better comprehension of the SDT. Recent experimental evidence suggested that hotspots mainly developed on the surface of the energetic crystals, which are then consumed by the propagation of a deflagration front. In the present study, mesoscale simulations of the SDT of pressed HMX were performed. The reactive model employed consisted of igniting the surface of the crystals after the shock passage, and reconstructing the burn front propagation, using a modified Youngs’ method. In this reactive model, the velocity of the deflagration front was modeled by a pressure‐dependent law, as suggested by the literature. The simulations showed that the Single Curve Initiation principle remained valid. The parameter deflagration velocity times the surface to volume ratio was found to enable the equivalence between microstructures. This approach provides a new framework to study the SDT of heterogeneous explosives, by considering how the combustion of energetic crystals participate to the shock acceleration and transition into a detonation. This paper serves as a proof of concept, applied to the pressed HMX.
Integrated pest management adoption among citrus growers in Iran: an application of the protection motivation theory
Authors: Abdollahzadeh Gholamhossein , Damalas Christos A. , Sharifzadeh Mohammad Sharif
Published: August 2024

BACKGROUND

Integrated pest management (IPM) is recognized as a sustainable approach to pest control. However, adoption rates among farmers in Iran have been observed to be low. This study investigates the adoption of IPM practices among citrus farmers in Iran and assesses the applicability of the protection motivation theory (PMT) in explaining farmers' behavior towards IPM.

RESULTS

Overall, farmers reported poor levels of IPM use, paying attention only to monitoring practices among the three groups of IPM practices examined (prevention, monitoring, and suppression). The perceived severity of the consequences of chemical pest control (β = 0.389, P < 0.001), the response efficacy of IPM practices (β = 0.254, P < 0.001), and the perceived self‐efficacy of using IPM practices (β = 0.199, P < 0.001) positively predicted adoption of IPM practices, while response cost/barriers of IPM practices (β = −0.355, P < 0.001) negatively predicted adoption of IPM practices.

CONCLUSION

The PMT model presents a unique and interesting perspective to understand if and how IPM practices against the threat of pests are motivated. The perceived severity of the consequences of chemical pest control showed the strongest positive effect, whereas the response cost/barriers of IPM practices showed the strongest negative effect on IPM adoption. © 2024 Society of Chemical Industry.
Effect of DFT Methods and Dispersion Correction Models in ONIOM Methodology on the Activation Energy of Butadiene Polymerization on a Neodymium‐Based Ziegler–Natta Catalyst
Authors: Masliy Alexey N. , Akhmetov Ildar G. , Kuznetsov Andrey M. , Davletbaeva Ilsiya M.
Published: August 2024

In present work, using the double layer ONIOM methodology, we simulated the stages of initiation and growth of the polymer chain during the polymerization of butadiene on a neodymium‐based Ziegler–Natta catalyst. The DFT methods B3LYP and PBE0 in combination with the Def2‐TZVP atomic basis set were used as high‐level methods in ONIOM. Grimme's semi‐empirical XTB1 method was used as a low‐level method. In our previous work, the mechanism of butadiene polymerization on a neodymium‐containing Ziegler–Natta catalyst was studied in detail. The polymerization activation energy of 61 kJ/mol was found to be slightly higher than the experimentally determined values of this parameter. In the present work, the influence of a high‐level method and a model of taking into account dispersion interactions on the quality of calculation of activation parameters of the polymerization reaction was studied. Experimental activation energy for the polymerization of dienes in the presence of Ziegler–Natta catalysts is in the range of 30–60 kJ/mol, but neodymium‐based catalysts have an activation energy somewhat closer to the lower limit of this range. For comparison, semi‐empirical Grimme models D3 and D4 were used. It has been established that the both models reveal within the B3LYP method the activation energy practically the same, while within the PBE0 method it decreases to 41 kJ/mol. Thus, using the PBE0 as a high‐level method within the ONIOM methodology and taking into account dispersion interactions within the D4 model leads to results in much better agreement with experimental data.
Seymour's second neighbourhood conjecture: random graphs and reductions
Authors: Espuny Díaz Alberto , Girão António , Granet Bertille , Kronenberg Gal
Published: August 2024

A longstanding conjecture of Seymour states that in every oriented graph there is a vertex whose second outneighbourhood is at least as large as its outneighbourhood. In this short note we show that, for any fixed , a.a.s. every orientation of satisfies Seymour's conjecture (as well as a related conjecture of Sullivan). This improves on a recent result of Botler, Moura and Naia. Moreover, we show that is a natural barrier for this problem, in the following sense: for any fixed , Seymour's conjecture is actually equivalent to saying that, with probability bounded away from 0, every orientation of satisfies Seymour's conjecture. This provides a first reduction of the problem. For a second reduction, we consider minimum degrees and show that, if Seymour's conjecture is false, then there must exist arbitrarily large strongly‐connected counterexamples with bounded minimum outdegree. Contrasting this, we show that vertex‐minimal counterexamples must have large minimum outdegree.
Central limit theorem in disordered Monomer‐Dimer model
Authors: Lam Wai‐Kit , Sen Arnab
Published: August 2024

We consider the disordered monomer‐dimer model on general finite graphs with bounded degrees. Under the finite fourth moment assumption on the weight distributions, we prove a Gaussian central limit theorem for the free energy of the associated Gibbs measure with a rate of convergence. The central limit theorem continues to hold under a nearly optimal finite ‐moment assumption on the weight distributions if the underlying graphs are further assumed to have a uniformly subexponential volume growth. This generalizes a recent result by Dey and Krishnan who showed a Gaussian central limit theorem in the disordered monomer‐dimer model on cylinder graphs. Our proof relies on the idea that the disordered monomer‐dimer model exhibits a decay of correlation with high probability. We also establish a central limit theorem for the Gibbs average of the number of dimers where the underlying graph has subexponential volume growth and the edge weights are Gaussians.
Effects of partial sleep deprivation on arterial vasculature in university students
Authors: Freitas Vânia , Rocha Clara , Santos Helder
Published: August 2024

Objectives

Investigate whether partial sleep deprivation for five nights causes vascular changes in healthy university students.

Study design

Prospective observational study.

Methods

The study involved 18 young and healthy university students who were instructed to sleep as recommended for their age group for three consecutive nights. On the study's fourth night, participants slept a maximum of 5 h and, on the following nights, they slept less than 8 h. The assessments consisted of carotid assessment, flow‐mediated dilation, and blood pressure (BP) monitoring. During the 8 days studied, participants used actigraphy in their daily routine.

Results

A decrease in the BP of the common carotid artery (CCA), both systolic and diastolic resulted from partial sleep deprivation. After one night of partial sleep deprivation, there was a significant increase in peak systolic velocity and a significant decrease in the systolic diameter of CCA. However, the systolic velocity returned to values similar to those of the control group with the accumulation of nights with sleep deprivation.

Conclusions

Our study indicates that those who do not get sufficient sleep, display sudden alterations in their cardiovascular parameters, which are consistent with an increased risk of developing coronary heart disease, myocardial infarction, stroke, and hypertension.
Fading corporate survival prospects: Impact of co‐selection bias in resource allocation on strategic intent
Authors: Burgelman Robert A. , Aaltonen Pertti
Published: August 2024

Research Summary

Our field study of new business development in a German‐based global pharmaceutical company reveals that the emergence of co‐selection bias in project‐level state‐gate resource allocation engendered a corporate‐level innovation portfolio imbalance. We show how the corporate portfolio imbalance resulted from incoherent managerial activities in the multilevel resource allocation process (RAP) decision context and how this caused fizzling out of the proactively established incipient strategic context of the favored‐for‐growth business unit. Moreover, we identify strategic RAP exploitation challenges that explain why sequential exploitation capability and exploitation drive deficits caused an exploitation trap that limited strategic discretion and stymied top management strategic intent to maintain the company's independence. Our integrated frameworks augment strategic management theory of corporate RAP and offer guidance for future research.

Managerial Summary

We draw attention to the little‐noticed phenomenon of co‐selection bias emerging in the project‐level state‐gate resource allocation to new business development and maladaptive corporate‐level innovation portfolio outcomes that it may produce. We show how top management can use the Bower–Burgelman RAP model to analyze the multilevel RAP decision context and identify the forces that may engender out‐of‐context managerial agency, such as co‐selection bias. We highlight strategic RAP exploitation challenges that top management must meet by matching the RAP exploitation drive with a commensurate RAP exploitation capability to avoid an exploitation trap, thereby increasing the chances of company survival.
Mechano‐Responsive Polymers and Nanocomposites: Recent Advances for Self‐Adaptive Structural Applications
Authors: Yoon Bumyong , Oh Taehoon , Chang Yoon Jin , Suhr Jonghwan
Published: August 2024

Polymer nanocomposites exhibiting remarkable mechanical properties are a focus of research for decades in structural applications. However, their practical application faces challenges due to poor interfacial load transfer, nanofiller dispersion, and processing limitations. These issues are critical in achieving stiff, strong, lightweight, and structurally integrated materials. Additionally, they often suffer from predetermined properties, which may not be effective under specific loading conditions. Addressing these challenges, the development of design strategies for mechano‐responsive materials has advanced, enabling self‐adaptive properties that respond to various mechanical stimuli. Drawing inspiration from natural systems, these approaches have been implemented in synthetic material systems, leveraging the design flexibility of nanocomposites as needed. Key focus areas include exploring mechanoradical reactions for dynamic mechano‐responsiveness, as well as utilizing biomimetic mineralization and mechanical training for self‐strengthening. This work also examines multistability, enabling on‐demand deformation of materials and structures. Recent advancements in viscoelastic damping and nonreciprocal materials are discussed, highlighting their potential for directional energy absorption, transmission, and vibration control. Despite the need for significant improvements for real‐world applications, mechano‐responsive polymers and nanocomposites are expected to offer enormous opportunities not only in structural applications but also in other fields such as biomedical engineering, energy harvesting, and soft robotics.
Zinc Coordination Lipid Nanoparticles Co‐Delivering Calcium Peroxide and Chelating STING agonist for Enhanced Cancer Metalloimmunotherapy
Authors: Qiu Qian , Li Jiexin , Ren He , Zhang Jingyu , Liu Gengqi , Yang Ruiqi , Sun Boyang , Zhang Chen , Zhang Yumiao
Published: August 2024

Metalloimmunotherapy has achieved great preclinical success against malignant tumors. Nonetheless, the limited immune cell infiltration and impaired immunogenicity within the tumor microenvironment (TME) significantly hinder its translation to clinical applications. In this study, a zinc coordination lipid nanoparticle is developed loaded with calcium peroxide hydrate (CaO2) nanoparticles and the STING agonist diABZI‐2, which is termed A‐CaO2‐Zn‐LNP. The release of Zn2+ from the A‐CaO2‐Zn‐LNP and the calcium overload synergistically induced immunogenic cell death (ICD). In addition, CaO2 nanoparticles can consume H+ and release oxygen (O2) under acidic conditions. This treatment increased the pH and alleviated the hypoxia of the TME. Along with cGAS‐STING activation by diABZI‐2, A‐CaO2‐Zn‐LNP ultimately results in enhanced anti‐tumor systemic immunity and long‐term immune memory via alleviating the immunosuppressive microenvironment. Taken together, A‐CaO2‐Zn‐LNP offers a new nanoplatform that expands its application for cancer treatment by metalloimmunotheray.
Electroactive Molecularly Imprinted Polymer Nanoparticles (eMIPs) for Label‐free Detection of Glucose: Toward Wearable Monitoring
Authors: Garg Saweta , Singla Pankaj , Kaur Sarbjeet , Crapnell Robert D. , Banks Craig E. , Seyedin Shayan , Peeters Marloes
Published: August 2024

The diagnosis of diabetes mellitus (DM) affecting 537 million adults worldwide relies on invasive and costly enzymatic methods that have limited stability. Electroactive polypyrrole (PPy)‐based molecularly imprinted polymer nanoparticles (eMIPs) have been developed that rival the affinity of enzymes whilst being low‐cost, highly robust, and facile to produce. By drop‐casting eMIPs onto low‐cost disposable screen‐printed electrodes (SPEs), sensors have been manufactured that can electrochemically detect glucose in a wide dynamic range (1 µm–10 mm) with a limit of detection (LOD) of 26 nm. The eMIPs sensors exhibit no cross reactivity to similar compounds and negligible glucose binding to non‐imprinted polymeric nanoparticles (eNIPs). Measurements of serum samples of diabetic patients demonstrate excellent correlation (>0.93) between these eMIPs sensor and the current gold standard Roche blood analyzer test. Finally, the eMIPs sensors are highly durable and reproducible (storage >12 months), showcasing excellent robustness and thermal and chemical stability. Proof‐of‐application is provided via measuring glucose using these eMIPs sensor in a two‐electrode configuration in spiked artificial interstitial fluid (AISF), highlighting its potential for non‐invasive wearable monitoring. Due to the versatility of the eMIPs that can be adapted to virtually any target, this platform technology holds high promise for sustainable healthcare applications via providing rapid detection, low‐cost, and inherent robustness.
Cyclic Ether‐Based Electrolyte with a Weak Solvation Structure for Advanced Potassium Metal Batteries
Authors: Wang Danni , Wang Zhijie , Zhai Dengyun , Zhang Biao
Published: August 2024

Potassium metal batteries (PMBs) are promising candidates for large‐scale energy storage. Conventional carbonate electrolytes exhibit unsatisfactory thermodynamic stability against potassium (K) metal anode. Linear ether is widely adopted because of its compatibility with K metal, but the poor oxidation stability restricts the application with high‐voltage cathodes. Herein, a weakly solvating cyclic ether is proposed as a solvent to stabilize the K‐electrolyte interface and build a robust solid‐electrolyte interphase (SEI). This weakly solvating electrolyte (WSE) possesses an anion‐dominated solvation structure, which facilitates the anion decomposition for constructing an inorganic‐rich SEI. The superior mechanical properties of the SEI, as examined by atomic force microscopy, prevent the SEI from fracture. Consequently, this WSE achieves highly reversible plating/stripping behavior of K metal for 1300 h with a high average Coulombic efficiency of 99.20%. Stable full cells are also demonstrated with a high‐voltage cathode at harsh conditions. This work complements the design of WSEs for advanced PMBs by cyclic ether solvents.
Coupled Ni─Co Dual‐Atom Catalyst for Guiding Sulfur and Lithium Evolutions in Lithium–Sulfur Batteries
Authors: Lin Hong , Guo Zhiliang , Zhang Qingchun , Yang Qin , Wang Meng , Chen Yuanyuan , Shen Shiying , Wei Xijun , Song Lixian , Song Yingze , Pan Hui
Published: August 2024

The kinetically retarded sulfur evolution reactions and notorious lithium dendrites as the major obstacles hamper the practical implementation of lithium–sulfur batteries (LSBs). Dual metal atom catalysts as a new model are expected to show higher activity by their rational coupling. Herein, the dual‐atom catalyst with coupled Ni─Co atom pairs (Ni/Co‐DAC) is designed successfully by programmed approaches. The Ni─Co atom pairs alter the local electron structure and optimize the coordination configuration of Ni/Co‐DAC, leading to the coupling effect for promoting the interconversion of sulfur and guiding lithium plating/striping. The LSB delivers a remarkable capacity of 818 mA h g−1 at 3.0 C and a low degeneration rate of 0.053% per cycle over 500 cycles. Moreover, the LSB with a high sulfur mass loading of 6.1 mg cm−2 and lean electrolyte dosage of 6.0 µL mgS−1 shows a remarkable areal capacity of 5.7 mA h cm−2.
Liquid Metal‐Modified 3D Cu Foam for Dendrite‐Free Sodium Plating
Authors: Wu Yinghong , Zhu Junbing , Ni Jiangfeng , Li Liang
Published: August 2024

Sodium metal is regarded as one of the most promising anode materials due to its high theoretical capacity (1166 mAh g−1) and low redox potential (−2.714 V vs standard hydrogen electrode). However, the practical application of sodium metal is hindered by the formation of dendrites during Na stripping and plating, which can degrade performance and cause potential safety hazards. To address this issue, previous work focuses on leveraging either 3D current collectors or liquid metal modification on current collectors. In this work, both strategies are simultaneously leveraged to design a 3D Cu foam with liquid metal modification (LM@Cu) for dendrite‐free sodium plating. The 3D configuration of Cu effectively reduces local current density and evenly distributes electric fields, while the introduction of liquid metal enhances the sodiophilicity of Cu to lower the nucleation barrier for sodium, thereby promoting its uniform plating. As a result, symmetric cells of Na with LM@Cu maintain stable cycling for over 2800 h. Additionally, full cells comprising Na‐LM@Cu and Na3V2(PO4)3 sustain 97.5% of the capacity upon 1000 cycles, underscoring the great potentiality of liquid metal‐mediated 3D current collectors in energy storage.
Full‐Dimensional Analysis of Gaseous Products to Unlocking In Depth Thermal Runaway Mechanism of Li‐Ion Batteries
Authors: Zhang Haitang , Xue Jiyuan , Qin Yaru , Chen Jianken , Wang Junhao , Yu Xiaoyu , Zhang Baodan , Zou Yeguo , Hong Yu‐hao , Li Zhengang , Qiao Yu , Sun Shi‐Gang
Published: August 2024

In this study, state‐of‐the‐art on‐line pyrolysis MS (OP‐MS) equipped with temperature‐controlled cold trap and on‐line pyrolysis GC/MS (OP‐GC/MS) injected through high‐vacuum negative‐pressure gas sampling (HVNPGS) programming are originally designed/constructed to identify/quantify the dynamic change of common permanent gases and micromolecule organics from the anode/cathode–electrolyte reactions during thermal runaway (TR) process, and corresponding TR mechanisms are further perfected/complemented. On LiCx anode side, solid electrolyte interphase (SEI) would undergo continuous decomposition and regeneration, and the R‐H+ (e.g., HF, ROH, etc.) species derived from electrolyte decomposition would continue to react with Li/LiCx to generate H2. Up to above 200 °C, the O2 would release from the charged NCM cathode and organic radicals would be consumed/oxidized by evolved O2 to form COx, H2O, and more corrosive HF. On the contrary, charged LFP cathode does not present obvious O2 evolution during heating process and the unreacted flammable/toxic organic species would exit in the form of high temperature/high‐pressure (HT/HP) vapors within batteries, indicating higher potential safety risks. Additionally, the in depth understanding of the TR mechanism outlined above provides a clear direction for the design/modification of thermostable electrodes and non‐flammable electrolytes for safer batteries.
Foreign aid and corruption: Unveiling the obstacles to effective development
Authors: Bethencourt Carlos , Perera‐Tallo Fernando
Published: August 2024

Empirical evidence suggests that foreign aid may be ineffective and have a corruption‐promoting effect. This article presents a growth model in which foreign aid can enhance the government's ability to acquire productive public goods. However, foreign aid incentivizes corrupt firms to engage in bribery and divert public resources, reducing the provision of public goods and hindering productivity and growth. This corruption‐promoting effect renders foreign aid counterproductive when it surpasses a certain threshold, particularly in the presence of weak institutions. The article proposes anti‐corruption policies to enhance the effectiveness of foreign aid, stressing the importance of conditionality in foreign aid and coordination among donor countries in giving the right incentives to the recipient country's governments.
Role of Activating Flux in Weld Bead Symmetricity during Dissimilar Metal Joining
Authors: Sivateja Petla , Vidyarthy Ravi Shanker , Dwivedi Dheerendra Kumar
Published: August 2024

Ferritic/martensitic steels and austenitic stainless steels are high‐strength steels, and highly recommended in high‐temperature and high‐pressure application. In general, multimetallics with different Inconel alloys are used for joining. This is quite a complex and time‐consuming procedure. The current work demonstrates the efforts made to weld 8 mm‐thick P91 steel and 316L SS plates in a single pass using activating flux tungsten inert gas (A‐TIG) welding process without any interlayers. The main challenge is to get the symmetric weld bead profile. Flux coating is optimized in terms of flux composition, coating density, and coating pattern to get the full penetration with symmetric appearance. The current work discusses the possible cause and their solution of asymmetricity during dissimilar welding. Differential flux coating density is found to be very effective in controlling the arc column shape, fluid flow, and consequently the bead geometry. High coating density is used in the P91 side compared to 316L side. Symmetric weld profile with full penetration is achieved by applying multicomponent flux (33–38% TiO2, 38–43% SiO2, 13–17% NiO, and 8–10% CuO) during A‐TIG welding.
Push‐out tests of demountable shear connectors for sustainable composite structures
Authors: Király Krisztián , Dunai László , Calado Luis , Balázs Kocsis András
Published: August 2024

The demountable shear connector is the most important component of sustainable composite structures, as it allows the elements to be reused. The ongoing research and development project – in the cooperation of the Budapest University of Technology and Economics and KÉSZ Group, bim.GROUP Ltd., Hungary – aims to design a new demountable steel‐concrete composite structural system. In the current research, bolted shear connectors with embedded bolts and threaded rods, which can fit the applied technology of the industrial partner, are being developed and studied. One of the main aspects of this connection is to consider the bolt hole clearance – to decrease initial slip and stiffness reduction – and also to provide the proper strength and ductility features. A push‐out experimental programme was designed and completed to study the behaviour of the developed shear connections. It is observed that the examined shear connectors have proper structural behaviour with adequate resistance and ductility, which is applicable according to the Eurocode 4 standard and fits the objectives of the current research project. This paper presents the developed structural details, the observations and the evaluation of the push‐out experimental results with the conclusions and statements.
Social and environmental risk factors for canine leptospirosis: A scoping review
Authors: Vyn Carys M. , Libera Kellie C. , Weese J. Scott , Jardine Claire M. , Berke Olaf , Grant Lauren E.
Published: August 2024

Background

Canine leptospirosis is a zoonotic disease of global importance. The identification of social and environmental risk factors remains limited and is needed for planning interventions. Our objectives were to summarise the global trends in social and environmental risk factors for canine leptospirosis and to identify knowledge gaps.

Methods

We searched peer‐reviewed and grey literature for observational studies on canine leptospirosis written in English. Variables assessed via formal statistical tests were recorded and categorised into thematic risk factor groups. The risk factors were summarised by the number of unique studies and their direction of association.

Results

Of the 3184 articles identified, 66 met the inclusion criteria. Eight environmental and three social risk factor groups were identified. Exposure to animals and water was commonly studied, but social risk factors were infrequently examined. Most studies were conducted on populations in higher‐income countries and countries in the Americas.

Limitations

Several limitations were encountered, including inconsistent study designs and measurement and control of variables as well as disproportionate representation of studies from the Americas and higher‐income countries.

Conclusion

The weight and quality of evidence for social and environmental risk factors were highly variable. Additional research following standard reporting guidelines to improve transparency and increase generalisability to different contexts is needed.
Synthesis and characterization of a designed poly(ionic liquid‐modified graphene oxide) nanocomposite: Evaluation of nitrate removal from water and antimicrobial properties
Authors: Amininasab S. Mojtaba , Nasseri Mona , Soleimani Bita , Hassanzadeh Marjan , Shami Zahed
Published: August 2024

Addressing the global challenge of water contamination, this study introduces a novel nanocomposite adsorbent—poly(ionic liquid‐modified graphene oxide) (PIL‐MGO)—designed to remove nitrates efficiently from water and combat microbial threats. Leveraging modified graphene oxide and vinyl imidazolium‐based ionic liquid, this research synthesizes an adsorbent via a facile and cost‐effective approach. The performance of PIL‐MGO was rigorously analyzed through a series of characterizations, including Frontier transform infrared spectroscopy, field emitting scanning electron microscopy, energy dispersive X‐ray spectroscopy, and thermogravimetric analysis, revealing its robust structural composition and thermal stability. In our experimental exploration, the adsorbent showcased a remarkable nitrate removal efficiency of up to 97.53%, under optimal conditions of an initial pH of 5, room temperature, initial nitrate concentration of 30 mg/L, a contact time of 30 min, and an adsorbent dosage of 40 mg, with a significant selectivity for nitrate ions over competing anions. Moreover, regeneration of the adsorbent up to 7 cycles indicated only a marginal decline in adsorption efficiency. Furthermore, PIL‐MGO demonstrated considerable antimicrobial properties against bacteria and fungi, indicating its dual utility in water purification and microbial inhibition. These findings suggest that the synthesized nanocomposite holds great promise for addressing environmental and health‐related challenges posed by water pollutants. This study not only underscores the capabilities of PIL‐MGO but also paves the way for further advancements in adsorbent technologies.

Highlights

A novel nanocomposite was synthesized based on vinyl imidazolium ionic liquid and modified graphene oxide.

This newly developed nanocomposite was evaluated as an adsorbent for the removal of nitrate ions from water, demonstrating high removal efficiency.

The adsorbent exhibited notable selectivity for nitrate ions, effectively distinguishing them from competing anions such as chloride, bicarbonate, sulfate, and phosphate.

The adsorption kinetics of the nanocomposite were best described by the pseudo‐second‐order kinetic model, and the adsorption isotherm aligned well with the Langmuir model.

Investigation of the nanocomposite antimicrobial activity displayed considerable inhibitory effects against both bacteria and fungi.
Autologous blood urethral patching: A novel treatment option for persistent urethral leakage in a dog
Authors: McCord Morgan A. , Hinson Whitney D. , Mankin Kelley Thieman
Published: August 2024

A 6‐year‐old miniature schnauzer was referred for urolithiasis and perineal swelling, suspicious of urethral trauma. On positive‐contrast cystourethrogram, the dog was diagnosed with rupture of the penile urethra. Temporary urinary diversion was attempted with no improvement. Primary urethral anastomosis was performed, but urine leakage resumed after surgery and led to wound formation in the perineum. Additional surgery was recommended to repair the urethra, but financial constraints prevented further surgery and hospitalisation. The decision was made to attempt an autologous blood urethral patch, mimicking the methodology of autologous blood pleurodesis for persistent pneumothorax. Autologous blood was instilled into the urethra at the site of the urethral tear. Five days after the procedure was performed, positive‐contrast cystourethrogram identified no contrast material outside the boundaries of the urethra. In this dog, performing autologous blood urethral patch resulted in a safe and non‐invasive treatment option for persistent urethral leakage following failure of traditional management.
Immature Offshore Wind Technology: UK Life Cycle Capacity Factor Analysis
Authors: Lorentzen Sindre , Osmundsen Petter , Lu Li
Published: August 2024

By multivariate econometric analysis of UK offshore wind farms, we demonstrate a life cycle effect of the capacity factor of offshore wind. From the bathtub curve findings in reliability engineering, we would expect a long, flat segment of stable operation in the middle of the life cycle production schedule. Our general findings deviate from the standard curve as it does not have a long segment where production is stable. Production starts falling too early. Lack of stable operation period is harmful to wind farm economics. It indicates immature technology and a potential for improvement. We examine the effect life cycle production schedules have on project economics and compare with a common assumption of a flat production schedule. We find that project profitability (net present value) is very sensitive to the life cycle profile of production.
Aliovalent Doping of Niobium and Tantalum Pentoxide as Potential Alternative Support Material for Fuel Cell Catalysts
Authors: Giehr Andreas , Stöwe Klaus
Published: August 2024

As the usually used Carbon Blacks (CB) as support materials in fuel cell catalysts are thermodynamically unstable, alternative supports with high chemical stability and electrical conductivity are to be found. After the investigation of Nb and Ta‐doped SnO2 in an earlier publication, which revealed interesting conductivity properties, we expanded our portfolio of mutual doping of elements of stable oxides into the oxides of the others by reporting here on the Sn, Hf and W‐doping as guests into the base oxides Nb2O5 and Ta2O5. The changes in unit cell parameters as indicators for the doping success were investigated in the doping range of x=0–10 mol % guest fraction. From a complete solubility of the guest ions in case of Hf and W‐doping in the base oxides to a limited solubility in case of Sn‐doping, a whole spectrum of different results was obtained. Additional insight came from UV/vis spectroscopic investigations in diffuse reflectance as well as electrical conductivity measurements.
The effects of bioconvection, non‐Fourier heat flux, and thermal radiations on Williamson nanofluids and Maxwell nanofluids transportation with prescribed thermal conditions
Authors: Afzal Saima , Siddique Imran , Abdal Sohaib , Hussain Sajjad , Salimi Mehdi , Ahmadian Ali
Published: August 2024

The utilization of nanoentities in common fluids has opened new opportunities in the area of heat transportation. The rising requirements to enhance the efficiency of compact heat exchangers can be achieved by using various nanofluids. In this article, the thermal output of Maxwell and Williamson nanofluids transport over a prolonging sheet with bioconvection of self‐motivated organisms is scrutinized. A magnetic flux and the porous effects of a medium influence the flow of fluids. The fundamental principles for conservation of mass, concentration, momentum, and energy yield a nonlinear set of partial differential equations that can then be altered into ordinary differential form. A heat transfer flux is presented along with temperature boundary conditions, PST, and PHF (prescribed surface temperature and prescribed heat flux). The numerical results are acquired by executing the Runge–Kutta method with a shooting procedure in MATLAB coding. By fluctuating the inputs of influential variables of the dependent functions, a precise overview of the scheme is acquired. It can be seen that velocity decreases with the rising values of buoyancy ratio, magnetic force, Raleigh number, and porosity. Also, the temperature of the fluids begins to rise directly with the rising values of thermophoresis and Brownian motion parameters. The present study addresses bioconvection, non‐Fourier heat flow, and thermal radiations while combining the special properties of Williamson and Maxwell nanofluids. The field of biomedical engineering may benefit from this study, particularly with regard to therapies for hyperthermia and drug delivery systems. This study can be useful in cutting‐edge cooling systems, bioengineering, solar energy conversion and biotechnology.
Irreversibility analysis of Eyring Powell nanofluid flow in curved porous channel
Authors: Sami‐Ul‐Haq Muhammad , Ashraf Muhammad Bilal
Published: August 2024

The aim of this study is to minimize entropy in the MHD Eyring‐Powell fluid through a semi‐porous curved channel. The flow phenomena are examined under the consideration of joule heating, viscous heating, thermophoresis, and Brownian motion. The motivation of this research is to minimize entropy production in curved porous channel because thermal systems become more efficient as a result of decreased energy consumption, operational expenses, and experimental costs. This approach is useful in designing industrial equipment that requires efficient thermal management, such as fuel cells, chemical processing, and advanced refrigeration systems. The coupled boundary layer equations of the problem are highly nonlinear PDEs, which are transformed into systems of coupled ODEs by using similarity variables. The solution of a coupled system of ODEs is obtained numerically via Bvp4c. The effect of several physical parameters for entropy analysis, Bejan number, concentration, and velocity/temperature are illustrated and analyzed using graphs. Furthermore, the computational outcomes of physical quantities, for example, heat and mass transfer rate are also presented. Results indicated that the increasing value of the Reynolds number increases the entropy generation rate, while the reverse tendency is noticed for the Eyring‐Powell parameter. The rising values of the Brownian parameter increase the Bejan number after its decrease, while reverse behavior is observed for the thermophoresis parameter.
Implication of electromagnetohydrodynamic flow of a non‐Newtonian hybrid nanofluid in a converging and diverging channel with velocity slip effects: A comparative investigation using numerical and ADM approaches
Authors: Kezzar Mohamed , Nehal Abdelaziz , Ragupathi Pachiyappan , Saranya Shekar , Khan Umair , Sari Mohamed Rafik , Ismail Tabet , Siddiqui Md Irfanul Haque
Published: August 2024

This study delves into the intricate interplay of magnetic and electric fields (EMHD) on the flow characteristics of a non‐Newtonian bio‐hybrid nanofluid, consisting of Ag+Graphene/blood, within converging and diverging geometries. The investigation takes into account the effects of velocity slip at the walls, offering a comprehensive examination of this complex fluid system. A novel bio‐hybrid nanofluid model was introduced, featuring a unique combination of Ag+Graphene/blood nanoparticles. To address this multifaceted problem, the research employed mathematical modeling based on nonlinear partial differential equations (PDEs), encompassing continuity and momentum equations. These PDEs were then transformed into a system of nonlinear ordinary differential equations (ODEs) through similarity transformations. The study explored both numerical and analytical solutions, with a particular focus on the application of the Adomian decomposition method (ADM). To validate the findings, the study compared the analytical results with those obtained using the HAM‐based Mathematica package and the Runge–Kutta Fehlberg 4th–5th order (RKF‐45) method in specific scenarios. Active parameters, including nanofluid volume fraction, slip factors, and the influence of magnetic and electric fields, were systematically examined to unveil their impacts on velocity and skin friction within this multifaceted nanofluid system. It is found that the skin friction coefficient decreases with the Increasing both the nanoparticle volume fraction, Hartmann number and the angle in both channels. Results obtained also reveal an in the converging section, higher Casson parameters lead to increased yield stress but are offset by the higher shear rates, resulting in a higher velocity profile. In the diverging section, the fluid resists flow due to the reduced shear stress, leading to a decreased velocity profile.
The time‐fractional ISPH method for fin circular rotation on MHD bioconvection flow of oxytactic microorganisms and NEPCM within a hexagonal‐shaped cavity
Authors: Awad Fawzia , Raizah Zehba , Aly Abdelraheem M.
Published: August 2024

This work investigates the bioconvection flow of oxytactic microorganisms and nanoparticle‐enhanced phase change material (NEPCM) within a hexagonal‐shaped cavity containing a rotated cross fin, utilizing the incompressible smoothed particle hydrodynamics (ISPH) method based on a time‐fractional derivative. The study considers the circular rotation of an inner cross fin and the presence of two rectangular heat sources on the plane walls inside the hexagonal cavity. The novelty of this work is its integration of a hexagonal‐shaped cavity with a rotated cross fin and the use of a time‐fractional derivative in the ISPH method to analyze bioconvection flow, offering new insights into the interaction between microorganism motion and heat transfer dynamics in complex geometries. The effects of Darcy, Hartmann, Lewis, Peclet, Rayleigh, and bioconvection Rayleigh numbers on isotherms, heat capacity ratio, microorganism density, velocity fields, and average Nusselt number are analyzed. The key findings demonstrate the significant impact of Rayleigh and bioconvection Rayleigh numbers in enhancing heat distribution and velocity fields, thereby significantly influencing microorganism motion. Due to Lorentz forces, the velocity field decreases by with an increase in the Hartmann number from 0 to 50. The resistance of the nanofluid's velocity becomes apparent as the Darcy number decreases. Increasing Lewis and Péclet numbers cause the microorganisms to shift towards the cavity's boundaries.
Novel collider signatures in the type-I 2HDM+a model
Authors: Argyropoulos Spyros , Haisch Ulrich , Kalaitzidou Ilia
Published: August 2024

Abstract

The 2HDM+a model is one of the main models used in the interpretations of dark matter searches at the LHC. So far, all the 2HDM+a benchmarks considered by the ATLAS and CMS experiments are limited to a type-II Yukawa sector, in which the Higgs bosons A, H, and H± are all constrained to be mass-degenerate and heavier than around 600 GeV. In this work, we present the first detailed study of 2HDM+a models with a type-I Yukawa sector, which, for moderate values of tan β, lift the constraints from flavour physics, allowing the extra Higgs bosons to be even lighter than the 125 GeV Higgs boson discovered at the LHC. We discuss several benchmarks where the A, H, and H± states are not necessarily mass-degenerate and the signatures that arise in these models, some of which have not yet been explored at the LHC. We present the dominant channels in the studied benchmarks and the expected sensitivity in Run 2 data using truth-level analyses and discuss potential improvements in the experimental searches for Run 3.
Hydrodynamics, anomaly inflow and bosonic effective field theory
Authors: Abanov Alexander G. , Cappelli Andrea
Published: August 2024

Abstract

Euler hydrodynamics of perfect fluids can be viewed as an effective bosonic field theory. In cases when the underlying microscopic system involves Dirac fermions, the quantum anomalies should be properly described. In 1+1 dimensions the action formulation of hydrodynamics at zero temperature is reconsidered and shown to be equal to standard field-theory bosonization. Furthermore, it can be derived from a topological gauge theory in one extra dimension, which identifies the fluid variables through the anomaly inflow relations. Extending this framework to 3+1 dimensions yields an effective field theory/hydrodynamics model, capable of elucidating the mixed axial-vector and axial-gravitational anomalies of Dirac fermions. This formulation provides a platform for bosonization in higher dimensions. Moreover, the connection with 4+1 dimensional topological theories suggests some generalizations of fluid dynamics involving additional degrees of freedom.
Domain walls in super Yang-Mills: worldvolume TQFTs and deconfinement from semiclassics on ℝ3 × 𝕊1
Authors: Cox Andrew A.
Published: August 2024

Abstract

This work studies domain walls between chirally-separated vacua in supersymmetric Yang-Mills theory (SYM) on ℝ3× 𝕊1 in the semiclassical limit. For all gauge groups we explicitly find the electric fluxes of all BPS domain walls and fully characterize the representation that they form under the global symmetry of SYM. We compute the characters of these representations formed by the semiclassical domain walls. We also compute these characters for the worldvolume TQFTs appearing in the literature for SU(N) and Sp(N) gauge groups. We find complete agreement between the two computations, providing thus a dynamical test of the proposed worldvolume TQFTs. We also propose a new worldvolume TQFT for E6 domain walls, subjecting it to the same tests. Finally, we study deconfinement of quarks on domain walls for all gauge groups. We show that for all gauge groups confining strings (stable in the abelianized regime) can end on domain walls, regardless of whether or not the group has a center.
T-duality and flavor symmetries in Little String Theories
Authors: Ahmed Hamza , Oehlmann Paul-Konstantin , Ruehle Fabian
Published: August 2024

Abstract

We explore the T-duality web of 6D Heterotic Little String Theories, focusing on flavor algebra reducing deformations. A careful analysis of the full flavor algebra, including Abelian factors, shows that the flavor rank is preserved under T-duality. This suggests a new T-duality invariant in addition to the Coulomb branch dimension and the two-group structure constants. We also engineer Little String Theories with non-simply laced flavor algebras, whose appearance we attribute to certain discrete 3-form fluxes in M-theory. Geometrically, these theories are engineered in F-theory with non-Kähler favorable K3 fibers. This geometric origin leads us to propose that freezing fluxes are preserved across T-duality. Along the way, we discuss various exotic models, including two inequivalent Spin(32)/ℤ2 models that are dual to the same E8 × E8 theory, and a family of self-T-dual models.
Side-side-angle with fixed angles and the cyclic quadrilateral
Authors: Csiba Peter , Donnelly John , Németh László
Published: August 2024

Among the triangle congruence axioms, the side-side-angle (SsA) axiom states that two triangles are congruent if and only if two pairs of corresponding sides and the angles opposite the longer sides are equal. The modification of the SsA axiom provides a construction with two triangle sequences . We require that the opposite angles of the equivalent shorter sides be fixed and the longer sides be equal. The locus of the intersection points of other sides of triangles is derived to be a hyperbola, and in a generalized form defined by a complete quadrilateral, it is a conic section.
Novel monastrol/melatonin hybrids as a new approach for colorectal cancer intervention: design, synthesis, biological activity, and drug-likeness modeling studies
Authors: Preciado-A David , Yepes Andrés F. , Herrera-R Angie , Cardona-G Wilson
Published: August 2024

Considering the important increase in the incidence and mortality of colorectal cancer, it is necessary to develop new strategies in the search for new alternatives against this disease. Hence, we designed and synthesized a new series of monastrol/melatonin hybrids and evaluated them in vitro and in silico to determine the potential of these new chemical entities on this type of cancer. To achieve this goal, the different compounds were evaluated in human colorectal adenocarcinoma cells SW480, while establishing the selective potential of the hybrids through the nonmalignant human colon mucosal epithelial cell line (NCM460). According to the results, hybrids 6a, 6c, 6i, and 6j displayed the best response, with IC50 values in the range of 5.2 and 6.3 μM, inducing important changes depending on concentration and time. In addition, these compounds were extremely active in comparison to the single molecules, and they were slightly more selective than the reference drug (5 fluorouracil, 5-FU). Besides, an optimal pharmacokinetic and toxicological profile was also estimated for hybrids 6a, 6c, 6i, and 6j. Altogether, novel hybrids of monastrol-MLT, in particular, 6a (-H), 6c (3-OMe), 6i (3,4-OMe), and 6j (3,5-OMe) could be addressed as starting points for further pharmacological studies concerning to combat colorectal cancer.