In the realm of metal steel and iron manufacturing, there is a constant drive to optimize production efficiency and enhance the quality of the final products. This abstract explores a paradigm shift in this industry through the utilization of Computational Fluid Dynamics (CFD) as a powerful tool for achieving these goals .The study focuses on various critical aspects of the manufacturing process. Firstly, it delves into three-phase processes such as slag and gas entrainment in liquid steel, which have a significant impact on the overall product quality. Understanding and optimizing these processes is crucial to ensure the desired chemical composition and physical properties of the final metal.The abstract investigates the role of CFD in vacuum degassing, a process that plays a pivotal role in removing impurities, such as hydrogen and oxygen, from the liquid steel. By leveraging CFD to simulate and analyze the fluid flow patterns, researchers and engineers can design more efficient vacuum degassing systems, leading to improved product purity and reduced waste.Another crucial aspect explored in this abstract is the alloy melt and mixing process. By employing CFD simulations, researchers can gain insights into the movement of different alloy components and optimize their distribution within the melt. This aids in achieving the desired alloy composition, ensuring uniformity, and enhancing the mechanical properties of the final product.In addition, the study delves into the movement and flotation of inclusions, which are unwanted impurities present in the metal. CFD can be utilized to model and analyze the behavior of these inclusions, enabling engineers to design efficient strategies for their removal, thereby enhancing the purity and integrity of the final product.Moreover, the abstract considers the impact of melt temperature losses, which can occur during different stages of the manufacturing process. By employing CFD, it becomes possible to understand and mitigate these temperature losses, leading to improved energy efficiency and better control over the manufacturing parameters.Part 1 of this abstract critically evaluates the use of CFD in iron making, analyzing its benefits and limitations. It highlights how CFD can aid in process optimization, improving the understanding of complex phenomena involved in iron making, and ultimately leading to enhanced production efficiency.Part 2 focuses on the application of CFD in steel making and steel operation. It explores the fluid flow dynamics during different stages of steel production, including refining, casting, and rolling. By leveraging CFD, engineers can optimize these processes, leading to improved product quality, reduced defects, and increased productivity.This abstract demonstrates the transformative potential of Computational Fluid Dynamics in metal, steel, and iron manufacturing. By utilizing CFD as a tool to model and analyze complex fluid flow phenomena, researchers and engineers can revolutionize the production process, maximizing efficiency, and ensuring high-quality end products.

Driven by mounting environmental apprehensions stemming from the over dependence on fossil fuels in energy and transportation sectors, extensive exploration into alternative energy sources, particularly biomass, has stimulated profound research on harnessing the potential of computational and mathematical techniques. This comprehensive survey delves into optimal models and strategies, unveiling their pivotal role in the design of biomass gasification processes.of hydrogen through biomass gasification. In this study, we aim to provide a comprehensive overview of the computational and mathematical techniques employed in optimizing biomass gasification processes, with a specific focus on enhancing hydrogen yield. Through an extensive literature review, various models and strategies will be examined, including thermodynamic analysis, kinetic modeling, reactor design, and process optimization. By uncovering the power of these techniques, we aim to contribute to the advancement of sustainable and efficient biomass utilization for the hydrogen-based future economy.This paper aims to provide an updated and comprehensive coverage of the investigations conducted on the potential of producing hydrogen from biomass through gasification. To achieve this, we incorporate the latest works that have utilized numerical modeling, simulation, optimization techniques, process heat integration, and co-generation in their studies. By encompassing these aspects, we aim to offer a broader and more in-depth re-appraisal of the subject matter. This will ensure that readers gain a holistic understanding of the advances made in the field and the potential for sustainable hydrogen production of biomass gasification.Through a meticulous re-appraisal and analysis of each subject, we can identify their respective strengths and areas that require further research effort. By thoroughly examining numerical modeling, simulation, optimization techniques, process heat integration, and co-generation, we can assess their effectiveness and applicability in the context of biomass gasification for hydrogen production. This analysis shed light on the areas where these techniques excel, as well as pinpoint limitations or gaps in current understanding. By identifying these areas, we can highlight the need for further research and development, enabling us to make significant advancements in biomass gasification processes and pave the way for a sustainable and efficient hydrogen-based future economy..

Maritime data not only identify financial resources that can significantly enhance the efficiency of shipping companies but also play a pivotal role in promoting eco-friendly and sustainable shipping practices. However, active corporate strategies are required to include maritime data essential for the commercial operation of autonomous ships in the form of corporate assets by transparent evaluating the data. The aim of this study is to review previous studies on da-ta-valuation models, identify a valuation model suitable for maritime business, consider the characteristics of maritime data. The analytic hierarchy process (AHP) method is used to derive priorities for valuing maritime data assets, with emphasis placed on the characteristics of mari-time data, followed by the character of the future-oriented maritime-data market and the da-ta-valuation model. The results obtained that the most important factors in selecting a maritime data-valuation model by analyzing the AHP method were identified as the characteristics of the maritime data(M1). The next most important factors analyzed were the features of the mari-time-data market(M2) and the features of the maritime data-valuation model(M3) in order. In addition, the characteristics of maritime data were preferentially considered among the main criteria, and the market approach (A2) was selected as the most optimal valuation model. The potential impact of this implementation could contribute to the establishment of an intelligent technology market by estimating the value of data and developing a platform for maritime data trading, allowing for more efficient data sharing and utilization by maritime autonomous sur-face ship(MASS).

Developing a dependable gas and condensate value chain is vital for the ongoing prosperity of the oil and gas industries. To achieve this, NNPC is enhancing its production facilities by employing process modeling and simulation with the assistance of Symmetry iCON®. As a part of this initiative, a simulation model was created using the Symmetry iCON® pipe plexus solver to simulate the dynamic environment of the gas and condensate pipeline network in the Nigerian Southern region. To validate the model, data from a single month, specifically December 2022, was utilized. Furthermore, the algorithm was utilized to generate projections for the month of January 2023, providing valuable insights into its effectiveness. The study also highlighted the significance of accurately estimating the characteristics and properties of a pseudo component of C6+ in relation to thermodynamics and material properties, which was a particularly insightful finding. he assessment of this property has transitioned from being relatively unimportant to becoming critically important, primarily due to the lack of condensate data monitoring at specific terminals. However, it's worth noting that the model currently has an error margin of 4-6% when predicting the data. As more information becomes available in the future, the model can be easily fine-tuned to better align with the actual conditions, allowing for more accurate predictions.

Accurate assessment of shale gas reserves hinges on a detailed characterization of gas and water distribution within shale reservoirs. Despite its importance, the nanoscale behavior of water and methane in deep shale formations, especially under elevated temperatures and pressures, remains poorly understood. This study proposes a novel molecular modeling approach to represent the complex nanocomposite porous media found in deep shale matrices. Leveraging quantitative data from experimental analyses of shale pore composition, we developed a molecular model that accurately reflects the intricate pore-slit structure within a composite of kerogen and illite, common constituents of shale. Employing a hybrid grand canonical Monte Carlo and molecular dynamics simulation technique, we investigated the micro-scale distribution and preferential adsorption sites of water and methane within the shale matrix. Our research further elucidates the impact of water on the pore structure of shale and delineates the co-occurrence patterns of water and methane. The simulations reveal that water and methane share similar adsorption preferences on kerogen surfaces, while methane does not exhibit specific adsorption preferences on water-bearing illite. We also find that the presence of water significantly alters the illite pore space, leading to a reduction in larger pore volumes and a concomitant increase in smaller pores. The decrease in methane content with increasing water content is more pronounced in the shrinkage cracks compared to the kerogen matrix pores and is particularly notable in the macropores of illite. The findings underscore the differential sensitivity of methane content to water levels across various shale pore types. These insights contribute to a deeper theoretical understanding of gas and water distribution mechanisms in deep shale reservoirs, offering valuable support for the evaluation of deep shale gas resource potential.

Segment Anything Model 2 (SAM 2) is a state-of-the-art development by Meta AI Research, designed to address the limitations of its predecessor, SAM, particularly in the realm of video segmentation. SAM 2 employs a transformer-based architecture enhanced with streaming memory, enabling real-time processing for both images and videos. This advancement is important given the exponential growth of multimedia content and the subsequent demand for efficient video analysis. Utilizing the SA-V dataset, SAM 2 excels in handling the intricate spatio-temporal dynamics inherent in video data, ensuring accurate and efficient segmentation. Key features of SAM 2 include its ability to provide real-time segmentation with minimal user interaction, maintaining robust performance even in dynamic and cluttered visual environments. This study provides a comprehensive overview of SAM 2, detailing its architecture, functionality, and diverse applications. It further explores the model's potential in improving practical implementations across various domains, emphasizing its significance in advancing real-time video analysis.

Computational Fluid Dynamics (CFD) is revolutionizing the oil and gas industry by offering powerful insights and innovative solutions. This paper explores the cutting-edge applications of CFD in enhancing and innovating within the sector. CFD simulations provide engineers with invaluable insights into fluid behavior, enabling optimized designs and informed decision-making. The software facilitates foresight by predicting system performance, optimizing drilling techniques, and maximizing reservoir management strategies. Moreover, CFD optimizes equipment design, increases operational efficiency, and reduces costs through virtual testing, eliminating the need for costly physical prototypes. The application of CFD aligns with the United Nations Sustainable Development Goals (SDGs), promoting energy efficiency, climate action, responsible production, and sustainable consumption. It addresses flow assurance challenges, enhances safety protocols, and mitigates environmental impacts. CFD is a powerful tool driving innovation, resilience, and sustainability within the oil and gas industry, ensuring a more efficient, safe, and environmentally conscious future. As advancements in CFD methodologies continue, the potential for further enhancements and breakthroughs within the sector becomes even more promising, driving the industry towards a sustainable and prosperous future.

The alternating stress caused by periodic high-pressure injection and extraction in gas storage can potentially induce fault slippage, compromising the sealing integrity of faults within these facil-ities. Understanding the mechanical behavior of faults under alternating stress is crucial for en-suring the long-term stability and safety of gas storage operations. To explore the impact of fault dip angle and fault gouge strength on fault slip characteristics, fault samples were prepared with uniaxial compressive strengths of 20.1, 30.2, 42.4, and 51.4 MPa at two distinct dip angles. Triaxial compression experiments were conducted under alternating stress conditions corresponding to operational pressures at a specific gas storage in China. Results indicate that faults with dip angles of 30° and 45° tend to fail at their weakest points. Increasing strength of fault gouge shifts failure mechanisms from interfacial failure between gouge and surrounding rock towards internal gouge failure, often accompanied by shear failure across sections, resulting in characteristic "X"-shaped conjugate shear failures. The decrease in the ratio of bedrock strength to fault gouge strength elucidates the observed phenomena of initial reduction followed by increased fault deformation. Transition points for faults with 30° and 45° dips occur around the strength ratios of 1.7/1 and 1.2/1, respectively. Fault damage exhibits a negative correlation with fault gouge strength and a positive correlation with fault dip angle. Samples with higher strength fault gouge at a 30° dip angle generally incur less damage compared to those with lower strength fault gouge at a 45° dip angle. Moreover, higher maximum static friction coefficients denote greater fault resistance to slipping, with 30° faults consistently demonstrating superior resistance compared to 45° faults. Additionally, higher strength fault gouge consistently enhances slip resistance under identical dip angles.

Ultrasonic transducers are widely used for non-destructive testing (NDT) and evaluation in various industries. While capacitive micromachined ultrasonic transducers (CMUTs) have emerged as significant novel transducers, their application in NDT has been limited. This study designed and fabricated a novel two-element CMUT device for NDT applications. The CMUT’s structural parameters were introduced, and the device was fabricated using silicon fusion wafer-bonding technology. The transducer’s sensitivity, bandwidth, and pulse-echo response performance were tested and analyzed. Testing with aluminum blocks demonstrated that the two-element transducer can transmit and receive ultrasonic waves, with central operating frequencies of 3.35 MHz. In addition, at 3.4 MHz, the receive sensitivities of both elements were –197.434 dB and –197.413 dB, respectively, meeting the requirements for NDT systems. In pulse-echo response testing, the CMUT successfully detected signals from the aluminum block interface and located the interface’s position. This study highlights the potential of CMUTs for NDT testing and evaluation applications.

In the process of oil and gas development and production, when the flow rate in the wellbore is large, the materials underground will be eroded, causing the operation to be unable to proceed smoothly and reducing the efficiency of oil and gas production. Therefore, optimizing the anti-erosion coating under high-speed flow conditions in wellbore is a very interesting thing. It can greatly improve operational efficiency. In this paper, laser cladding was used to prepare the new coating used in the PDC drill bit. Then, the effects of tungsten carbide and multi-layer graphene on the microstructure and properties of the tungsten carbide coating were studied. The research results indicate that, for new coatings, 60% tungsten carbide and 0.3% graphene are the optimal ratios. After adding WC, the hardness has significantly improved. However, when the WC content further increases more than 30%, the increase in hardness is relatively small. In addition, when the content of graphene is more than 0.3%, the branched structure became thicker, and not only the segregation of Cr, Si and W became very obvious again, but also the segregation of Fe occurred at the Ni enrichment site. The research results contribute to improving oil and gas production and operational efficiency under high-speed fluid flow conditions in the wellbore.

Emphasizing the importance of acoustic attenuation in maintaining compliance with stringent noise regulations and enhancing workplace safety, the analysis covers the theoretical and practical aspects of sound attenuation in a turboengine testing stand. This paper presents a preliminary analysis and also an evaluation of a procedure for projecting a noise attenuator for industrial application and especially for turboengine test stands. While primarily focusing on the static acoustic behavior of the attenuator, considerations were also made regarding flow dynamics, Mach number-dependent attenuation, pressure drop, and self-generated noise aspects to provide a comprehensive perspective in selecting the optimal design configuration. The study investigates different calculation methods for assessment of the noise reduction for linear and staggered baffles, applied on a scaled reduced model of attenuator. Thus, the critical parameters and projecting requirements necessary for effective noise reduction in high-performance turboengine testing environments will be evaluated in a down-scaled model. Key factors examined include the selection of design parameters and configurations from various options. Advanced computational methods, like analytic and finite element analysis (FEM) are utilized to predict the acoustic performance and identify potential design optimizations. Experimental validation is performed to corroborate the simulation results, ensuring the reliability and efficiency of the attenuator. The findings indicate that a well-designed sound attenuator module can significantly reduce noise levels without compromising the operational performance of the turboengine inside a test cell.

Currently, there is a high interest in smart sensors and integrated composite materials in various industries such as construction, aviation, automobile, medical, information technology, communication, and manufacturing. Here, a new conceptual design for a force and temperature sensor system is developed by integrating fiber optic Bragg grating sensors embedded within composite materials, and a mathematical model is proposed that allows one to estimate strain and temperature based on signals obtained from optical Bragg gratings. This is important for understanding the behaviors of sensors under different conditions and for creating effective monitoring systems. Describing the strain gradient distribution, especially considering different materials with different values of Young's modulus, provides insight into how different materials respond to applied forces and temperature changes. The shape of the strain gradient distribution was obtained, which is a quadratic function with a maximum value of 1500 µ, with a maximum value at the center of the lattice and a symmetrically decreasing strain value with distance from the central part of the fiber Bragg grating. With axial strain at the installation site of the Bragg grating sensor under applied force values ranging from 10 to 11 N, the change in strain was linear. As a result of theoretical research, it was found that the developed system with fiber-optic sensors based on Bragg gratings embedded in composite materials is resistant to external influences and temperature changes.

This study investigates the performance and environmental impact of n-butanol blended with Jet-A fuel in turbo-engines, aiming to assess its viability as a sustainable aviation fuel (SAF). The research involves experimental testing of various blends, ranging from low to high concentrations of methanol, to determine their effects on engine performance and emissions. The experimental setup includes comprehensive measurements of engine parameters such as thrust, fuel consumption rates, and exhaust gas temperatures. Emissions of nitrogen oxides (NOx), particulate matter (PM), carbon monoxide (CO), and unburned hydrocarbons (HC) are also analysed to evaluate environmental impacts. Key findings indicate that n-butanol/Jet-A blends can significantly enhance combustion efficiency and reduce emissions compared to conventional Jet-A fuel. Higher n-butanol concentrations lead to improved thermal efficiency and lower NOx and CO emissions. However, PM emissions slightly increase with higher methanol content. The study underscores the potential of n-butanol as a SAF for turbo-engines, highlighting its ability to mitigate environmental impacts while maintaining or improving engine performance. This research supports the feasibility of integrating n-butanol into Jet-A blends for turbo-engine applications, emphasizing its role in achieving more environmentally friendly aviation operations.

Light is a crucial environmental factor that influences the phenotypic development of plants. Despite extensive studies on the physiological, biochemical, and molecular mechanisms of the impact of light on phenotypes, genetic investigations regarding light-induced transgenerational plasticity in Arabidopsis thaliana remain incomplete. In this study, we used Arabidopsis thaliana as the material, then gathered phenotypic data regarding leaf number and plant height under high- and low-light conditions from two generations. In addition to the developed genotype data, a functional mapping model was used to locate a series of significant SNPs. Under low-light conditions, a noticeable adaptive change in the phenotype of leaf number in the second generation suggests the presence of transgenerational genetic effects in Arabidopsis thaliana under environmental stress. Under different lighting treatments, 33 and 13 significant genes associated with transgenerational inheritance were identified, respectively. These genes are largely involved in signal transduction, technical hormone pathways, light responses, and the regulation of organ development. Notably, genes identified under high-light conditions more significantly influence plant development, whereas those identified under low-light conditions focus more on responding to external environmental stimuli.

The No. 3 coal seam in the Yuxi Coal Mine has a measured maximum gas content of 25.59 m3/t, along with a maximum gas pressure of 2.9 MPa, indicating its high risk to gas and outbursts. To mitigate outburst risks of the coal seam, the 1301 working face has been implemented gas pre-drainage measures by grid boreholes from underlying roadways. After one year of extraction, it was confirmed that the gas content at all 33 test sites was below 8 m3/t, meeting the outburst prevention standards. However, during subsequent coal tunnel excavation, the gas desorption index K1 value frequently exceeded the standard, resulting in numerous occurrences of abnormal gas emission or small-scale outbursts. To tackle the challenges associated with safe excavation following the first round regional outburst prevention measures, a research and industrial trial of CO2 gas fracturing(CO2-Frac) technology for secondary outburst prevention and rapid excavation was completed. Results show that the dual-hole and high-pressure (185MPa) CO2-Frac considerably contribute to outburst prevention. K1 exceedances per hundred meters of tunnel excavations were from average 2.54 without CO2-Frac to average 0.28 after the new technology being implemented, leading to a eight fold reduction. Additionally, the monthly excavation footage increased from average 81.64 m without CO2-Frac to average 162.42 m with CO2-Frac, resulting in a 2-fold improvement. The dual-hole and high-pressure CO2-Frac is an advanced technology for safe and efficient excavation for secondary outburst elimination in highly outburst-prone coal seams in the Yuxi Coal Mine, with potential for widespread application in similar coal seam conditions.

Refractory materials are used worldwide in process equipment. However, gaseous and liquid process products penetrate the surface layer, and deep into the volume of refractories destructing rather expensive constructions complicated to repair. To address this challenge, there is a need to develop protective coatings for refractory that can limit the penetration of working media and extend their operational lifespan. In this work, the application of gas-dynamic cold spraying (CGDS) to produce a coating on the refractory using fine titanium dioxide (TiO2) particles is explored. These particles are accelerated within a nitrogen flow, passing through a Laval nozzle, and then sprayed onto a fireclay surface. The mechanisms of particle deposition and layer formation on porous surfaces through experiments and numerical simulations were investigated. The geometry of a typical refractory pore was determined, which was then incorporated into Computational Fluid Dynamics (CFD) simulations to model the cold spraying process of porous substrates. As a result, the influence of the particle size on its velocity and angle of penetration into pores was established. Experimental findings demonstrate the effective closure of pores and the formation of a particle layer on the refractory surface. Furthermore, the nanoindentation tests for the refractory samples showcase capabilities for checking coating thickness for porous materials.

This study aims to investigate the interfacial tension, emulsion stability, and the impact on oil displacement effectiveness of mixed systems containing nonionic surfactants and amphoteric surfactants at different ratios. To achieve this, three different emulsion stability formulations were prepared by mixing betaine and nonionic surfactants in ratios of 1:1, 3:2, and 3:1 respectively. By adjusting the proportions of betaine and nonionic surfactants, variations in interfacial tension and emulsion formation among the three mixed systems were studied to analyze the mechanism of interaction between betaine and nonionic surfactants and evaluate their effects on crude oil displacement and enhanced oil recovery in reservoirs. Subsequently, microscopic and macroscopic oil displacement experiments were conducted on the three mixed systems, along with experiments on emulsion flow resistance. The aim was to verify the oil displacement effectiveness of different mixed systems and further understand their potential applications in reservoirs. By comprehensively analyzing the experimental results, optimal ratios and conditions for the mixed systems were determined. The experimental results indicate that the emulsification system formed by mixing betaine and nonionic surfactants at a ratio of 3:1 achieves molecular synergies through electrostatic interactions and mixed adsorption with betaine, resulting in a compact arrangement of interface membranes and demonstrating a synergistic effect in reducing interfacial tension to an ultra-low value of 10 -4 mN/m. Additionally, as the proportion of betaine surfactant increases, the viscosity of the aqueous phase liquid film increases, the rate of thinning of the liquid film slows down, the rate of water release slows down, and the stability of the emulsion increases. Microscopic oil displacement experiments verified that the three mixed systems increase oil washing efficiency through low interfacial tension and emulsification stripping action, thereby increasing the oil displacement mechanism's coefficient. Emulsion flow resistance experiments demonstrated that as the proportion of betaine surfactant increases, the system exhibits better plugging ability. However, macroscopic oil displacement experiments revealed differences in compatibility between different emulsion stability solutions and rocks with different permeabilities. The mixed system of betaine and nonionic surfactants at a ratio of 3:1 exhibits the best emulsification plugging ability in rocks with a permeability of 109mD, while the 1:1 mixed system performs best in rocks with a permeability of 12mD. This holds significant theoretical and practical significance for reservoir development and enhanced production.

It is imperative to conduct experimental studies on the seepage behavior of gas-bearing coal under cyclic dynamic loading conditions. This paper focuses on the evolution of coal permeability under the combined effects of dynamic loading, static loading, and gas adsorption. The principal conclusions are as follows. (1) As the frequency and amplitude of dynamic loading increase, the development of pore and fissure structures within the coal body becomes increasingly pronounced during dynamic loading cycles, resulting in a gradual rise in permeability. Notably, as the coal approaches its yielding stage, the permeability can increase by up to 47%. (2) The permeability curve is divided into four regions: the compaction reduction zone, the oscillation zone, the gradual recovery zone, and the abrupt increase zone of failure. Ultimately, in the failure phase, the permeability surges dramatically, potentially reaching 4 to 5 times the initial permeability. (3) When the static load stage is constant, the rate of change in permeability of the coal under dynamic loading decreases with increasing adsorption amount. When the adsorption amount is constant, the rate of change in permeability of the coal under dynamic loading increases with the increase in static load stress stage, with the maximum increase reaching 75.2%. It can be concluded from the rate of change in permeability and the dynamic loading sensitivity coefficient that the permeability of the coal is highly sensitive to cyclic dynamic loading, with increased sensitivity associated with larger static load stages and decreased sensitivity with greater adsorption amounts.

Predicting the outcome of a future game between two National Basketball Association (NBA) teams poses a challenging problem of interest to statistical scientists as well as the general public. In this article, we formalize the problem of predicting the game results as a classification problem and apply the principle of maximum entropy to construct NBA maximum entropy (NBAME) model that fits to discrete statistics for NBA games, and then predict the outcomes of NBA playoffs by the NBAME model. The best NBAME model is able to correctly predict the winning team 74.4 percent of the time as compared to some other machine learning algorithms which is correct 69.3 percent of the time.

Huperzine A is an herbal reversible inhibitor of Acetylcholinesterase (AChE). A molecular docking analysis on Huperzine A molecule has been carried out to understand its structure, conformational flexibility, intermolecular interaction and the binding affinity in the active site of AChE enzyme. Further, the charge density distribution of huperzine A molecule (lifted from the active site of AChE) was determined from the high level quantum chemical calculations coupled with charge density analysis. The binding affinity of Huperzine A towards AChE was calculated from the molecular docking; the lowest docked energy is -8.46 kcal/mol. In the active site, huperzine A molecule interacts with acyl binding pocket-Phe330 of AChE, that is, the bicyclo ring group of huperzine A forms an intermolecular interaction with the oxygen atom of main chain of the amino acid residue Phe330 at the distances 3.02 and 3.25 Å respectively. On the other hand, a gas phase study on huperzine A molecule also performed using HF and DFT (B3LYP) methods with the basis set 6-311G**. The molecular structure, conformation, and the charge density distribution of huperzine A molecule in the gas phase have determined using quantum chemical calculations and the charge density analysis. The comparative studies between the gas phase and the active site forms of huperzine A molecule, explicitly reveals the degree of conformational modification and the charge density redistribution of huperzine A when present in the active site. The dipole moment of the molecule in the active site is 6.85 D, which is slightly higher than its gas phase value (5.91 D). The electrostatic potential (ESP) surface of active site molecule clearly shows the strong electronegative and positive ESP regions of the molecule, which are the expected strong reactive locations of the molecule.

The erosion of surface pipelines induced by proppant flowback during shale gas production is significant. The surface pipelines in a shale gas field in the Sichuan Basin experienced perforation failures after only five months of service. To investigate the erosion features of L360N, coatings, and ceramics and optimize the selection of two protective materials, a gas-solid two-phase flow jet erosion experimental device was used to explore the erosion resistance of L360N, coating, and ceramic under different impact velocities (15 m/s, 20 m/s, and 30 m/s). An energy dispersive spectroscope, a scanning electron microscope, and a laser confocal microscope were employed to analyze erosion morphologies. With the increase in flow velocity, erosion depth and erosion rate of L360N, coating, and ceramic increased and peaked under an impact velocity of 30 m/s. Maximum erosion rate and maximum erosion depth of L360N were respectively 0.0350 mg/g and 37.5365 µm. Its primary material removal mechanism was plowing of solid particles and microcracks were distributed on the material surface under high flow velocities. Maximum erosion rate and maximum erosion depth of coating were respectively 0.0217 mg/g and 18.9964 µm. Its primary material removal mechanism was the detachment of the binder phase Co caused by plowing. Maximum erosion rate and maximum erosion depth of ceramics were respectively 0.0108 mg/g and 12.4856 µm. The erosion mechanisms were micro-cutting and plowing. Under different particle impact velocity, different erosion morphologies were observed, but the primary erosion mechanism was the same. The erosion resistance of ceramics was higher than that of coating. Therefore, ceramic lining materials could be used to protect the easily eroded parts, such as pipeline bends and tees, and reduce the failure rate by more than 93%. The study provided the data and theoretical basis for the theoretical study on oil and gas pipeline erosion and pipeline material selection.

Carbon dioxide (CO2)miscible fracturing huff and puff technology plays a pivotal role in enhancing the recovery rate of crude oil, particularly in reservoirs with challenging physical properties, strong water sensitivity, high injection pressure, and complex water injection dynamics. In this study, the oil-increasing mechanism and huff and puff effect of CO2 miscible fracturing fluid are investigated through a comprehensive experimental approach. Specifically, experiments on PVT gas injection expansion, minimum miscible pressure, and CO2 miscible fracturing huff and puff are conducted on the G fault block reservoir in J Oilfield. The findings demonstrate that injecting CO2 into reservoirs leads to oil volume expansion, viscosity reduction, and saturation pressure increase. Additionally, the inclusion of solubilizers and viscosity reducers further enhances the efficiency of crude oil extraction. Solubilizers not only improve oil recovery but also reduce the minimum miscible pressure required for effective CO2 dispersion. Furthermore, the shut-in time, permeability, and huff and puff method all have considerable impacts on huff and puff recovery rate. This study offers valuable technical insights, supporting the application of CO2 miscible fracturing huff and puff technology to enhance oil recovery in low-permeability reservoirs.

Pore structure characterization and fractal analysis have great significance for understanding and evaluating tight limestone reservoirs. In this work, the pore structure of tight limestone is characterized combined with low-temperature nitrogen adsorption (LTNA) and low-field nuclear magnetic resonance (NMR), and the fractal dimension of tight limestone pore structure is discussed based on LTNA and NMR data. The results indicate that the pores of tight limestone have H3 and H4 types, the pore size distribution (PSD) of H3 type is a wave distribution ranging from 2 to 10 nm, and the PSD of H4 type is a unimodal distribution ranging from 2 to 10 nm. The transverse relaxation time (T2) spectrum of tight limestone shows single peak (DF), double peak (SF) and three peak (TF), and the T2 spectrums for micropores, mesopores and macropores range from 0.1 to 10 ms, from 10 to 100 ms, and greater than 100 ms, respectively. The LTNA fractal dimension of tight limestone (DL) ranges between 2.4446 and 2.7688, with an average of 2.5729, and the NMR fractal dimensions of micropores (DNMR1), mesopores (DNMR2) and macropores (DNMR3) are distributed between 0.3744 to 1.1293, 2.4263 to 2.9395 and 2.6582 to 2.9989, respectively. Moreover, there is no correlation between fractal dimension and permeability and porosity, a negative correlation between DL and average pore radius, a positive correlation between DL and specific surface area, and a positive correlation between DNMR2 and DNMR3 and micropore content, while DNMR2 and DNMR3 are negatively correlated with the content of mesopores and macropores.

The Chikungunya virus (CHIKV) poses a significant global public health concern, especially in Africa. Since its first isolation in Tanzania in 1953, CHIKV has caused recurrent outbreaks, challenging healthcare systems in low-resource settings. Recent outbreaks in Africa highlight the dynamic nature of CHIKV transmission and the challenges of underreporting and underdiagnosis. Here, we review literature and analyze publicly available cases, outbreaks, and genomic data providing insights into the epidemiology, genetic diversity, and transmission dynamics of CHIKV in Africa. Our analyses reveal the circulation of geographically distinct CHIKV genotypes, with certain regions experiencing a disproportionate burden of disease. Phylogenetic analysis of sporadic outbreaks in West Africa suggests repeated emergence of the virus through enzootic spillover, which is markedly different from inferred transmission dynamics in East Africa, where the virus is often introduced from Asian outbreaks, including the recent reintroduction of the Indian Ocean lineage from the Indian subcontinent to east Africa. Furthermore, there is limited evidence of viral movement between these two regions. Understanding the history and transmission dynamics of outbreaks is crucial for public health planning. Despite advances in surveillance and research, diagnostic and surveillance challenges persist. This review and secondary analysis highlight the importance of ongoing surveillance, research, and collaboration to mitigate the burden of CHIKV in Africa and improve public health outcomes.

This paper addresses the lack of analytical tools for visual data analysis in IEEE Xplore, an abstract database of publications on technical problems in electronics and electrical engineering. The openness of the platform and the good fillability of a large number of bibliometric record fields make it attractive for visual data analysis. The topic of machine learning and artificial intelligence applied to power systems, which are critical issues in the energy transition process, is chosen as an example for visual data analysis. The programs and utilities used for data analysis were VOSviewer, Scimago Graphica, FP-Growth algorithm, Inkscape, and MultiDendrograms. The use of IEEE Terms field data to identify publication topics in the exported data is analyzed in the most comprehensive way. This paper can be considered a reference for professionals interested in bibliometric analysis and visualization of IEEE Xplore data.

Objectives. The aim of the study is to identify relevant research topics based on pooled bibliometric data of International Journal of Hydrogen Energy publications from 2022-2024, collected from The Lens and ScienceDirect platforms. Data source. Bibliometric records of International Journal of Hydrogen Energy articles published in 2022-2024 from The Lens and ScienceDirect platforms were used. Programs and utilities used. VOSviewer, Scimago Graphica, Inkscape, FP-growth utility. Results. The study showed the feasibility of merging bibliometric records from the open platforms ScienceDirect and The Lens, which complement each other. The 'Fields of Study' data of The Lens can be rationally interpreted as system keywords similar to Scopus Index Keywords. The possibility of using 'Fields of Study' data in a method similar to bibliographic coupling is shown. The practicality of using an Alluvial diagram to show the co-occurrence of the four terms was demonstrated. The study also emphasizes the advisability of joint use of VOSviewer and Scimago Graphica programs for complex visualization of bibliometric analysis results. The study identified two dominant publication topics in International Journal of Hydrogen Energy for 2022-2024, which can be described in terms of: 'Catalysis, Hydrogen, Physical_chemistry, Chemical_engineering, Nanotechnology, Electrochemistry, Organic_chemistry, Materials_science' and 'Electrical_engineering, Hydrogen_production, Renewable_energy, Environmental_science, Hydrogen_economy, Hydrogen, Engineering'.

Objectives. The aim of this study was to demonstrate the ability to visualize the results of the Scilit platform's bibliometric data analysis on the topic "AI & Machine Learning" to identify publications reflecting specific issues of the topic. Data source. Bibliometric records exported from the Scilit platform on the topic "AI & Machine Learning" for the years 2021–2023 were used. For each year, 6,000 records were downloaded in CSV and RIS format. Programs and utilities used. VOSviewer, Scimago Graphica, Inkscape, FP-growth utility, GSDMM algorithm. Used services: Elicit, QuillBot, Litmaps. Results. It has been shown that bibliometric data from the open access abstract database Scilit can serve as a quality alternative to subscription-only databases. Data exported from the Scilit platform require preprocessing to make them available in a format that can be processed by programs such as VOSviewer and Scimago Graphica. The use of GSDMM and FP-growth algorithms is effective for structuring bibliometric data for further visualization. The Scimago Graphica software provides wide possibilities for building compound diagrams, in particular, for representing the network of keywords in such important coordinates for bibliometric analysis as average year of publication and average normalized citation, as well as for building an alluvial diagram of co-occurrence of more than two keywords. The possibility of using such services as elicit.com, quillbot.com and app.litmaps.com to accelerate the selection of publications on the topic under study is shown.

Background. Keyword co-occurrence analysis is a crucial tool for comprehending research trends, identifying relevant studies, and gaining insight into the connections between various concepts and topics. Objective. This study focuses on analyzing the co-occurrence of keywords using FP-growth algorithm and direct search methods. Materials and methods. The methodology involved extracting bibliometric data of Energies journal for 2023-2024 from MDPI publisher platform, keyword lemmatization and keyword co-occurrence estimation. Clustering and visualization were performed using Multidendrograms and Scimago Graphica software. Results. The results showed that the FP-growth algorithm can achieve a close match with the direct search results, which facilitates data preparation for clustering. In addition, finding the co-occurrence of three or more keywords significantly reduced the number of possible combinations, which allowed the identification of specific research topics. Conclusions. This study highlights the usefulness of the FP-growth algorithm in keyword analysis and provides insights into ways to refine search queries to abstract databases for the purpose of designing and writing literature and systematic reviews.

Relevance of the subject. Keyword selection is critical to finding relevant literature and requires justification for querying abstract databases and other sources to ensure accuracy and completeness. The topic of Energy Systems is of great importance due to the introduction of renewable energy sources, modern control methods, and complex energy systems during the energy transition. The aim of this study. The goal of this paper was to identify keywords that would be useful to subject matter experts when collecting literature on a particular topic, based on entries in the IEEE Terms field. Data. Bibliometric data were exported from the IEEE Xplore platform in the following order: for 2019-2023, 2000 records sorted by relevance, for 2024, 1680 records current as of April 11, 2024. Analytical methods applied and software used. VOSviewer, Scimago Graphica implementing the Clauset-Newman-Moore algorithm and agglomerative hierarchical clustering method implemented in Multidendrograms. Results. The main issues of the Energy Systems topic are presented in tabular and graphical formats. The fpgrowth utility offers flexible data preparation options, which makes it worthwhile to conduct a separate study to analyze the score of co-occurrence terms given by its algorithm.

Purpose of publication: - Preparation of bibliometric data exported from the Scilit platform on energy efficiency and conservation for further analysis to identify relevant research topics. - To identify potential issues in the processing of data exported from the Scilit platform. - Providing colleagues with the opportunity to use the prepared data and examples of their analysis for independent research on topical issues of energy efficiency and energy conservation using materials provided by the Scilit platform. Research Materials: Files in CSV and RIS formats exported from Scilit for the query "energy conservation OR efficiency" in Common Fields [Title, Abstract, Keyword], using filters: Content Type → Journal Article; Year→2021-2023; Subject → Industrial Engineering (29.8K), Energy and Fuel Technology (9.8K), Manufacturing Engineering (9.2K). A total of 30K records sorted by their relevance (10K for each year) were exported. Data are current as of 14-03-2024. Methods: Preprocessing of title, annotation, and keyword field texts using lemmatization dictionaries collected on GitHub, removal of keywords taken from GATE and spaCy, and "manual" editing. Using VOSviewer to analyze publication topics by clustering keywords based on their co-occurrence. Using Scimago Graphica to build bubble diagrams.Application of the GSDMM algorithm for clustering bibliometric records by title and annotation texts. Creation of a dictionary for this algorithm using the keyword field.Use of the Carrot2 demo version and the NMF algorithm for a more detailed analysis of the topics of the record clusters obtained from GSDMM. Results: are presented in the form of initial and interim tables and graphs obtained in the course of this study. The full tables are provided as references to the attached materials. Supplementary material for this preprint on figshare: Chigarev, Boris (2024). Supplementary material for preprint "Analyzing the Possibilities of Using the Scilit Platform to Identify Current Energy Efficiency and Conservation Issues". figshare. Dataset. https://doi.org/10.6084/m9.figshare.25574058.v1

Heart attacks and strokes are one of the leading causes of death in the world today, and heart attacks caused by clogged arteries that carry blood to the heart muscle are a significant part of these strokes. These are caused by the accumulation of fat particles in the walls of the arteries and the reduction of blood flow through it over a long process. The process of fat penetration in the underlying layers of the Artery wall has been the focus of many researchers, and various researches and Simulations have been done on it, in each of them, the effect of specific parameters has been considered. In the present study, the effect of blood flow rate on the flow pattern in a bifurcate artery with two ducts has been investigated using FLUENT software with Computation fluid dynamic Method. The effect of the angle between the two ducts of the Artery on the flow pattern has been investigated.

We describe a forecast system based on the Weather Research and Forecasting (WRF) model for the prediction of high-impact weather events affecting power utilities, particularly conditions conducive to wildfires. The system was developed for Pacific Gas and Electric Corporation (PG&E) to operationally forecast conditions in Northern and Central California. It was established in 2014 and has been periodically improved. In the current configuration, WRF forecasts are routinely performed multiple times each day on a 2-km grid, and the results are used as input to wildfire fuel moisture, fire probability, and wildfire spread models. Components of the system include a stochastically perturbed ensemble; an annually updated reanalysis covering more than 30 years; and validation against PG&E’s extensive mesonet and other observing networks. We describe the development and validation of the next operational edition. Configurations tested include irrigation triggered by crop growing season and an ensemble-based approach with intelligently sub-selected Global Ensemble Forecast System (GEFS) members. The latter approach allows for enhanced uncertainty sampling in WRF forecasts and can greatly improve WRF forecasts when calibrated by observations.

Interpore hydrates are the main occurrence forms of marine gas hydrates. Pore characteristics are a vital factor affecting the thermodynamic properties of hydrates and their distribution in sediments. Currently, the characterization of the pore system for hydrate-bearing reservoirs are little reported. Therefore this paper focus on the Krishna-Godavari Basin, via varies methods to characterize the hydrate-bearing sediments in the region. The results showed that X-ray Diffraction(XRD) combined with Scanning Electron Microscope (SEM)and Cast Thin Section (CTS) can better characterize the mineral composition in the reservoir, High Pressure Mercury Injection (HPMI) focused on the contribution of pore size to permeability, Constant Rate Mercury Injection(CRMI) had the advantage of distinguishing between pore space and pore throat, and Nuclear Magnetic Resonance Cryoporometry (NMRC) technique can not only obtain the pore size distribution of nanopores with a characterization range greater than Nitrogen Gas Adsorption (N2GA), but also quantitatively describe the trend of fluids in the pore system with temperature. As for pore system, Samples 58 and 68 all developed nanopores, the mineral distribution was relatively scattered, and they were rich in paleontological shells such as foraminifera, among which Sample 68 had more pyrite content, and abundant pyrite framboid was observed, which made the intergranular pore develop and provide more nanopores. Sample 58 has a high concentration of pore and throat, high pore connectivity, low pore curvature, and pores with a diameter of 10μm contributing to the main permeability, with an average pore radius of 2.495μm, whereas Sample 68 has poor pore connectivity, high curvature, and pores with a diameter of 1μm contributing to the main permeability, with an average pore diameter of 60 nm, which explains the obvious difference in permeability between the two samples.

Optimal control is a critical tool for mechanical robotic systems, facilitating precise manipulation of dynamic processes. These processes are described through differential equations governed by a control function, addressing a time-optimal problem with bilinear characteristics. Our study utilizes the classical approach complemented by Pontryagin's Maximum Principle (PMP) to explore this inverse optimal problem. The objective is to develop an exact piecewise control function that effectively manages trajectory control while considering the effects of viscous friction. Our simulations demonstrate that the proposed control law markedly diminishes oscillations induced by boundary conditions. This research not only aims to delineate the reachability set but also strives to determine the minimal time required for the process. The findings include an exact analytical solution for the stated control problem.

In the global carbon cycle, atmospheric carbon emissions, both ‘natural’ and anthropogenic, are balanced by carbon uptake (i.e. sequestration) that mostly occurs via photosynthesis, plus a much smaller proportion via geological processes. Since the formation of the Earth about 4.54 billion years ago the ratio between emitted and sequestered carbon has varied considerably with atmospheric CO₂ levels ranging from 100,000 ppm to a mere 100 ppm. Over this time, a huge amount of carbon has been sequestered due to photosynthesis and essentially removed from the cycle, being buried as fossil deposits of coal, oil and gas. Relatively low atmospheric CO₂ levels were the norm for the past 10 million years, and during the past million years they averaged about 220 ppm. More recently, the Holocene epoch, starting ~11,700 years ago, has been a period of unusual climatic stability with relatively warm, moist conditions and low atmospheric CO₂ levels of between 260 and 280 ppm. During the Holocene, stable conditions facilitated a social revolution with domestication of crops and livestock leading to urbanisation and development of complex technologies. As part of the latter process, immense quantities of sequestered fossil carbon have recently been used as energy sources, resulting in a particularly rapid increase in CO₂ emissions after 1950 CE to the current value of 424 ppm, with further rises to >800 ppm predicted by 2100. This is already perturbing the previously stable Holocene climate and threatening future food production and social stability. Today, the global carbon cycle has been shifted such that carbon sequestration is no longer keeping up with recent anthropogenic emissions. In order to address this imbalance it is important to understand the roles of high-capacity carbon sequestration systems, such as natural forests and tropical croplands, and to devise strategies to facilitate net CO₂ uptake.

Nanoporous membranes promise energy-efficient water desalination. Hexagonal boron nitride (h-BN), like graphene, exhibits outstanding physical and chemical properties, making it a promising candidate for water treatment. We employed Car–Parrinello molecular dynamics simulations to establish accurate modeling of Na+ and Cl- permeation through hydrogen passivated nanopores in graphene and h-BN membranes. In these complex systems the classical potentials cannot properly account for the physics at play. We demonstrate that ion separation works well for the h-BN by imposing a barrier of 0.13 eV and 0.24 eV for Na+ and Cl- permeation respectively, compared to the graphene where the Cl- ion faces a negative barrier of 0.68 eV and is prone toward blockade and Na+ permeation is associated with a slightly negative barrier of 0.03 eV. From the change in the solvation shell, we get the following trend: Na/h-BN > Na/G > Cl/G > Cl/h-BN. We argue that the trend in the permeation barrier changes to Cl-h-BN > Na-h-BN > Na-G > Cl-G due to a combination of several interactions, including the distortion of the water network induced by the ions, the ion-water interaction, and the ion-nanopore interaction. Overall, the desalination performance of h-BN surpasses that of their graphene counterparts.

With the offshore oil-gas fields entering decline phase, high-efficiency separation of oil-gas-water mixtures becomes a significant challenge. As essential equipment for separation, the three-phase separators play a key role in Offshore Oil-Gas production. However, level control is critical in the operation of three-phase gravity separators on offshore facilities, as it directly affects the efficacy and safety of the separation process. This paper introduces an advanced deep deterministic policy gradient with adaptive learning rate weights (ALRW-DDPG) control algorithm, which improves the convergence and stability of the conventional DDPG algorithm. An adaptive learning rate weight function is meticulously designed, and an ALRW-DDPG algorithm network is constructed for simulating three-phase separator liquid level control. The effectiveness of the ALRW-DDPG algorithm is subsequently validated through simulation experiments. The results show that the ALRW-DDPG algorithm achieves a 15.38% improvement in convergence rate compared to the traditional DDPG algorithm, and the control error is significantly smaller than that of PID and DDPG algorithms.

Accurate diagnosis for the 400 million people with rare diseases is critical for healthcare decisions, prognosis, understanding disease mechanisms, and identification of treatments. Despite advances in genome sequencing, barriers such as high interpretation costs, diagnostic expertise, throughput associated delays, and uncertain variant classifications persist, with demand exceeding capacity. Many variant classification methods focus narrowly on specific consequences, leading to the use of complex integrative pipelines that often overlook transcript variability and lack prediction transparency. To overcome these limitations, we introduce DITTO. This transparent, transcript-aware machine-learning method demonstrates superior overall performance in accuracy, recall, and precision when compared to existing tools. DITTO is publicly available at https://github.com/uab-cgds-worthey/DITTO

The soil-structure interaction represents an important parameter when analyzing the dynamic behavior of bridges, taking into account the integration between soil, foundation, and structure to ensure an adequate structural representation. In this paper, a computational modeling strategy using soil-structure interaction (SSI) methodology was applied to represent the dynamic behavior of a pedestrian bridge (LOP). The computational models were validated using monitoring results from an extensive structural health monitoring campaign. The bridge monitoring program was characterized using embedded sensors and cutting-edge technology for remote monitoring: ground-based radar interferometry and video motion amplification. The instrumentation results were compared to establish the capabilities and advantages of this novel remote monitoring technique. The experimental results obtained from free and forced vibrations in the asset served as a basis for validating the developed computational model and allowed evaluating the asset be-havior in service for different loading conditions. This paper emphasizes the SSI approach to represent the pedestrian bridge dynamic behavior more accurately, allowing computational models to represent the LOP structural responses over the course of its life-cycle.

The article presents the results of the technical-economical study regarding the optimization of the FDM parameters (Lh – the height of the layer deposited in one pass and Id – the filling percentage) for the manufacture of PETG and ASA parts. To carry out the technical-economical study, we used the fundamental principle of value analysis, which consists in maximizing the ratio between Vi/Cp, where Vi - represents the mechanical characteristic, and Cp - represents the production cost. The results of the study show that for the tensile specimens made of PETG, the parameter that significantly influences the results of the Vi/Cp ratios is Lh, and in the case of the compression specimens made of PETG, the parameter that significantly influences the results of the Vi/Cp ratios is Id. In the case of specimens manufactured by FDM from ASA, the parameter that decisively influences the results of the Vi/Cp ratios of the tensile and compression specimens is Id – the filling percentage. By performing optimization of the process parameters with multiple responses, we identified the optimal parameters for FDM manufacturing of parts from PETG and ASA: Lh = 0.20 mm and Id = 100%.

This study aims to determine the optimal configuration (position and operation duration) for wall mounted mechanical mixers based on the comparison of three-dimensional computational fluid dynamics (CFD) modelling results and physical data collected from the treatment plant. A three-dimensional model of anoxic zone 1, 2 and 3 of Northern Wastewater Treatment Plant (WWTP) located at Cairns Regional Council, Cairns, Queensland, Australia was developed and validated. The model was used to simulate the flow pattern of the WWTP and the simulation results are in good agreement with the physical data varying between 0% to 15% in key locations. The anoxic zones were subject to velocities less than the desired 0.3 metres per second however results for suspended solids concentration indicate that good mixing is being achieved. Results for suspended solids concentrations suggest that the anoxic zones are towards the upper limits recommended by literature for specific power dissipation. The duration for operation of mechanical mixers was investigated and identified that the duration could be reduced from 900 seconds down to 150 seconds. Alternative mixer positioning was also investigated and identified positioning which would increase the average flow velocity with decreased duration (150 seconds). The study identified that Council may achieve savings of $24,000 per year through optimisation of the mechanical mixers.

This study investigated the efficiency of scale-propellers, typically used on small drones. A scale-propeller is accepted as having a diameter of 7 to 21 inches. The Ukraine War has demonstrated the utility of relatively small, low-cost first-person view (FPV) drones, which are attritable. This investigation outlines the development of a MATLAB optimisation code, based on minimum induced loss propeller theory, which calculates the optimal chord and twist distribution for a chosen propeller operating in known flight conditions. The MATLAB code includes a minimum Reynolds number functionality, which provides the option to alter the chord distribution to ensure the entire propeller is operating above a set threshold value of Reynolds (>100,000), as this has been found to be a transition point between low and high section lift-to-drag ratios. Additional functions allow plotting of torque and thrust distributions along the blade. The results have been validated on experimental data taken from an APC ‘Thin Electric’ 10” x 7” propeller, where it was found that both the chord and twist distributions were accurately modelled. The MATLAB code resulted in a 16% increase in the maximum propulsive efficiency. Further work will investigate a direct interface to SolidWorks to aid rapid propeller manufacturing capability.

In order to establish the formation patterns of the Co–Mg oxide system, samples with different Co:Mg ratios and heat treatment temperatures were synthesized and studied. Study of the sam-ples confirmed the phase transition of MgxCo2–xO4 spinels into corresponding solid solutions at 800–900 °C. The similarity of formation patterns for different compositions is shown. The rock-salt oxide in low-temperature samples is an anion-modified paracrystalline phase that forms a “true” solid solution only upon spinel decomposition. TPR profiles of decomposed Co3O4 spinel show surface Co3O4 peaks and a wide peak corresponding to well-crystallized CoO, while par-tial Co3O4 TPR up to 380 °C results in dispersed and amorphous CoO. High-temperature non-stoichiometric samples are poorly reduced, indicating their low oxygen reactivity. Spinel reoxidation after heat treatment to 1100 °C by calcination at 750 °C showed complete regenera-tion for MgCo2O4–Co3O4 samples and its absence in case of an excess of MgO relative to stoi-chiometry. Based on the data obtained, it can be concluded that the processes governing the formation of Co–Mg oxide systems are determined by both Co:Mg ratio and the heat treatment conditions, potentially providing the possibility of fine tuning for specific catalytic processes.

With the application of high-precision, enormous rotating equipment and the addition of harsh working conditions, the advantages of dry gas sealing technology are increasingly obvious. Herein, research on the dynamic stability of dry gas seals is reviewed based on their operating mechanism. The influence of the dry gas seal structure, vibration response, and dynamic followability on the reliability of the shaft end sealing system of rotating machinery is the focus of current dry gas sealing technology. This work reviews the research history; analyzes the key coefficient of instability of the sealing system under external disturbances and the existing research on stability models; discusses the influence of starting and stopping characteristics, working conditions, and groove parameters on the stability of dry gas seals; and points out the shortcomings in the existing research. In addition, potential developments in dynamic stability are proposed, including improving model accuracy, improving experimental techniques, or applying intelligent control and optimization methods to enhance the dynamic stability of the sealing system. Finally, the development prospects for dry gas sealing technology in intelligent monitoring and wide temperature range adaptations are discussed, and theoretical guidance for improving the dry gas seal system is provided.

This research will investigate how heat treatments affect the behaviour of 3D printed gears made from Polyamide 6 (PA6), a thermoplastic polymer with excellent mechanical properties. However, imperfect structures can result from the 3D printing process, which involves rapid cooling of the molten polymer. Gears were manufactured from PA6 by means of a dedicated 3D printer and their behaviour in gears was then analysed by means of various specific test protocols. Some of the gears were subjected to annealing heat treatments to determine material behaviour, which was a key aspect of this study. Finite Element Analysis (FEA) was used to investigate the effect of heat treatments on the mechanical properties of PA6 thermoplastic material, specifically in the area of 3D printed gear mechanisms. The simulations included both static and transient conditions to determine the influence of different heat treatments on the mechanical properties of PA6. Through the use of comprehensive FEA, the research investigates the deformation, stress distribution and strain rates in 3D printed gears and elucidates the correlation between the mechanical properties and the contact pressure on the tooth flanks during gear operation. As conclusion the study mainly uses numerical simulations based on mechanical characteristics determined in our laboratory. The contribution of the study lies in the novelty of highlighting, through the results obtained, the influence of heat treatments on wear and mechanical stress related factors.

This work studies how the Elo rating system can be applied to score-based sports, where it’s gaining popularity, and in particular for predicting the result at any point of a game, extending its statistical basis to stochastic processes. We derive some new theoretical results for this model and use them to implement Elo ratings for basketball and soccer leagues, where the assumptions of our model are tested and found to be mostly accurate. We showcase several metrics for comparing the performance of different ratings systems and determine whether adding a feature has a statistically significant impact. Finally, we propose an Elo model based in a discrete process for the score that allows us to obtain draw probabilities for soccer matches, and has a performance competitive with alternatives like SPI ratings.

We introduce derangetropy, a novel functional measure designed to characterize the dynamics of information within probability distributions. Unlike scalar measures such as Shannon entropy, derangetropy offers a functional representation that captures the dispersion of information across the entire support of a distribution. By incorporating self-referential and periodic properties, it provides deeper insights into information dynamics governed by differential equations and equilibrium states. Through combinatorial justifications and empirical analysis, we demonstrate the utility of derangetropy in depicting distribution behavior and evolution, providing a new tool for analyzing complex and hierarchical systems in information theory.

In the domain of drug discovery and design, the acquisition of precise structural and intermolecular Kd data for biological molecules is paramount. However, conventional methods for obtaining such data are often beset by challenges including high costs, time intensiveness, and inherent limitations in scalability and diversity. This article puts forward a high-throughput approach for in silico generation of structural and intermolecular binding affinity (Kd) data, which keeps exploring the uncharted territories of drug discovery & design by harnessing computational methodologies to synthetically generate diverse datasets. Through a meticulously designed workflow encompassing molecular structural modeling, structural biophysics-based calculations of intermolecular binding affinity (Kd), this innovative methodology transcends the constraints of traditional experimentation, offering a cost-effective, scalable, and efficient alternative. By simulating molecular interactions and binding interfaces and predicting binding affinities with reasonable accuracy, this approach not only expedites the drug development process but also enables the exploration of vast molecular space, thereby facilitating the discovery of novel therapeutics beyond conventional drug modality as a form factor. Moreover, the versatility of synthetic data extends beyond virtual screening and lead optimization, encompassing applications such as dataset augmentation, model validation, and benchmarking against experimental data. This article elucidates the conceptual underpinnings, methodological intricacies, validation strategies, and potential ramifications of in silico generated data, heralding a paradigm shift in drug discovery paradigms. By fostering synergy between computational and experimental research domains, this innovative approach promises to accelerate the pace of drug discovery, enhance the robustness of predictive models, and pave the way for transformative advancements in the entire pharmaceutical industry.

An approach based on the OpenFOAM library has been developed to solve a high-speed, multicomponent mixture of a reacting, compressible flow. This work presents comprehensive validation of the newly developed solver called compressibleCentralReactingFoam with different supersonic flows, including shocks, expansion waves, and turbulence-combustion interaction. The comparisons of the simulation results with experimental and computational data confirm the fidelity of this solver for problems involving multicomponent high-speed reactive flows. The gas dynamics of turbulence-chemistry interaction are modeled using a partially-stirred reactor formulation and provide promising results to better understand the complex physics involved in supersonic combustors. A time-scale analysis based on local Damköhler numbers reveals different regimes of turbulent combustion. In the core of the jet flow, the Damköhler number is relatively high indicating that the reaction time scale is smaller than the turbulent mixing time scale. This means that the combustion is controlled by turbulent mixing. In the shear layer, where the heat release rate and the scalar dissipation rate have the highest value, the flame is stabilized due to finite rate chemistry with small Damköhler numbers and a high fraction of fine structure. This solver allows three-dimensional gas dynamic simulation of high-speed multicomponent reactive flows relevant to practical combustion applications.

We present contrast information, a novel application of some specific cases of relative entropy measures, designed to be useful for cognitive modelling of sequential perception of continuous signals. We explain the relevance of entropy in cognitive modelling of music and language. Then, as a first step to demonstrating the utility of constrast information for that purpose, we show empirically that its discrete case correlates well with existing successful cognitive models in the literature. We explain some interesting properties of constrast information. Finally we propose future work towards a cognitive architecture that uses it.

This paper proposes an enhanced Quantum Key Distribution (QKD) protocol by incorporating a Three-Dimensional Angular Momentum Representation (3D AMR) to address vulnerabilities inherent in traditional two-dimensional polarization states-based systems. The 3D AMR method expands the state space, potentially increasing security against sophisticated quantum attacks. We present a theoretical and computational framework that transitions from the conventional two-dimensional polarization to a three-dimensional angular momentum space, which inherently increases the complexity and security of the quantum states used in QKD.

Despite the role of metabolism in breast cancer metastasis, we still cannot predict which breast tumors will progress to distal metastatic lesions or remain dormant. This work uses metabolic imaging to study breast cancer cell lines (4T1, 4T07, and 67NR) with differing metastatic potential in a 3D collagen gel bioreactor system. Within the bioreactor, hyperpolarized magnetic resonance spectroscopy (HP-MRS) is used to image lactate/pyruvate ratios, while fluorescence lifetime imaging microscopy (FLIM) of endogenous metabolites measures metabolism at the cellular scale. HP-MRS results showed no lactate peak for 67NR and a comparatively large lactate/pyruvate ratio for both 4T1 and 4T07 cell lines, suggestive of greater pyruvate utilization with greater metastatic potential. Similar patterns were observed using FLIM with significant increases in FAD intensity, redox ratio, and NAD(P)H lifetime. The lactate/pyruvate ratio was strongly correlated to NAD(P)H lifetime, consistent with the role of NADH as an electron donor for the glycolytic pathway, suggestive of an overall upregulation of metabolism (both glycolytic and oxidative), for the 4T07 and 4T1 cell lines compared to the non-metastatic 67NR cell line. These findings support a complementary role for HP-MRS and FLIM enabled by a novel collagen gel bioreactor system to investigate metastatic potential and cancer metabolism.

The optimization of ligand-receptor binding affinities is essential for enhancing therapeutic efficacy and specificity, particularly in the design of peptide-based drugs. ziconotide, a potent blocker of the N-type calcium channel CaV2.2, has demonstrated therapeutic potential in the treatment of moderate to severe chronic pain. However, there is limited structural and binding affinity data available for scaling the design of ziconotide analogues with improved efficacy and specificity. In this study, I present a structural biophysics-based approach to develop a scalable in silico framework for generating and analyzing ligand-receptor binding affinity landscapes, focusing on ziconotide and its receptor, CaV2.2. This framework integrates advanced computational structural tools and binding affinity calculations to produce high-accuracy structural and intermolecular binding data. The insights gained from this scalable approach will guide the design of ziconotide analogues with enhanced efficacy, offering a powerful computational workflow for high-throughput ligand optimization. Additionally, when combined with artificial intelligence (AI) algorithms, this computational workflow generates high-accuracy structural and biophysical data, towards an AI- and structural biophysics-driven paradigm shift in peptide discovery and design.

In order to achieve the dual carbon goal and simplify the decarbonization process, a CO2 recovery process of the fire-flooding exhaust was designed. The process adopted the two-stage membrane separation method to recover CO2 and obtain high purity CO2 rich flow, and then through the mixed refrigerant liquefaction and rectification column, food grade liquid CO2 was obtained. HYSYS process simulation shows that for the fire-flooding exhaust with a flow rate of 1000 kg/h and a given composition, the process can achieve a CO2 recovery of 69.02%, total product sales S=2086.8 yuan/h, and specific power consumption of 2.818 kW∙h/kg. On this basis, a hybrid simulation platform of HYSYS & Matlab was established. Taking the specific power consumption of the product as the objective function, sequential quadratic programming (SQP) algorithm was adopted to optimize the process, and the optimized specific power consumption was reduced by 18.8%. Finally, by adjusting N2/CO2 components, the adaptability of the optimization condition was analyzed.

The advancement of computational drug discovery and design necessitates continuous innovation to enhance the accuracy and scope of predictive models for early-stage drug research and development. This article introduces a novel workflow for in silico generation of structural and intermolecular binding affinity data with reasonable accuracy, combining two computational tools: Modeller and Prodigy. By leveraging synthetic structural and biophysical data, this approach addresses the limitations of existing experimental datasets, generating extensive, high-quantity binding affinity data with reasonable accuracy for biomolecular binding pairs, which broadens the horizon of computational biomolecule design and discovery by enabling extensive exploration of the sequence space of biomolecular binding pairs, and narrows the gap between experimental binding affinity data and its unexplored territories. Overall, this article presents a methodological advance to enhance the accuracy and scope of computational biomolecule discovery and design, paves the way for the development of preclinical candidates with improved efficacy and specificity, and holds transformative potential for further advancements in artificial intelligence-enabled biomolecule discovery and design in the future.

Due to the vast conformational space proteins can adopt, accurate and efficient prediction of protein structure remains still a challenging task, coupled with the intricacies of interatomic interactions and the limitations of current computational models in effectively navigating this complex molecular landscape. Additionally, the lack of comprehensive experimental data for all protein structures further exacerbates the difficulty in reliable machine learning-based prediction of the three-dimensional conformations of the proteios building block of life. Geometrically, Cartesian coordinate system (CCS, X, Y and Z) and spherical coordinate system (SCS, ρ, θ and φ) are two interconvertible coordinate systems, and are like two sides of one coin. Since the beginning of Protein Data Bank (PDB) in 1971, CCS has been the default approach to specify atomic positions with X, Y and Z in PDB. In this manuscript, therefore, I present a novel method for the reversible spherical geometric conversion of protein backbone structure coordinate matrices to three independent vectors: ρ, θ and φ. This reversible conversion facilitates lossless extraction of essential structural features from protein backbone structural data, enabling the development of advanced novel algorithms for protein structure prediction in future. In short, this inter-atomic SCS approach offers a comprehensive yet efficient means of representing protein backbone geometry, leveraging spherical coordinates to capture spatial relationships in a compact and intuitive inter-atomic manner, and to provide a robust framework for reversible feature extraction for the ongoing efforts in advancing the field of protein structure prediction, the holy grail of computational structural biology.

Newcastle disease (ND) is a viral infection that affects domestic and wild type birds especially poultry and establishing serious economic costs for poultry industry. Newcastle disease virus’ (NDV) HN membrane receptor is attractive therapeutic candidate, contributes to pathogenicity with various functions such as fusion and prevent viral self-agglutination to permit viral spread. No validated HN inhibitor has been reported yet. However, the purpose of current study was to determine potential compounds via pharmacophore-based screening of natural molecules to inhibit HN receptor of NDV. Physicochemical characteristics and phylogenetic analysis were determined to elucidate structural information and phylogeny of target protein across different species as well as members of gene family. Fill missing residues of HN target protein and evaluated via PROCHECK and VERIFY 3D. We employed shape and feature-based pharmacophore model and screen natural compound’s library through numerous scoring schemes. Top 48 hits with 0.8860 pharmacophore fit score were subjected towards structure-based molecular docking. Top 9 compounds was observed witihin the range of -8.9 to -7.5 kcal/mol binding score. Five best-fitting compounds in complex with HN receptor were subjected to predict biological activity and ADMET analysis. Top two hits were selected for MD simulations to validate binding modes and structural stability. Upon scrutinization, A1 (ZINC05223166) emerges as potential HN inhibitor to treat ND, necessitating further validation via clinical trials.

A series of novel substituted isoxazolidine derivatives was synthesized through 1,3-dipolar cycloaddition reactions of α-aryl-N-methyl nitrones with various ethylene moieties, resulting in the formation of isoxazolidine derivatives. The structures of the synthesized compounds were characterized using spectroscopic methods. The [3+2] cycloaddition (32CA) reactions of α-aryl-N-methyl nitrones with diverse ethylene substituents were computed employing Density Functional Theory (DFT) at the B3LYP/6–31G(d) level, upgrading bond parameters. An investigation of the electron localization function (ELF) unveiled the zwitterionic nature of α-aryl-N-methyl nitrones, devoid of pseudoradical or carbenoid centers. Utilization of CDFT indices enabled the prediction of global electronic flux from the strongly nucleophilic α-aryl-N-methyl nitrones to the varied electrophilic ethylene functionalities. Molecular docking and molecular dynamics simulations were conducted on the isoxazolidine derivatives against the EGFR receptor (PDB: 4ZAU). In silico assessment of the synthesized isoxazolidines involved molecular docking, wherein the compound with the highest docking score was subjected to molecular dynamics simulations. Compound 11a, out of the thirty isoxazolidine derivatives, displayed the most substantial binding energy, yielding a g score of -6.57 kcal/mol. These observations highlighted the functional role of amide NH2 and NO2 in the binding process with the target protein, influencing its activity. Furthermore, prediction of ADME drug-likeness properties was performed to identify a suitable candidate.

As a key mediator of chronic pain, neurotrophin nerve growth factor (NGF) binds to two neurotrophin receptors: p75 neurotrophin receptor (p75NTR) and tyrosine kinase receptor A (TrkA). The formation of the p75NTR-NGF-TrkA complex is implicated in the potentiation of chronic pain signals, making it an attractive target for therapeutic explorations. NGF analogues and monoclonal antibodies (mAbs) targeting NGF represent two distinct approaches in modulating the intricate signaling pathways involved in pain transduction mediated by the p75NTR-NGF-TrkA complex. While NGF analogues offer the advantage of tailored design to fine-tune neurotrophic responses, monoclonal antibodies provide a more systemic and comprehensive blockade of NGF, inhibiting its interactions with both p75NTR and TrkA receptors. However, the use of mAbs may pose challenges related to potential side effects and interference with the physiological functions of NGF. As a result, balancing the benefits and drawbacks of the two approaches is critical for advancing therapeutic strategies towards the alleviation of p75NTR-NGF-TrkA-mediated pain. In this study, therefore, a novel structural and biophysical approach was employed for the design of NGF analogues to suppress p75NTR-NGF-TrkA-related chronic pain signaling. Employing high-throughput structural modeling and biophysics-based intermolecular binding affinity calculations, this article for the first time puts forward a set of NGF analogues, including in particular NGF analogues with four site-specific mutations, for whose dimerizations the K d at 37 ^◦C were reduced by three orders of magnitude (from 10^-9 M to 10^-6 M) compared to the K d at 37 ^◦C for the dimerization of native NGFs. Overall, the integration of structural and biophysical perspectives enhances our understanding of the rational design of NGF analogues as promising candidates for the development of NGF-targeted analgesic therapies, which balances the benefits and drawbacks of anti-NGF antibodies and NGF analogues for advancing therapeutic strategies towards the alleviation of p75NTR-NGF-TrkA-mediated pain.

Precise monitoring of individual crop growth and health status is crucial for precision agriculture practices. However, traditional manual inspection methods are time-consuming, labor-intensive, and often lack the spatial resolution required for detailed analysis. This research addresses the need for efficient and high-resolution crop monitoring by leveraging Unmanned Aerial Vehicle (UAV) imagery and advanced computational techniques. The primary objective was to develop a methodology for precise identification, extraction, and monitoring of individual corn crops throughout their growth cycle. This was achieved by integrating UAV-derived data with image processing, computational geometry, and machine learning techniques. UAV imagery was ac-quired bi-weekly at altitudes of 40m and 70m, capturing the entire growth cycle of a corn crop from planting to harvest. A time-series Canopy Height Model (CHM) was generated by analyzing the differences between the Digital Terrain Model (DTM) and the Digital Surface Model (DSM) derived from the UAV data. Local spatial analysis and image processing techniques were em-ployed to determine the local maximum height of each crop. Subsequently, a Voronoi data model was developed to delineate individual crop canopies, successfully identifying 13,000 out of 13,050 corn crops in the study area. For enhanced accuracy in canopy size delineation, vegetation indices were incorporated into the Voronoi model segmentation, refining the initial canopy area esti-mates by eliminating interference from soil and shadows. The proposed methodology enables precise estimation and monitoring of crop canopy size, height, biomass reduction, lodging, and stunted growth over time, providing valuable insights for precision agriculture practices. This work contributes to the scientific community by demonstrating the potential of integrating UAV technology, computational geometry, and machine learning for accurate and efficient crop mon-itoring at the individual plant level.

Pneumatic nebulizers (as variations based on the Collison nebulizer) have been widely used for producing fine aerosol droplets from a liquid material. The basic working principle of those nebulizers has been qualitatively described as utilization of the negative pressure associated with an expanding gas jet to syphon liquid into the jet stream, then to blow and shear into liquid sheets, filaments, and eventually droplets. Detailed quantitative analysis based on fluid mechanics theory is desirable, to gain in-depth understanding of the liquid aspiration mechanism among other aspects of the Collison nebulizer behaviour. The purpose of present work is to investigate the nature of negative pressure distribution associated with compressible gas jet flow in the Collison nebulizer by a computational fluid dynamics (CFD) analysis, using an OpenFOAM® compressible flow solver. The value of the negative pressure associated with a gas jet flow is examined by varying geometric parameters of the jet expansion channel adjacent to the outlet of jet orifice. Such an analysis can provide valuable insights into fundamental mechanisms for liquid aspiration, helpful for designing improved pneumatic atomizer in the Aerosol Jet® direct-write system for micro-feature, high-aspect-ratio material deposition

This study aims to quantify greenhouse gas (GHG) emissions from China's sludge treatment industry and explore the potential of novel technologies to mitigate these emissions, promoting sustainable sludge management practices. Using a life cycle assessment approach, the total GHG emissions from sludge treatment in 2017 were estimated at 18.54 Mt CO2-eq, with significant regional variations. Incineration contributed the highest emissions (1,011.53 kg CO2-eq/t dry sludge), followed by landfill (717.51 kg CO2-eq/t) and land application (276.41 kg CO2-eq/t). The uneven distribution of emissions across cities highlights the need for targeted mitigation strategies that consider local sustainability challenges. Principal component analysis revealed that economic factors and treatment scale significantly influence emissions, emphasizing the importance of integrating sustainability goals with economic development. To reduce the carbon footprint of sludge treatment and enhance sustainability, the mitigation potential and costs of various technologies were evaluated, including thermal conversion, anaerobic digestion, hydrothermal processes, and wet oxidation. These technologies offer GHG emission reductions ranging from 0.09 to 0.46 t CO2-eq/t dry solids compared to conventional methods, while also promoting resource recovery and circular economy principles. However, further optimization is necessary to enhance their environmental and economic performance, ensuring long-term sustainability. By implementing these technologies and adopting optimization strategies, China's sludge treatment industry can significantly contribute to achieving the country's carbon neutrality goal and fostering sustainable development.

In this research work, we examined the decomposition mechanisms of N-substituted diacetamides. We focused on the substituent effect on the nitrogen lone pair electron delocalization, withdrawing and electron donor groups. DFT functionals used included: B1LYP, B3PW91, CAMB3LYP, LC-BLYP, and X3LYP. Dispersion functions gd3bj were applied when necessary to improve non-covalent interactions in the transition state. Pople with higher angular moments and def2-TZVP basis sets were also applied and were crucial for obtaining consistent thermodynamic parameters. The proposed mechanism involves a six-membered transition state with the extraction of an α hydrogen. Several conformers of N-diacetamides were used to account for the decrease in entropy in the transition state in the rate-determining state. All calculations, including Natural Bond Orbital (NBO) analyses, were performed using the Gaussian16 computational package and its GaussView 6.0 visualizer, along with VMD and GNUPLOT software. The isosurfaces and IBSI indexes were calculated using MultiWFN and IGMPlot, respectively.

Aquaporin-3 (AQP3) is one of the aquaglyceroporins, which is expressed in the basolateral layer of the skin membrane. Studies have reported that human skin squamous cell carcinoma overexpresses AQP3 and inhibition of its function may alleviate skin tumorigenesis. In the present study, we have applied a virtual screening method that encompasses filters for physicochemical properties and molecular docking to select potential hit compounds that bind to the Aquaporin-3 protein. Based on molecular docking results, the top 20 hit compounds were analyzed for stability in the binding pocket using unconstrained molecular dynamics simulations and further evaluated for binding free energy. Furthermore, examined the ligand-unbinding pathway of the inhibitor from its bound form to explore possible routes for inhibitor approach to the ligand-binding site. With a good docking score, stability in the binding pocket, and free energy of binding, these hit compounds can be developed as Aquaporin-3 inhibitors in the near future.

Although Eulerian approaches are standard in computational acoustics, they are less effective for certain classes of problems like bubble acoustics and combustion noise. A different approach for solving acoustic problems is to compute with individual particles following particle motion. In this paper, a Lagrangian approach to model sound propagation in moving fluid is presented and implemented numerically, using three meshfree methods to solve the Lagrangian acoustic perturbation equations (LAPE) in the time domain. The LAPE split the fluid dynamic equations into a set of hydrodynamic equations for the motion of fluid particles and perturbation equations for the acoustic quantities corresponding to each fluid particle. Then, three meshfree methods, the smoothed particle hydrodynamics (SPH) method, the corrective smoothed particle (CSP) method, and the generalized finite difference (GFD) method, are introduced to solve the LAPE and the linearized LAPE (LLAPE). The SPH and CSP methods are widely used meshfree methods, while the GFD method based on the Taylor series expansion can be easily extended to higher orders. Applications to modeling sound propagation in steady or unsteady fluids in motion are outlined, treating a number of different cases in one and two space dimensions. A comparison of the LAPE and the LLAPE using the three meshfree methods is also presented. The Lagrangian approach shows good agreement with exact solutions. The comparison indicates that the CSP and GFD method exhibit convergence in cases with different background flow. The GFD method is more accurate, while the CSP method can handle higher Courant numbers.

The western Sulige gas field is a new and key reserve area for the rolling development of the Sulige gas field in China. However, due to the complex gas–water relationship and the difficulty in identifying gas and water formation, the scale and benefit deployment of the gas field are seriously restricted. In particular, almost all of the wells in the area produce water and no water measurement has been carried out for any single well, which leads to an unclear understanding of the dynamic characteristics of the production wells, thus affecting the productivity calculations of the gas wells and the overall regional productivity evaluation. Based on the testing data for a gas well, the impacts of the reservoir property parameters on the gas and water production were analyzed by combining the production performance and static geological characteristics. It was determined that the physical parameters K, Kh, and φSg had good positive correlations with gas production but not with water production; thus, effective prediction cannot be obtained for water production in gas well testing. After the analysis of the liquid loading law, the gas wells were classified into three types: continuous liquid carrying production, slight liquid loading, and liquid loading wells. In general, up to 96% of the gas wells were liquid loaded. According to the different production performances exhibited in the different stages of the gas wells, five types of methods for diagnosing water production wells were proposed (gas testing, pilot production, gas–liquid two-phase measurement testing, liquid level detection, and production performance analysis), as well as the diagnostic criteria and corresponding solutions. To obtain real-time water production data for each well and investigate the change of water-gas ratio (WGR) during the whole production process, a water production splitting method for gas wells based on three-dimensional geological modeling and numerical simulation combined with the constraints of the total water production of gas gathering stations was explored and established. The splitting results can be used to evaluate the water and gas productivity of gas wells and determine the best deliquification period. The gas well productivity when water production was considered was about 10% lower than that when water production was not considered. The best deliquification period was determined to be 125 days for wells with small water production, 20 days for wells with moderate water production, and 3 days for wells with serious water production. The results of this study could provide technical support for the scientific evaluation of gas well production indicators, reduction of development costs, and improvement of oil recovery.

Current paper is aiming to show the obtained results in manufacturing and characterization of graphite-based and metal composite materials suitable to be used in high voltage applications of automotive and/or aviation field. Thus, 4 types of materials have been processed and tested in order to assess their suitability to be used as current collector material for electric engines. The novelty of this work is the presentation of the new innovative technological process for obtaining the carbon/metal composite material used in the manufacture of sliding contacts for current collector heads, as well as the characteristics obtained for this material. All 4 obtained materials have been characterized from structural, mechanical and functional point of view and the most suitable of them has been chosen to be further developed by the end beneficiary.

CoCrFeNiMn high-entropy alloy coatings were prepared on compacted graphite iron（CGI） through plasma cladding to strength the CGI substrate. The effects of heat treatment temperatures and times on the microstructure and mechanical properties of the CoCrFeNiMn coatings were investigated. After heat treatment, a single FCC phase was remained in the coating as compared to the deposited one, with smaller dendrites, larger dendritic spacing and more Cr-rich compounds precipitated between dendrites. The coatings’ microhardness was increased after heat treatment. After heat treated at 660°C for 90 minutes, the coating had the highest microhardness of 563±6.9 HV0.2, the lowest frictional coefficient of 0.71 and the smallest wear mass loss of 1.12 mg, and it had the best wear resistance.

Recent discovery of triangular boron Nanotubes makes it a competitor of carbon in many respects. Closed forms of M-polynomial of nanotubes produce closed forms of many degree-based topological indices which are numerical parameters of the structure and, in combination, determine properties of the concerned nanotubes. In this report, we give M-polynomials of triangular boron nanotubes and recover many important topological degree-based indices of these nanotubes. We also plot surfaces associated to these nanotubes.

A central hypothesis on brain functioning is that plasticity regulates the signals transfer function by modifying the efficacy of synaptic transmission. In the cerebellum, granular layer has been shown to control the gain of signals transmitted through the mossy fiber pathway. Until now, the impact of plasticity on incoming activity patterns was analyzed by combining electrophysiological recordings in acute cerebellar slices and computational modeling, unraveling a broad spectrum of different forms of synaptic plasticity in the granular layer, often along with forms of intrinsic excitability changes. Here, we attempt to provide a brief overview of the most prominent forms of plasticity at excitatory synapses formed by mossy fibers onto principal neurons (granule cells, Golgi cells and unipolar brush cells) in the granular layer. Specifically, we will highlight current understanding of the mechanisms and their functional implications of the synaptic and intrinsic plasticity, providing valuable insights into how inputs are processed and reconfigured at the cerebellar input stage.

Drug-target binding is a crucial parameter in drug discovery and design, ensuring drug efficacy and specificity. Semaglutide, a potent GLP-1 receptor agonist, is widely used to treat type 2 diabetes mellitus by regulating blood glucose levels and promoting weight loss. This study introduces a novel approach utilizing the concept of a general intermolecular binding affinity calculator (GIBAC) for designing semaglutide analogues with enhanced binding affinity to GLP-1R. For the first time, a Val27-Arg28 exchange was manually introduced to strengthen the semaglutide-GLP-1R binding affinity. A comprehensive structural and biophysical analysis was conducted to explore the semaglutide-GLP-1R sequence space, leading to the identification of promising analogues. Among these, one semaglutide analogue demonstrated a binding affinity to GLP-1R that is more than two orders of magnitude (113.3 times) higher than native semaglutide, achieving a Kd of 3.0 x 10^-8 M compared to the Kd of 3.4 x 10^-6 M for native semaglutide. This article proposes a promising structural biophysical approach for developing GLP-1 receptor agonists with improved efficacy. The prototype GIBAC, termed semaGIBAC, represents a paradigm shift in precise drug discovery and design, advocating for the construction of a full-scale GIBAC to be prioritized within the drug discovery and design community.

Drug-target binding is an essential parameter in drug discovery and design to ensure drug efficacy and specificity. In 2022, the concept of a general intermolecular binding affinity calculator (GIBAC) was for the first time coined: $Kd = f(molecules, envPara)$. Technically, GIBAC represents a set of in silico approaches for structural and biophysical data generation towards a paradigm shift in precise drug discovery and design, providing a comprehensive framework for intermolecular binding affinity calculation with adequate accuracy, precision and efficiency. For the first time, this study reports a prototype of GIBAC (semaGIBAC), i.e., a one-dimensional semaglutide-GLP-1R-based mini static GIBAC, based on an experimental complex structure of semaglutide and GLP-1R. Semaglutide is a potent GLP-1 receptor agonist used to treat type 2 diabetes mellitus by regulating blood glucose levels and promoting weight loss. In 2021, a structural modification involving a Val27-Arg28 exchange was manually introduced to enhance semaglutide-GLP-1R binding affinity. This study employs a comprehensive structural and biophysical analysis aimed at thoroughly exploring the sequence space of semaglutide-GLP-1R to design analogues with improved binding affinity, leading to the identification of a promising semaglutide analogue, which binds to GLP-1R with an affinity that is more than two orders of magnitude (113.3 times) higher than native semaglutide. To sum up, this article puts forward a promising structural biophysical approach for developing GLP-1 receptor agonists with enhanced efficacy, and with a GIBAC prototype (semaGIBAC), this article argues again that the time is now ripe for the construction of a real GIBAC to be listed on the agenda of the drug discovery and design community.

Phosphodiesterase type 5 (PDE5) inhibitors are widely used in the treatment of various conditions, including erectile dysfunction and pulmonary hypertension. Despite their clinical efficacy, these drugs quite often cause visual disturbances due to off-target effects on Phosphodiesterase type 5 (PDE6) in the retina. This review explores the application of a general intermolecular binding affinity calculator (GIBAC)-based binding selectivity strategy in the design of PDE5 inhibitors, aiming to enhance binding selectivity and minimize visual side effects. This GIBAC strategy integrates computational structural biological approaches to iteratively refine drug-target binding affinities, thereby improving target specificity and the structural biophysical limit for the efficacy-safety balance of PDE5 inhibitors. Through detailed analysis of PDE5’s and PDE6’s biological role and the molecular mechanisms underlying visual disturbances, this article underscores the necessity of target binding selectivity in PDE5 inhibitor design in future. Additionally, this article discusses the practical applications of GIBAC in computational drug discovery and design, along with the future directions and the potential for GIBAC to transform PDE5 inhibitor development, ultimately enhancing therapeutic outcomes and patient safety. Finally, this article calls for a GIBAC-based paradigm shift in computational drug discovery and design towards the continued development of the pharmaceutical industry.

Semaglutide is a potent GLP-1 receptor agonist used in the treatment of type 2 diabetes mellitus due to its ability to regulate blood glucose levels and promote weight loss. On July 26, 2021, with a manually defined set of computational structural and biophysical analysis, a simple Val27-Arg28 exchange was for the first time introduced in the backbone of semaglutide to strengthen the semaglutide-GLP-1R binding affinity. In this article, a comprehensive structural and biophysical analysis approach is for the first time proposed towards an exhaustive exploration of the semaglutide-GLP-1R sequence space for the design of semaglutide analogues with elevated binding affinity to GLP-1R, thereby potentially enhancing therapeutic efficacy of structurally conceivable semaglutide analogues. Through structure biophysics-based rational design and computational modeling, this article puts forward a set of semaglutide analogues and calculated their binding affinities to GLP-1R, with one particular semaglutide analogue-GLP-1R structural model reaching a K_d of 3.0 × 10^-8 M, while the K_d is 3.4 × 10^-6 M for the binding of native semaglutide to GLP-1. Overall, the computationally designed semaglutide analogues here constitute a hopeful approach for developing GLP-1 receptor agonists with improved efficacy for the treatment of diabetes and weight management in future.

Insulin therapy is a cornerstone in the management of diabetes, yet the pursuit of optimizing its pharmacokinetic profile remains a focal point in diabetes research. For instance, insulin icodec of Novo Nordisk is a novel long-acting insulin analogue that exhibits an extended duration of action, providing a promising once-weekly treatment option for diabetic patients. However, designing insulin analogues with lower receptor affinity than that of insulin icodec could still produce a further extended duration of action than that of insulin icodec through the suppression of receptor-mediated internalization of insulin analogues. In this study, therefore, I present the design of a novel series of insulin analogues engineered towards lower binding affinity to the insulin receptor compared to that of insulin icodec. Through computational structural biophysics-based rational design strategies, this article aims to further extend the duration of action while maintaining therapeutic efficacy of insulin analogues. Utilizing homology molecular modeling and structural biophysics-based binding affinity calculations, this article puts forward a set of insulin analogues with lower binding affinity to insulin receptor than that of insulin icodec from a structural and biophysical point of view. Overall, this article calls for subsequent in vitro and in vivo evaluations of the efficacy and prolonged action of the engineered insulin analogues to pharmacokinetically test whether these analogues acutally surpass that of insulin icodec as hopeful candidates for next-generation insulin analogue therapies with improved duration of action and enhanced control of blood glucose levels for diabetic patients in future.

From a structural point of view, understanding interfacial electrostatic features of ligand-receptor complexes is crucial for biophysics-based design of therapeutics with improved efficacy and safety. Here, with a high-throughput structural feature extraction approach, this article reports a set of electrostatic structural features from glucagon-like peptide-1 (GLP-1) and GLP-1 receptor (GLP-1R) complex structures determined using experimental tools. Leveraging a set of computational structural biophysical analyses, this article systematically characterized the electrostatic interactions within the GLP-1-GLP-1R complexes with two sets of criteria to identify interfacial salt bridges and hydrogen bonds. Overall, the results here reveal intricate details of electrostatic interactions critical for GLP-1 binding to its receptor GLP-1R, providing biophysical insights into the stabilization of the GLP-1-GLP-1R complex structure and the molecular basis of GLP-1/GLP-1R signaling. Furthermore, the electrostatic structural features extracted from GLP-1 and GLP-1R complex structures are useful in the development of a machine learning-based ligand-receptor binding affinity calculating model, i.e., a GLP-1-GLP-1R-specific general intermolecular binding affinity calculator (GIBAC), paving the way for accelerated discovery and structure-based design of drug candidates targeting the GLP-1/GLP-1R system with improved efficacy and safety.

At the end of the dry season in early March to early April each year, extensive agricultural biomass waste burnings occur throughout insular mainland Southeast Asia. During this biomass burnings period, smoke aerosols blanket the whole regions and were transported and dispersed by predominant westerly and south westerly winds to southern China, Taiwan and as far southern Japan and the Philippines. The extensive and intense burnings coincided with some wildfires in the forests due to high temperature making the region one of the global hot spots of biomass fires. In this study, we focus on the effect of pollutants emitted from biomass burnings in March 2019 at the height of the burnings period to the exposed population and their health impact. The Weather Research Forecast- Chemistry (WRF-Chem) model was used to predict the PM2.5 concentration over the simulating domain and health impacts are then assessed on the exposed population in the four countries of Southeast Asia, namely Thailand, Laos, Cambodia and Vietnam. Using the health impact based on log-linear concentration response function and Integrated Exposure Response (IER), the results show that at the peak period of the burnings from 13 to 20 March 2019, Thailand experienced the highest impact, with an estimated 2170 premature deaths. Laos, Vietnam, and Cambodia followed, with estimated mortalities of 277, 565, and 314 deaths respectively. However, when considering the impact per head of population, Laos exhibited the highest impact, followed by Thailand, Cambodia, and Vietnam. The results highlight the significant health impact and associated economic cost of agricultural waste burnings in Southeast Asia at the end of the dry season. And hence policy makers should take these into account to design measures to reduce the negative impact of widespread burnings on exposed population in the region.

Instead of simplified steady-state models, with modern computers, one can solve the complete aero-thermodynamics happening in gas turbine engines. In the present article, we describe a mathematical model and numerical procedure to represent the transient response of a PT6A gas turbine engine operating at off-design conditions. The aero-thermal model consists of a set of algebraic and ordinary differential equations that arise from the application of the mass, linear momentum, angular momentum, and energy balances in each engine's component. The solution code has been developed in Matlab-Simulink using a block-oriented approach. Transient simulations of the PT6A engine start-up have been carried out by changing the original Jet-A1 fuel with biodiesel blends. Time plots of the main thermodynamic variables are shown, especially those regarding the structural integrity of the burner. Numerical results have been validated against reported experimental measurements and GasTurb simulations. The computer model has been capable to predict acceptable fuel blends, such that the real PT6A engine can be substituted to avoid the risk of damaging it.

Analyses of the three predominant types of sedimentation – clastic, carbonate and black shale – revealed their discontinuity/continuity in different facies environments of the Middle and Late Devonian of the central part of the Volga-Urals petroleum province, namely (1) in depressions, both condensed and non-condensed, (2) on the slopes of depressions and (3) in shallow water environments represented by tectonic arches or localised biohermal uplifts. The regional zonation of conodonts, correlated with the global chronostratigraphic scheme, substantiates the stratigraphic completeness of the general Devonian sequence in this area. In particular, the sedimentation of organic-rich black shales, traditionally considered as source rocks, lasted more than 29 million years, starting from the Late Eifel and ending at the Devonian-Carboniferous boundary. There was only one hiatus in the deposition of both black shales and carbonate sediments, lasting about 2.5 million years at the end of the Frasnian. That interval is dominated by clastic sediments, which are considered to be the most productive reservoirs of the Volga-Ural province. In the time interval from the beginning of the Eifel to the end of the Frasnian (about 17 Ma), (a) clastic sediments show the highest accumulation rates; (b) the most complete sequences occur in depressions; and (c) arches and uplifts show the most significant gaps in the geological record. During Famennian, (a) clastic sedimentation has completely ceased; (b) differences between the slopes of troughs and shallow-water environments have diminished, resulting in stable accumulation of carbonate sediments in both settings; (c) the decrease in sequence thickness (up to 50 m) in depressions suggests reduced accumulation rates of deep-water organic-rich black shales. The results help to understand the complex spatial relationship between different coexisting sedimentation types and focus attention to the incompleteness of the geological record in different environments.

High-precision conical threads are widely used in responsible joints in the drilling of oil and gas wells. Difficult underground drilling conditions due to the occurrence of significant mechanical loads and an aggressive environment in wells require the use of workable materials that are often difficult to machine. The huge need for such connections dictates the use of high-performance cutting tools, which means that high demands are placed on their effective geometric performance. The study describes the theoretical dependence of the profile precision of the tapered drill-string tool-joint threads of all standard sizes on the complex of a cutting tool geometric parameters and cutting tool setting accuracy. The experiments include an assessment of the geometric accuracy of the profile of the obtained NC23 thread connector, depending on the values of the installation angles and the declared tangential displacement of the standard threaded carbide insert.

The development of accurate dynamic battery pack models for electric vehicles (EVs) is critical for the ongoing electrification of the global automotive vehicle fleet, since these serve as a key element in the energy performance of an EV powertrain system. The Equivalent Circuit Model (ECM) technique at the cell level is commonly employed for this purpose, combining accuracy and efficiency in the representation of battery operation within the broader powertrain system. In this study, a second-order ECM model of a battery cell is being developed using Modelica, an equation-based modeling language. Parameter lookup tables at multiple levels of state of charge (SoC), extracted from Li-ion battery cells with 4 different commonly used cathode materials, have been utilized. This approach allows for a representation of the battery systems that are used in a wide range of commercial EV applications. To verify the model, an integrated EV model is developed and simulation results of the FTP75 driving cycle have been compared against an equivalent application in MATLAB Simulink. The findings demonstrate a close match between the results obtained from both software across different system points. Specifically, the maximum deviation of SoC is limited to 0.08% and the maximum value of relative voltage deviation is 1.4%. The verified model enables the exploration of multiple possible architecture configurations of EV powertrains with Modelica.

This paper presents a comprehensive comparative analysis of four different computational vision algorithms for implementing an unpalleting system in a factory environment, under typical edge computing constraints. The primary objective is to automate the process of detecting and locating specific variable-shaped objects on a pallet, enabling a robotic system to accurately unstack them. The four algorithms evaluated are Pattern Matching, Scale-Invariant Feature Transform, Oriented FAST and Rotated BRIEF, and Haar cascade classifiers. Each technique is described in detail in this paper, and their implementations are outlined. Experimental results are thoroughly analyzed, assessing the algorithms’ performance based on accuracy, robustness to variability, computational speed, detection sensitivity, and resource consumption. The findings reveal the strengths and limitations of each algorithm, providing valuable insights for selecting the most appropriate technique based on the specific requirements of the unpalleting system. This research contributes to the advancement of automated object detection and localization in industrial environments, paving the way for more efficient and reliable unpalleting systems.

Underwater imaging presents unique challenges, notably color distortions and reduced contrast due to light attenuation and scattering. Most underwater image enhancement methods, first use linear transformations for color compensation and then enhance the image. We observed that linear transformation for color compensation is not suitable for certain images. For such images, a non-linear mapping is a better choice. Our paper introduces a unique underwater image restoration approach leveraging a streamlined convolutional neural network (CNN) for dynamic weight learning for linear and non-linear mapping. In the first phase, a classifier is applied that classifies the input images into Type-I or Type-II. In the second phase, depending on the classification, the Deep Line Model (DLM) for Type-I images or the Deep Curve Model (DCM) for Type-II images. For mapping an input image to an output image, DML creatively combines color compensation and contrast adjustment in a single step and uses deep lines for transformation, whereas DCM employs higher-order curves. Both models utilize lightweight neural networks that learn per-pixel dynamic weights based on the input image’s characteristics. Comprehensive evaluations on benchmark datasets using metrics like peak signal-to-noise ratio(PSNR) and root mean squares error (RMSE) affirm our method’s effectiveness in accurately restoring underwater images, outperforming existing techniques.

Considering that cryptocurrencies are now present in practically every financial transaction because they are widely accepted as an alternate means of making payments and exchanging currencies, academics and economists have more opportunities to study cryptocurrency prices. Over the years, investors, traders and investment banks have found it difficult to predict the closing daily price of Ethereum due to its rapid price fluctuation. The daily closing price of cryptocurrency is essential to consider when trading or investing in Ethereum. This report focuses on carrying out a comparative study of the predictive capabilities of deep machine learning algorithms with a stacking ensemble modelling framework using daily historical observations of the price of Ethereum obtained from Coindesk, tweets extracted from Twitter ranging from the 1st of August 2022 to the 8th of August 2022 and other five covariates (closing price lag1, closing price lag2, noltrend, daytype and month) engineered from the closing price of Ethereum. Seven models are used to compute the forecasts for the daily closing price of Ethereum; these are the recurrent neural network, ensemble stacked recurrent neural network, gradient boosting machine, generalized linear model, distributed random forest, deep neural networks and stacked ensemble for gradient boosting machine, generalized linear model, distributed random forest and deep neural networks. The main evaluation metric used is the mean absolute error. According to MAE, RNN forecasts outperform the other model’s forecasts in this study, producing an MAE of 0.0309.

The main focus of the in vitro toxicity assessment methods is on the viability of the cells, which is usually based on metabolism changes. Yet, when exposed to toxic substances, the cell triggers multiple signals in response. With this in mind, we have developed a promising cell-based toxicity method that observes various cell responses when exposed to toxic substances (either death, division or remaining viable). Based on the collective cell response, we observed and predicted the dynamics of the cell population to determine the toxicity of the toxicant. The method was tested with two different conformations: In the first conformation, we exposed a monoculture model of blood macrophages to UV light, hydrogen peroxide, nutrient deprivation, tetrabromobisphenol A, fatty acids and 5-fluorouracil. In the second, we exposed a coculture liver model consisting of hepatocytes, hepatic stellate cells, Kupffer cells and liver sinusoidal endothelial cells to rifampicin, ibuprofen and 5-fluorouracil. The method showed good accuracy compared to established toxicity assessment methods. In addition, this approach provided more representative information on the toxic effects of the compounds as it considers the different cellular responses induced by toxic agents.

This paper introduces an innovative approach that enables automated and precise prediction of the steel's chemical composition based on the desired Jominy curve. The microstructure, and in fact the presence of martensite, is decisive for the hardness of the steel, so the study considered the occurrence of this phase at particular distances from the quenched-end of the Jominy sample. Steels for quenching and tempering and case hardening were investigated. With representative collected dataset of hardness values from quenched-end of Jominy specimen, microstructure and chemical composition of steels, the complex regression model was made using supervised artificial neural networks. The balance between cost and required hardenability can be achieved through optimizing the chemical composition of steel. This model of designing steel with required hardenability can be of great benefit in the mechanical engineering and manufacturing industry. The model is verified experimentally.

This paper investigates the energy dissipation level of a nonlinear vehicle suspension system. The suspension system is modelled as a mass-spring-damper system, which is designed using the output frequency response function (OFRF) method. This method enables the derivation of an explicit relationship, between the system output spectrum (or Performance metric) and the system nonlinear parameters of interest. The OFRF polynomial, of the energy dissipation level, was derived in terms of the nonlinear parameters of interest. The results obtained show that the OFRF model, of the energy dissipation level, could be used to estimate the amount of heat dissipated, for a set of design parameters. This has potentials of providing some insights, in the design of vibration-based energy harvesters, as some of the wasted heat energy could be converted to electrical energy.

The COVID-19-medical emergency has ended worldwide, yet there is still a need to evaluate the psychological impact of these years of unprecedented changes on students’ life. Methods: This study aims to assess and compare COVID-19-related stressors (Relationships-and-Academic-Life; Isolation; Fear-of-Contagion) and psychophysical symptoms reported by university students in April-2020, April 2021, and April 2022. The predictive role of COVID-19-related stressors on psychophysical symptoms within each time was also tested. Data were collected among 637 university students in April-2020 (n = 197), April-2021 (n = 200), April-2022 (n = 240). Results: In April-2022, perceived Isolation and Fear-of-Contagion decreased from the peak registered in April-2021, but stress related to Relationships-and-Academic-Life remained noteworthy high. A sharp and ongoing increase in psychophysical symptoms was found, with more than 50% of students reporting clinical levels of Sleep-Disorders, Depression, Psychoticism, and Interpersonal-Sensitivity. In April-2022, students still perceiving stress related to Relationships-and-Academic-Life and Isolation were at risk for Anxiety, Somatization, and Sleep-Disorders, while those still perceiving stress related to Fear-of-Contagion were also at risk for Depression, Obsessive-Compulsive, and Psychoticism. Conclusion: Findings emphasized the long-lasting detrimental effects of the COVID-19-related stress. Interventions must pinpoint the complex post-pandemic adjustment process and their effects on university students' psychophysical health.

The Vu Gia - Thu Bon River Basin (VG-TB) is confronting numerous challenges related to water security (WS), particularly in the face of the impacts of climate change. These challenges manifest in salinity intrusion, altered rainfall patterns, and reduced water supply in downstream areas. To assess the current state of water security in the basin, the study employed statistical analysis methods, Process Analysis Method (PAM), SMART, and Analytic Hierarchy Process (AHP) to develop a comprehensive Assessment Framework for Water Security (AFWS) in the VG-TB. The AFWS encompasses five key dimensions, 17 indicators, and 28 variables, aligning with the UN-Water definition of water security and addressing the Sustainable Development Goal 6 (SDG6) criteria for global water sustainability. It also adheres to the Asian Development Bank's (ADB) approach to water security assessment as outlined in the Asian Water Development Outlook (AWDO) reports. This allows for the computation of a comprehensive Water Security Index (WSI) for specific regions, serving as a foundation for decision-making and policy formulation aimed at enhancing water security in the context of climate change and facilitating sustainable basin development in the future.

The elasticity of red blood cells (RBCs) is crucial for their ability to fulfill their role in the blood. Decreased RBC deformability is associated with various pathological conditions. This study explores the application of machine learning to predict the elasticity of RBCs using both image data and detailed physical measurements derived from simulations. We simulated RBC behavior in a microfluidic channel. The simulation results provided the basis for generating data on which we applied machine learning techniques. We analyzed the surface-area-to-volume ratio of RBCs as an indicator of elasticity, employing statistical methods to differentiate between healthy and diseased RBCs. The Kolmogorov–Smirnov test confirmed significant differences between healthy and diseased RBCs, though distinctions among different types of diseased RBCs were less clear. We used decision tree models, including random forests and gradient boosting, to classify RBC elasticity based on predictors derived from simulation data. The comparison of the results with our previous work on deep neural networks shows improved classification accuracy in some scenarios. The study highlights the potential of machine learning to automate and enhance the analysis of RBC elasticity, with implications for clinical diagnostics.

One of the primary causes of the mechanical seal failure is rotor vibration. Traditional dynamic seal models often would not be able to fully explaining the failure mechanisms. The seal dynamic models proposed in this paper, including those developed by the authors, prove valuable in predicting seal dynamics during operation in specific turbomachinery and in explaining the causes of seal failure. The single-mass dynamic model is suitable for analyzing contact mechanical seal and simple design dry gas seals dynamics. The two-mass dynamic model is used for investigating operational dynamics processes in classical dry gas seals under complex loading conditions. The three-mass dynamic model is used to study various complex mechanical seal types. This model is able to determine the normal operating condition range and to explain leakage mechanisms in the presence of excessive rotor vibrations.

Among the various types of gas sensors, the chemoresistive gas sensors based on metal oxides are considered the most attractive ones due to their simple operation, low costs and miniaturization. Thin films of V2O5 undoped and doped with TiO2 were studied as nitrogen dioxide, methane and hydrogen sensors. The experimental kinetics of the electrical conductivity changes due to introduction and removal of gas on metal oxide gas sensors were successfully explained in terms of the Langmuir adsorption theory.

Every finite simple group P can be generated by two of its elements. Pairs of generators forP are available in the Atlas of finite group representations as (not necessarily minimal) permutation representations P . It is unusual but significant to recognize that a P is a Grothendieck’s dessin d’enfant D and that a wealth of standard graphs and finite geometries G - such as near polygons and their generalizations - are stabilized by a D. In our paper, tripods P − D − G of rank larger than two,corresponding to simple groups, are organized into classes, e.g. symplectic, unitary, sporadic, etc (as in the Atlas). An exhaustive search and characterization of non-trivial point-line configurationsdefined from small index representations of simple groups is performed, with the goal to recognize their quantum physical significance. All the defined geometries G's have a contextuality parameterclose to its maximal value 1.

Natural gas hydrate, also known as combustible ice and mainly composed of methane, it is identified as the potential clean energy in the 21th century. Due to its large reserves, gas hydrate can ease problems caused by energy resource shortage and has gained attention around the world. In this paper, we focus on the exploration and development of gas hydrate as well as discussing its status and future development trend in China and abroad, then we analyze its opportunities and challenges in China from four aspects: resource, technology, economy and police with five forces model and PEST method. The results show, China has abundance gas hydrate resource; however the backward technologies and inadequate investment has seriously hindered the future development of gas hydrate, so China should establish relevant cooperation framework and intuitional arrangement to attract more investment as well as breaking through technical difficulties to make gas hydrate commercialization as soon as possible.

Dynamic contrast-enhanced MRI (DCE-MRI) is increasingly used to quantify and map the spatial distribution of blood-brain barrier (BBB) leakage in neurodegenerative disease, including cerebral small vessel disease and dementia. However, the subtle nature of leakage and resulting small signal changes make quantification challenging. While simplified one-dimensional simulations have probed the impact of noise, scanner drift, and model assumptions, the impact of spatio-temporal effects such as gross motion, k-space sampling and motion artefacts on parametric leakage maps has been overlooked. Moreover, evidence on which to base the design of imaging protocols is lacking due to practical difficulties and the lack of a reference method. To address these problems, we present an open-source computational model of the DCE-MRI acquisition process for generating four-dimensional Digital Reference Objects (DROs), using a high-resolution brain atlas and incorporating realistic patient motion, extra-cerebral signals, noise and k-space sampling. Simulations using the DROs demonstrated a dominant influence of spatio-temporal effects on both the visual appearance of parameter maps and on measured tissue leakage rates. The computational model permits a greater understanding of the sensitivity and limitations of subtle BBB leakage measurement and provides a non-invasive means of testing and optimising imaging protocols for future studies.

In this work, we introduce the first pipeline that combines a refraction-aware Structure-from-Motion (SfM) method with a deep learning model specifically designed for airborne bathymetry. We accurately estimate the 3D positions of the submerged points by integrating refraction geometry within the SfM optimization problem. This way, no refraction correction as post-processing is required. Experiments with simulated data that approach the real-world capturing conditions demonstrate that SfM with refraction correction is extremely accurate, with submillimeter errors. We integrate our refraction-aware SfM within a deep learning framework that also takes into account radiometrical information, developing a combined spectral and geometry-based approach, with further improvements on accuracy and robustness to different seafloor types, both textured and textureless. We conducted experiments with real-world data at 2 locations in the southern Mediterranean Sea, with varying seafloor types which demonstrate the benefits of refraction correction for the deep learning framework. We open-source our refraction-aware SfM, providing researchers in airborne bathymetry with a practical tool to apply SfM in shallow water areas.

The present study seeks to assess the Brand Equity in the network of new fashion designers in the Canary Islands. To this end, we have adapted the Brand Equity model to an online context and proposed a set of metrics for four dimensions: estimate, relevance, awareness, and differen-tiation. The multidimensional approach to online Brand Equity was employed to measure the online Brand Equity of 129 fashion designers from the Canary Islands. The study's findings re-vealed that the number of social media profiles significantly impacts brand awareness and dif-ferentiation. Moreover, the digital maturity level influences brand relevance and overall Brand Equity . Our study highlights the practical value of web data-driven metrics for measuring online Brand Equity , which can be utilised for diagnostic, evaluative, or predictive purposes. The study's outcomes have substantial implications for marketers in the fashion industry aimed at improving online Brand Equity

In this paper we describe a method which combines sentiment analysis with machine learning techniques and/or multivariate statistical analysis. By applying this methodology it is possible to classify a collection of texts into two or more groups or clusters. On the basis of a number of previously defined clusters, the novelty of the outlined approach is the use of the sentiment analysis results as input to the machine learning model or multivariate statistical analysis. Once the classifier has been obtained, we can assign a given text into one of the pre-established clusters. The groups or clusters can represent different time periods, classes of texts transcribed from different conversations, etc. The method is illustrated through an example taken from one of the two studies in which we have applied this methodology. In one of the studies, the method was used to classify press news of a volcanic eruption, while in the other study it was used to classify the conversations recorded between a chatbot with different kinds of speakers (humans or chatbots). This last study was the seminal work in which we introduced this methodology.

There are considerable benefits in applying Artificial Intelligence to automation in modern industries including Oil and Gas Industries. Oil and Gas Industries have many complex systems in their production and flow line. The failure of gas equipment will have serious consequences including financial and environmental issues. Condition monitoring of oil and gas equipment provides the condition of components, machines, systems, equipment, data hardware, and even software. The predictive maintenance and industry 4.0 applications have more advantages in petrochemical industries to make a safer economic environment and this paper addresses the Artificial Intelligence (AI) application of condition monitoring for Oil and Gas Industries. To understand the effectiveness of AI in condition monitoring for oil and gas industries, a case study related to the condition monitoring of drilling machine is conducted and applied Artificial Neural Network (ANN) algorithm to analyze and predict the potential failures. The novelty of this work is the proposal of an approach for tool wear monitoring in drilling using acoustic emission sensors for feature extraction and considering wavelet packet decomposition for further analysis. The extracted features from WPD are given as input for ANN to identify the healthiness of the drill bit and machine. This work aims to find the effectiveness of AI-based condition monitoring in enhancing effectiveness of monitoring and the safety of equipment in Oil and Gas Industries.

In this research, the computational fluid dynamic (CFD) approach that has been used in wind power generation field was applied for the solution of the problems of local strong wind areas in railway fields, and the mechanism of wind generation was discussed. At the same time, the affectivity of the application of computational fluid dynamic approach to railway field was discussed. The problem of local wind that occurs on the railway line in winter was taken up in this research. A computational simulation for the prediction of wind conditions by LES was implemented and it was clarified that the local strong wind area is mainly caused by separated flows originating from the small‐scale terrain positioned at its upstream (at approximately 180.0 m above sea level). Meanwhile, the effects of the size of calculation area and spatial grid resolution on the result of calculation and the effect of atmospheric stability were also discussed. It was clarified that when the air flow characteristic of the separated flow originating from the small‐scale terrain (at altitude of approximately 180.0 m) targeted in this research is reproduced at high accuracy by computational simulation of wind conditions, approximately 10.0 m of spatial resolution of computational grid in horizontal direction is required. As a result of the computational simulation of wind conditions of stably stratified flow (Fr = 1.0), lee waves were excited at the downstream of the terrain over time. As a result, the reverse‐flow region lying behind the terrain that had been observed at a neutral time was inhibited. Consequently, local strong wind area was generated at the downstream of the terrain and the strong wind area passing through the observation mast was observed. By investigating the speed increasing rate of local strong wind area induced at the time of stable stratification, it was found that the wind was approximately 1.2 times stronger than what was generated at a neutral time.