There is a continuous growth of heat pump installations in residential buildings in Germany. The heat pumps were not only used for space heating and domestic hot water consumption but also to offer flexibility to the grid. the high coefficient of performance and the low cost of heat storages made the heat pumps an optimal candidate for the power to heat applications. Thus, several questions are raised about the optimal integration and control of the heat pump system with buffer storages to maximize its operation efficiency and minimize the operation costs. In this paper, an experimental investigation is performed to study the performance of a ground source heat pump (GSHP) with a combi-storage under several configurations and control factors. The experiments were performed on an innovative modular testbed that is capable of emulating a ground source to provide the heat pump with different temperature levels at different times of the day. Moreover, it can emulate the different building loads such as the space heating load and the domestic hot water consumption in real-time. The data gathered from the testbed and different experimental studies were used to develop a simulation model based on Modelica that can accurately simulate the dynamics of a GSHP in a building. The model was validated based on different metrics. Energetically, the difference between the developed model and the measured values was only 3.08\% and 4.18\% for the heat generation and electricity consumption, respectively.

The construction industry of Ukraine shall not only recover but also to upgrade, enhance and reevaluate projects of existing buildings. Further research raises simultaneously two pertinent issues for Ukraine - retrofitting as well as reconstruction of destroyed infrastructure. The priority objective of the research is to restore damaged and ruined buildings rapidly. It may be achieved by means of a creation of recovery methods in Ukraine and countries in the post-conflict stage of development. The approach implies using Building Information Modeling (BIM) and Artificial Intelligence of things (AIoT) to make reconstruction faster, better and less costly. In addition, we acquire a reduction of energy consumption and increase in the lifespan of the building by choosing retrofitting methods. The effectiveness of BIM and AIoT technologies allows imple-menting modern requirements to reduce the time and cost of design, optimize design solutions based on experience in designing new buildings and structures, providing the necessary infor-mation support of the investment project throughout its life cycle.

With the advancement of Additive Manufacturing and its applications in various industrial segments, it becomes increasingly important to investigate the processability parameters associated with nano-reinforcement. This study examines the influence of infill parameters, such as patterns (hexagonal, triangular and concentric), shape (solid and honeycomb) and concentrations by mass of Carbon Nanotubes (CNTs) at 1.0 wt% and 2.0 wt% on the mechanical compression properties of the 3D printed material. In this sense, nanocomposites based on Polylactic Acid (PLA) matrix nano-reinforced by CNTs were characterized using the Scanning Electron Microscopy -SEM, X-ray Diffraction, Raman Spectroscopy techniques and mechanical analysis. The mechanical properties of both the matrix and the nanocomposites were determined through mechanical compression tests, in accordance with [1]. SEM revealed compacted regions, voids, and detachment in the structures. XRD characterization indicated PLA predominantly amorphous nature, while CNTs exhibited characteristic diffractions of carbon nanotubes. Raman characterization showcased bands and characteristic vibrations of CNTs and PLA, nanocomposites' vibrational modes combine those of CNTs and PLA. Mechanical compression analysis indicates a direct influence of infill pattern, shape, and nano-reinforcement. The triangle pattern outperformed other patterns, exhibiting a 15.03% increase compared to concentric and 8.8% compared to hexagon infill. In nanocomposites, all showed higher compressive strength than the matrix. For PLA/1.0%CNTs, strength was 16.8%, and for PLA/2.0%CNTs, it reached 39.2%. In honeycomb shapes with infill variations, the triangular pattern excelled with a 0.97% increase over concentric and 6.12% over hexagon patterns. Honeycomb results indicate a 59.6% increase for (PLA/1.0%CNTs) and a 0.48% increase for (PLA/2.0%CNTs) compared to the matrix. This study highlights 3D printing parameters, emphasizing the effectiveness of the triangular pattern and the enhanced strength with the addition of CNTs, providing insights to enhance products manufactured through Additive Manufacturing.

In the present time, the biggest problem of the world is the outbreak of novel coronavirus. Novel coronavirus (COVID-19), this one name has become a part of our daily lives over the past few months. Beyond the boundaries of medical science, coronavirus is now the main subject of research in all fields like Applied Mathematics, Economy, Philosophy, Sociology, Politics upto living room. The epidemic has brought unimaginable changes in our traditional habits and daily routines. Thousands of people in our country are fighting with the rest of the world to survive in various new situations. There are different kinds of coronavirus appeared in different times. In this time, Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is responsible for the coronavirus disease of 2019 (COVID-19). This virus was first identified towards the end of 2019 in the city of Wuhan in the province of Hubei in China. Within very short duration of time and very fast, it has spread throughout a large part of the world. In this study, the main aim is to investigate the spreading rate, death rate, recovery rate due to corona virus infection and to study the future of the coronavirus in India by using mathematical modeling based on the previous data. Mathematical models, in this situation, are the important tools in recruiting effective strategies to fight this epidemic. India is at high risk of spreading the disease and is facing many losses in socio-economic aspects. With current infection rates and existing levels of personal alertness, the number of infected people in India will increase at least in the next three months. Proper social awareness, maintain of social distance, large rate of testing and separation may break the chain of the Coronavirus-2.

In the present work, a novel and the robust computational investigation is carried out to estimate solubility of different acids in supercritical carbon dioxide. Four different algorithms such as radial basis function artificial neural network, Multi-layer Perceptron (MLP) artificial neural network (ANN), Least squares support vector machine (LSSVM) and adaptive neuro-fuzzy inference system (ANFIS) are developed to predict the solubility of different acids in carbon dioxide based on the temperature, pressure, hydrogen number, carbon number, molecular weight, and acid dissociation constant of acid. In the purpose of best evaluation of proposed models, different graphical and statistical analyses and also a novel sensitivity analysis are carried out. The present study proposed the great manners for best acid solubility estimation in supercritical carbon dioxide, which can be helpful for engineers and chemists to predict operational conditions in industries.

Coproporphyrins I and III (CP-I and CP-III) are established as substrates of hepatic sinusoidal organic anion transporting polypeptides (Oatps), multidrug resistance-associated protein 3 (Mrp3), and canalicular transporter Mrp2. We aimed to evaluate the potential of plasma CP-I and CP-III concentrations to indicate functional changes in hepatic transporters in nonalcoholic stea-tohepatitis (NASH) rodent models using modeling and simulation approach. Mechanistic copro-porphyrins (CP-I and CP-III) models in rats and mice were constructed based on metabolism, transport, and elimination pathways in rodents. To parameterize the rat mechanistic model, we measured CP concentrations in plasma, liver, bile, and urine in healthy control Sprague Dawley rats. The mouse mechanistic model was parameterized using published data. The rat and mouse CP models described the steady-state levels of CP-I and CP-III in plasma, liver, and bile. The model recapitulated the observed high plasma CP-III / CP-1 ratio (9- and 3-fold in rats and mice, respec-tively) and elimination pathways of CP-I (>90% via biliary secretion) and CP-III (equal via bile and urine). Rat CP model was further validated with the published rat fistula model. The simulated increased plasma CP-I concentrations (4-fold), resulted from decreased Oatp activity (0.6-fold) and increased Mrp3 activity (3-fold) were comparable to those observed in bile-duct ligated NASH model. Sensitivity analysis revealed that 90% inhibition of Oatp and Mrp2 leads to a 4-fold and 2.5-fold increase in plasma CP-I levels, respectively. Additionally, we demonstrated the utility of the mechanistic CP models in testing hypothesis and understanding the mechanisms of the ob-served plasma CPs disposition in the Oatp knockout (KO) mice, bile-duct ligation NASH mice, and Mrp2 deficient TR- rats. Collectively, using a mechanistic model, we conclude that CP-I is a robust and predictable marker for assessing change in the activity of Oatps and Mrps in animal models. Our analysis suggests that efflux transporters (Mrp2 and Mrp3) can play an important role in the disposition of CP-I along with Oatp transporters in rodents.

Sea-level rise is a problem increasingly affecting coastal areas worldwide. The existence of Free and Open-Source Models to estimate the sea-level impact can contribute to better coastal man-agement. This study aims to develop and to validate two different models to predict the sea-level rise impact supported by Google Earth Engine (GEE) – a cloud-based platform for planetary-scale environmental data analysis. The first model is a Bathtub Model based on the uncertainty of projections of the Sea-level Rise Impact Module of TerrSet - Geospatial Monitoring and Modeling System software. The validation process performed in the Rio Grande do Sul coastal plain (S Brazil) resulted in correlations from 0.75 to 1.00. The second model uses Bruun Rule formula implemented in GEE and is capable to determine the coastline retreat of a profile through the creation of a simple vector line from topo-bathymetric data. The model shows a very high cor-relation (0.97) with a classical Bruun Rule study performed in Aveiro coast (NW Portugal). The GEE platform seems to be an important tool for coastal management. The models developed have been openly shared, enabling the continuous improvement of the code by the scientific commu-nity.

Sea-level rise is a problem increasingly affecting coastal areas worldwide. The existence 15 of Free and Open-Source Models to estimate the sea-level impact can contribute to better coastal 16 management. This study aims to develop and to validate two different models to predict the 17 sea-level rise impact supported by Google Earth Engine (GEE) – a cloud-based platform for plan-18 etary-scale environmental data analysis. The first model is a Bathtub Model based on the uncer-19 tainty of projections of the Sea-level Rise Impact Module of TerrSet - Geospatial Monitoring and 20 Modeling System software. The validation process performed in the Rio Grande do Sul coastal 21 plain (S Brazil) resulted in correlations from 0.75 to 1.00. The second model uses Bruun Rule for-22 mula implemented in GEE and is capable to determine the coastline retreat of a profile through the 23 creation of a simple vector line from topo-bathymetric data. The model shows a very high correla-24 tion (0.97) with a classical Bruun Rule study performed in Aveiro coast (NW Portugal). The GEE 25 platform seems to be an important tool for coastal management. The models developed have been 26 openly shared, enabling the continuous improvement of the code by the scientific community.

A transport process was studied from an aqueous solution containing oxalic acid and 100 mg/L Ge using a flat sheet supported liquid membrane (FSSLM) system. Cyanex 923 immobilized in a polytetrafluoroethylene membrane was employed as a carrier. The solution chemistry and related diagrams were applied to study the transport of germanium. The effectual parameters such as oxalic acid, carrier concentration, and strip reagent composition were evaluated in this study. Based on the results, the oxalic acid concentration of 0.075 mol/L and the carrier concentration of 20 %v/v were the condition in which the efficient germanium transport occurred. Among strip reagents, NaOH (0.04-0.1 mol/L) had the best efficiency to transport germanium through the SLM system. Furthermore, the permeation model was obtained to calculate the mass transfer resistances of the membrane (Δ_m) and feed (Δ_f) phases. According to the results, the values of 1 and 1345 s/cm were evaluated for Δ_m and Δ_f, respectively.

Effective water resources management requires assessments of water availability within a framework of complex institutions and infrastructure employed to manage extremely variable stream flow shared by numerous often competing water users and diverse types of use. The Water Rights Analysis Package (WRAP) modeling system is fundamental to water allocation and planning in the state of Texas in the United States. Integration of environmental flow standards into both the modeling system and comprehensive statewide water management is a high priority for continuing research and development. The public domain WRAP software and documentation are generalized for application any place in the world. Lessons learned in developing and implementing the modeling system in Texas are relevant worldwide. The modeling system combines: (1) detailed simulation of water right systems, interstate compacts, international treaties, federal/state/local agreements, and operations of storage and conveyance facilities; (2) simulation of river system hydrology; and (3) statistical frequency and reliability analyses. The continually evolving modeling system has been implemented in Texas by a water management community that includes the state legislature, planning and regulatory agencies, river authorities, water districts, cities, industries, engineering consulting firms, and university researchers. The shared modeling system contributes significantly to integration of water allocation, planning, system operations, and research.

In this paper, we introduce Syntax-Enhanced Transformer Model (SET), a groundbreaking approach in the realm of Transformer-based language modeling that seeks to redefine the boundaries of linguistic analysis and comprehension. SET innovatively combine (i) the well-established high-level performance, scalability, and adaptability of traditional Transformers with (ii) a sophisticated analysis of syntactic structures. This synergy is enabled by a novel attention mechanism tailored to parse syntactic nuances and a deterministic process adept at transforming linearized parse trees into meaningful linguistic representations. Our comprehensive experiments reveal that SET significantly advance the field by surpassing existing benchmarks in sentence-level language modeling perplexity. They exhibit exceptional proficiency in tasks that require an acute awareness of syntax, setting new standards for language models in understanding complex linguistic structures. Furthermore, SET demonstrate an enhanced capability to grasp nuanced linguistic patterns that have traditionally been challenging for standard Transformer models. However, our studies also uncover a unique aspect of SET: while they excel in sentence-level tasks, their representation of sentences as singular vectors—owing to the syntactic composition constraints intrinsic to their design—introduces certain limitations in document-level language modeling. This observation points to an intriguing area for future exploration; it suggests the potential need for an alternative or complementary memory mechanism within Transformer models, one that functions independently from, yet in harmony with, syntactic structures. Such a mechanism could be pivotal in enhancing the model's ability to comprehend and process long-form texts effectively. In conclusion, SET mark a significant stride in the journey towards more sophisticated, syntax-aware language models. They offer promising insights into the integration of deep linguistic knowledge with cutting-edge machine learning techniques, potentially opening doors to a new era of natural language understanding and processing.

The art of representing source code is pivotal in numerous programming analysis applications. Recent strides in neural networks have marked notable successes in this realm. However, the peculiar structural characteristics inherent in programming languages have not been fully exploited in existing models. While neural models based on abstract syntax trees (ASTs) adeptly manage the tree-like nature of source codes, they fall short in discerning the diverse substructural nuances within programs. This paper introduces the Dynamic Syntax Tree Model (DSTM), an innovative approach that fuses various neural network modules into tree architectures tailored to the specific AST of the input. Distinct from preceding tree-based neural models, DSTM adeptly discerns the semantic variances across different AST substructures. We validate DSTM through rigorous testing in program classification and code clone detection, outperforming contemporary methods and demonstrating the benefits of harnessing intricate source code structures.

The aim of this paper is to examine the beneficial impact of feedback information in the dynamics of production-inventory control systems. Two production-inventory control system models are analyzed: APIOBPCS and 2APIOBPCS models. The simulation-based experiment designs were conducted by using the state-space equations of the two models. The bullwhip effect as measured by the variance ratio between the order rate and the consumption rate, and inventory responsiveness as measured by the Integral of Absolute Error between the actual and the target levels of inventory, are two metrics used to evaluate the performance of the production-inventory control system in response to a random customer demand. To ensure that both models work under optimal performance, multi-objective particle swarm optimization (MOPSO) is employed to address the problem of tuning the controller’s parameters. The simulation results show the 2APIOBPCS model outperforms the APIOBPCS model at achieving the desired bullwhip effect and being able to provide better inventory responsiveness. The improvement in the inventory responsiveness becomes more significant when the system operates under mismatched lead time and/or an initial condition.

Helmeted hornbill (Rhinoplax vigil) is a protected wildlife in Indonesia according to enactment no. 5, 1999 about Conservation of Natural Resources and its Ecosystems and Government Regulation no. 9, 1999 about plant and wildlife preservation. Helmeted Hornbill habitats spread in five country regions: Myanmar, Thailand, Malaysia (Malayan Peninsula and Serawak), Brunei, and Indonesia (Sumatra and Borneo). Silokek Geopark which located in Sijunjung Regency, West Sumatra Province, Indonesia is an identified location of Helmeted Hornbill habitat existence. Beside its uniqueness in physics, this bird also have an ecological function as seed dispersal in nature. The utilization of Remote Sensing (RS) technology and and Geographic Information System (GIS) is highly useful in identification the Helmeted Hornbill habitat distribution in this research. Geographic dateset used in this research are Landsat OLI 8 imagery, Shuttle Radar Topographic Model (SRTM), Coordinate points of Helmeted Hornbill existence and location assesment, and other dataset related to administration boundary in Silokek Geopark. This research aims to find conservation priority zone of Helmeted Hornbill in Silokek Geopark. By utilizing Maximun Entropy (MaxEnt) algorithm with finding points and location assessment, we can determine the distribution of Helmeted Hornbill habitat in Silokek Geopark based on habitat likeness. This research produces the model of conservation priority zones in geopark silokek which are distributed in hilly protected forest area and the distributions are concentrated in the center and noth east part of our researc area. This model is highly influenced by forest texture (25.7%), distance of patches (24.3%), and distance of settlement.

Constitutive models for plastic deformation of metals are typically based on flow rules determining the transition from elastic to plastic response of a material as function of the applied mechanical load. These flow rules are commonly formulated as a yield function, based on the equivalent stress and the yield strength of the material, and its derivatives. In this work, a novel mathematical formulation is developed that allows the efficient use of machine learning algorithms describing the elastic-plastic deformation of a solid under arbitrary mechanical loads and that can replace the standard yield functions with more flexible algorithms. By exploiting basic physical principles of elastic-plastic deformation, the dimensionality of the problem is reduced without loss of generality. The data-oriented approach inherently offers a great flexibility to handle different kinds of material anisotropy without the need for explicitly calculating a large number of model parameters. The applicability of this formulation in finite element analysis is demonstrated, and the results are compared to formulations based on Hill-like anisotropic plasticity as reference model. In future applications, the machine learning algorithm can be trained by hybrid experimental and numerical data, as for example obtained from fundamental micromechanical simulations based on crystal plasticity models. In this way, data-oriented constitutive modeling will also provide a new way to homogenize numerical results in a scale-bridging approach.

Force reduction is one of the most important benefit of applying ultrasonic vibration on milling. However, most of studies so far are limited to experimental investigation. In the current study, an analytical predictive model on cutting forces in ultrasonic vibration-assisted milling is proposed. The three types of tool-workpiece criteria are considered based on the instantaneous position and velocity of tool center. Type I criterion indicates that there is no contact if the instantaneous velocity is opposite to tool rotation direction. Type II criterion checks whether the vibration displacement is larger than the instantaneous uncut chip thickness. Type III criterion considers the overlaps between current and previous tool paths due to vibration. If none of these criteria is satisfied, milling forces are nonzero. Then the calculation is performed by transforming milling and tool geometry configuration to orthogonal cutting at each instant. The orthogonal cutting forces are predicted through the exhaustive search of shear angle and calculation of shear flow stress on tool-chip interface. The axial force is then calculated based on tool geometry, and the milling forces in feed, cutting, and axial directions are calculated after coordinate transformation. The proposed predictive force model in ultrasonic vibration-assisted milling is validated through comparison to experimental measurements on Aluminum alloy 2A12. The predicted values are able to match the measured milling forces with high accuracy of average difference of 13.6% in feed direction and 13.8% in cutting direction.

In modern automobiles, Infotainment High-Performance Computing (HPC) systems play a vital role in enhancing the capabilities of drivers and passengers by providing advanced features consisting of music, navigation, communication, entertainment, etc. However, as the use of information technology in vehicles increases, it results in cybersecurity threats such as data breaches and the loss of sensitive information. To improve the security of the infotainment system in automotive vehicles, the research conducted threat modeling at the component level using Microsoft’s STRIDE tool and performed risk assessment by using SAHARA (Safety-Aware Hazard Analysis and Risk Assessment) and DREAD methodologies to evaluate associated risks. It provides a systematic representation of threats, associated risks, and generic mitigation strategies to counter cybersecurity attacks. Through the threat modeling process, 34 potential security threats were identified. The study also provided a comparative analysis to calculate the risk values of the threats to prioritize for treatment. These identified threats and associated risks need to be considered to avoid potential cyberattacks, before deploying the infotainment HPC system in real-world automotive vehicles.

The information about the BCoV receptors, co/receptors that might be involved in the BCoV entry to the host cells is inconceivable. In addition to that, the roles of other host cell proteases, such as Furin and TMPRSS2, have not yet been well studied during BCoV replication. The current study’s main objectives are to identify some novel BCoV receptors and host cell proteases that might fine-tune the BCoV replication, tissue tropism, and molecular pathogenesis. We used a combination of some in silico prediction, molecular docking, and gene expression profile tools to predict some new BCoV receptors out of some known other coronavirus receptors and some host cell enzymes that are potentially involved in BCoV replication. To achieve these goals, we applied the in-silico prediction tools to check the potential interactions between eh BCoV/S glycoprotein and some known coronaviruses receptors (ACE2, APN1, NPR1, CECAM-1, AXL, and DPP4). We also established some potential models for the interaction between the BCoV/S and some common host cell proteases proved to play important roles in other coronavirus replication cycle (Furin, TMPRRS2, and Cathepsin-L). To confirm our prediction models, we assessed the gene expression profiles of these potential receptors and proteases in some bovine cell lines infected with BCoV using the next generation sequencing and the qRT-PCR assay. Our results show that the NPR1, AXL1 and the ACE2 have the strongest and firm binding affinities to the BCoV-S protein. Our prediction models and gene expression profiles show the potential bindings of the Furin and TMPRSS2 to the BCoV-S polybasic cleavage site (RRSRR|A). Notably, high expression of the host cell Furin was observed in response to both BCoV/Ent and BCoV/Resp infection, whereas TMPRSS2 expression was upregulated in the case of the BCoV/Ent infection, positioning Furin as a common receptor for different BCoV isolates. Further research is needed to study the roles of these top-ranked receptors and host cell proteases in molecular pathogenesis, and tissue tropism.

The early-mid Paleocene Farewell Formation is stratigraphically distributed across the southern Taranaki Basin (STB) which is also encountered within the Maui Gas Field. Using available 3D seismic and well log data, a challenging task to delineate the spatial distribution and geobody patterns of the potential reservoir sands of the formation was performed. Object based modeling coupled with sequential indicator simulation were used to analyze the spatial distribution of facies configuration and a conceptual model was developed based on the outputs from the structurally- modeled grids. The facies modeling followed a hierarchical object-based mechanism which was set to perform with constraints like channel geometry and heterogeneity within the formation. The resultant 3D geobody model showed that the distributary channels, mainly braided geobodies flowed from northeast cutting through several regional normal-fault systems to the southwest. Overbank facies was adhered to the fringe of the channels whereas the floodplain facies was at the periphery of the model. Meandering channel-sand facies were mostly observed at the center of the model flowing in a more random manner, occupying major flow directions of northwest to southwest and southeast to northwest within the model.

SGLT2 inhibitors act to induce glucosuria and have been shown to be efficacious in the treatment of type II diabetes mellitus but have also been shown to positively affect cardiovascular conditions and some benefitting kidney function. SGLT2i have shown to be effective in more advanced conditions but may eventually be a treatment in more general metabolic dysfunction. Metabolic syndrome is a clinical diagnosis for establishing risk for ischemic heart disease and diabetes. The prevalence of type II diabetes mellitus, heart disease, and severe vascular events steadily increased over recent decades. In addition to the established benefits of diet and exercise, SGLT2 inhibitor therapy may be able to aid in the treatment of metabolic syndrome from its proven cardiovascular and anti-hyperglycemic benefits. Pharmacologic modeling in canines is also considered, as they present with similar diagnoses and offer a model that shares many of the characteristics of humans in metabolic dysfunction.

This pioneering study presents an in-depth biomechanical examination of soccer's diving header, aiming to quantify its impact on ball speed enhancement (BSE) and effective offensive range (EOR). Despite the diving header's widespread acclaim and historical significance, there remains a dearth of scientific scrutiny into its biomechanical intricacies. Employing an innovative research design featuring a static hanging ball at varied offensive distances and heights, the study replicates diverse header scenarios. The results of 3D motion quantification have shown that a physically excellent player (identified through the maximal standing long jump test) could reach an EOR around 2.64 times his body height. Furthermore, the study unveils that proficient players could attain BSE surpassing 9 m/s, signifying the diving header's heightened efficacy compared to traditional heading techniques, which could only result in 4.5 m/s. Correlation analyses unveil noteworthy relationships, highlighting the pivotal role of head speed at impact and the influence of minimizing speed-drop and temporal disparities for amplified effectiveness. Considerations for optimizing diving header execution are introduced, emphasizing the necessity for targeted training programs. Despite acknowledged limitations inherent to its pilot nature, this exploration furnishes foundational knowledge to guide subsequent research and practical applications, providing valuable insights into soccer training and skill development through a biomechanical lens.

This study focused on the predictive models incorporating machine learning techniques that induce new dynamics for forecasting energy generation, enabling effective planning, financing, and system monitoring. The research developed a machine learning-based power generation prediction model tailored explicitly for Kenya's Garissa solar power plant. The selected model demonstrated a root mean squared error of 5.23 during evaluation, resulting in a prediction accuracy of 90.42%. This high accuracy indicates that the model can be relied upon for precise generation prediction, facilitating effective planning, and system performance monitoring

This study explores the use of satellite-based LULC (Land Use / Land Cover) data while simultaneously correcting potential evapotranspiration (PET) input with Leaf Area Index (LAI) to increase the performance of a physically distributed hydrologic model. The mesoscale hydrologic model (mHM) was selected for this purpose due to its unique features. Since LAI input informs the model about vegetation dynamics, we incorporated the LAI based PET correction option together with multi-year LULC data. The Globcover land cover data was selected for the single land cover cases, and hybrid of CORINE (coordination of information on the environment) and MODIS (Moderate Resolution Imaging Spectroradiometer) land cover datasets were chosen for the cases with multiple land cover datasets. These two datasets complement each other since MODIS has no separate forest class but more frequent (yearly) observations than CORINE. Calibration period spans from 1990 to 2006 and corresponding NSE (Nash-Sutcliffe Efficiency) values varies between 0.23 and 0.42, while the validation period spans from 2007 to 2010 and corresponding NSE values are between 0.13 and 0.39. The results revealed that the best performance is obtained when multiple land cover datasets are provided to the model and LAI data is used to correct PET, instead of default aspect-based PET correction in mHM. This study suggests that to minimize errors due to parameter uncertainties in physically distributed hydrologic models, adequate information can be supplied to the model with care taken to avoid over-parameterizing the model.

On the primitive Earth, both L- and D-amino acids would have been present. However, only L-amino acids are essential blocks to construct proteins in modern life. To study the relative stability of D-amino acid substituted peptides, a variety of computational methods were applied. Ten prebiotic amino acids (Gly, Ala, Asp, Glu, Ile, Leu, Pro, Ser, Thr, and Val) were previously determined by multiple meteorite, spark discharge, and hydrothermal vent studies. Some previously reported early Earth polypeptide analogs were focused on in this study. Tripeptides composed of only Asp, Ser, and Val exemplified that different positions (i.e., N-terminus, C-terminus, and middle) made a difference in the minimal folding energy of peptides, while the chemical classification of amino acid (hydrophobic, acidic, or hydroxylic) did not show a significant difference. Hierarchical cluster analysis for dipeptides with all possible combinations of the proposed ten prebiotic amino acids and their D-amino acid substituted derivatives generated five clusters. Primordial simple polypeptides were modeled to test the significance of molecular fluctuations, secondary structure occupancies, and folding energy differences based on these clusters. We found peptides with α-helices, long β-sheets, and long loops are usually less sensitive to D-amino acid replacements in comparison to short β-sheets. Intriguingly, amongst 129 D-amino acid residues, mutation sensitivity profiles presented that the ratio of more to less stable residues was about 1. In conclusion, some combinations of a mixture of L- and D-amino acids can potentially act as essential building blocks of life.

The article analyzes the transitional mode of movement of a passenger train caused by emergency braking by the driver. To study the possibility of derailment of passenger cars, a simulation model of the movement of a train consisting of a locomotive and twenty passenger cars was developed in the Universal Mechanism software environment, designed to study the dynamics and kinematics of mechanical systems, which include railway rolling stock. The developed model allows taking into account the longitudinal, transverse and vertical vibrations of all cars and locomotive. All bodies in the model are assumed to be absolutely rigid. The assumption of non-deformability of the bodies is based on the fact that the stiffness of the spring suspension and elastic connections is significantly less than the structural rigidity of the bogie frames and the bolster structure, and the frequency of elastic vibrations of these bodies is much higher than the frequency of their vibrations on the spring suspension. Passengers and cargo in a wagon are considered to be non-deformable and integral with the wagon body, similarly in the case of a locomotive body. Between the elements of the system, connections are involved that regulate certain relative movements of these elements.

Choosing the optimal location for a city based on sound environmental geomorphology planning is of the utmost importance to achieving environmental sustainability, as it can spare the State and other decision-making entities a great deal of stress in the long run. GIS offers great potential for environmental planners to choose the most appropriate places for the cities of the future, especially when coupled with environmental geomorphological analyses. The State of Kuwait seeks sustainable development through the implementation of clear and specific urban plans, some of which suffer from a severe lack of geomorphological and spatially based environmental planning. This study aims to: 1) Conduct suitability modelling for establishing new cities in Kuwait, 2) Assess the current 2005-2030 urban plan, and 3) Propose possible recommendations and solutions for potential urban problems. The study relies on integrating several methods to devise a framework that will aid researchers and decision-makers in selecting optimal locations for built structures based on analysis and modelling (e.g., digital elevation model, geologic mapping, geomorphology, natural hazards, heritage/archaeological sites, military areas, oil fields, soils). Using this methodology in choosing city sites contributes to achieving sustainable development, reducing city problems, saving countries’ budgets, and saving lives. Results from this study enhance understanding of how environmental geomorphology, when combined with GIS, can be harnessed to achieve sustainable urban development in the Arabian Gulf countries and other desert countries.

After 40 years of the discovery of metallocene catalysts, there are still several aspects that remain unresolved, especially when the “conventional” alkylaluminum activators are not used. Herein, we systematically investigate the synthesis of PE via three different zirconocene catalysts, with different alkyl substituents, activated via different organoboron compounds. The polymerization behavior, as well as the properties of the materials, are evaluated. The results demonstrate that the highest catalytic activity is shown by Bis(cyclopentadienyl)dimethylzirconium activated by trityl tetra(pentafluorophenyl)borate. Also finding that toluene is the optimum solvent for these systems and at these reaction conditions. Moreover, to validate our experimental results, a comprehensive mathematical model is developed on the basis of thermodynamic and kinetic principles. The concentration of ethylene transferred to the solvent phase (toluene) in a liquid-vapor equilibrium (LVE) system is estimated based on the Duhem’s theorem. Arrhenius expressions for the kinetic rate constants of a proposed kinetic mechanism are estimated by a kinetic model, in which the rate of polymerization is fitted by a least-square optimization procedure and the molecular weight averages by the method of moments. The simulations of the coordination polymerization suggest the presence of two types of active sites, principally at low temperatures, and the reactivation of the deactivated sites via a boron-based activator. However, the effect of the temperature on the reactivation step is no clear; a deeper understanding via designed experiments is required.

This study introduces a robust methodology utilizing Multi-Criteria Decision Analysis (MCDA) combined with the Analytic Hierarchy Process (AHP) to repurpose abandoned hydrocarbon fields for energy storage, supporting the transition to renewable energy sources. We use a geostatistical approach integrated with Python scripting to analyze reservoir parameters—including porosity, permeability, thickness, lithology, temperature, heat capacity, and thermal conductivity—from a decommissioned hydrocarbon field in Southeast Hungary. Our workflow leverages stochastic simulation data to identify potential zones for energy storage, categorizing them into high, moderate, and low suitability scenarios. This innovative approach provides rapid and precise analysis, enabling effective decision-making for energy storage implementation in depleted fields.

Drilling operation is the major cost factor for the industry. Appropriately designed operations are essential for successful drilling. Optimized drilling operations also allow enhanced drilling performance and reduce the drilling cost. This is achieved by increasing the bit life (minimizing premature bit wear), drilling faster that allows reducing drilling time, and also reducing tripping operations. The paper presents two parts. The first part compares the parametric physic-based swab and surge simulation results obtained from Bingham Plastic, Power Law, and Robertson and Stiff models. The aim is to show how the model predictions deviate from each other. Two 80-20 Oil Water ratios (OWR) and two 90-10 OWR oil-based drilling fluids with 1.96 sg and 2.0 sg were considered in vertical- and deviated wells. Simulation results analysis revealed that the deviations depend on the drilling fluid’s physical and rheological parameters as well as the well trajectory. Moreover, the model’s predictions were inconsistent. Data-driven machine learning (ML) modeling makes up the second section. Data-driven modeling was done using both software-generated datasets and field datasets. Results show that the Random Forest Regressor (RF), Artificial Neural Network (ANN), Long Short-Term Memory (LSTM), LightGBM, XGboost, and Multivariate regression models predict the training and test datasets with higher R-squared and minimum root means square values. Deploying the ML model in real-time applications and the planning phase would have the potential application of artificial intelligence for well planning and optimization processes.

This study evaluated eight herbal and fruit teas to produce kombucha beverages. Besides, the effect of initial sucrose concentration (10, 40, and 70% w/v) on kombucha fermentation from tea extracts was investigated. Kinetic characterization and modeling of kombucha fermentation were also performed. Results showed that kombucha beverages' characteristics and chemical content changed according to tea type and initial sucrose concentration. It was determined that as initial sucrose concentration increased, the consumed substrate concentration increased. The highest total biomass values were determined when green tea and pomegranate tea were supplemented with 70 g/L sucrose. The highest total phenolic content and antioxidant activity were achieved with green tea samples. The total acidity and phenolic substance concentration increased as fermentation progressed in general. The kinetic parameters including maximum consumption rate, sugar utilization, yield, biomass yield, maximum biomass, total acidity, phenolic production rate, and the phenolic result were computed depending on changing substrate concentration. Concerning kinetic modeling, proposed models (Logistic and Luedeking-Piret models) estimated satisfactorily experimental substrate consumption and total acidity values. Besides, total acidity was associated with the substrate consumption.

In recent years, metabolomics has been used as a powerful tool to better understand the physiology of neurodegenerative diseases and identify potential biomarkers for progression. We used targeted and untargeted aqueous, and lipidomic profiles of the metabolome from human cerebrospinal fluid to build multivariate predictive models distinguishing patients with Alzheimer’s disease (AD), Parkinson’s disease (PD), and healthy age-matched controls. We emphasize several statistical challenges associated with metabolomic studies where the number of measured metabolites far exceeds sample size. We found strong separation in the metabolome between PD and controls, as well as between PD and AD, with weaker separation between AD and controls. Consistent with existing literature, we found alanine, kynurenine, tryptophan, and serine to be associated with PD classification against controls, while alanine, creatine, and long chain ceramides were associated with AD classification against controls. We conducted a univariate pathway analysis of untargeted and targeted metabolite profiles and find that vitamin E and urea cycle metabolism pathways are associated with PD, while the aspartate/asparagine and c21-steroid hormone biosynthesis pathways are associated with AD. We also found that the amount of metabolite missingness varied by phenotype, highlighting the importance of examining missing data in future metabolomic studies.

Species distribution modeling (SDM) has come a long way since its inception. Starting as simple bioclimatic envelope models based on expert knowledge, species distribution models (SDMs) have evolved into complex and sophisticated models that incorporate multiple sources of data and machine learning algorithms. Today, SDMs play a crucial role in addressing pressing conservation and management issues, including the impacts of climate change on species ranges and the as-sessment of species vulnerability to extinction. In this article, we will embark on a journey through the history, present, and future of SDM, exploring its evolution from bioclimatic envelopes to machine learning. We will also provide practical tips on how to use SDMs effectively and discuss the exciting future developments in this field. Whether you are a seasoned SDM expert or new to this field, this article will provide valuable insights into the exciting world of SDM. By exploring the rich history and current state of the field, we hope to shed light on the tremendous potential of SDM for improving our understanding of the distribution of species in a changing world.

This article presents new PEM fuel cell models with hexagonal and pentagonal designs. After observing cell performance improvement in these models, we optimized them. Inlet pressure and temperature were used as input parameters, and consumption and output power were the target parameters of the multi-objective optimization algorithm. Then we used artificial intelligence techniques, including deep neural networks and polynomial regression, to model the data. Next, we employed the RSM (Response Surface Method) method to derive the target functions. Furthermore, we applied the NSGA-II multi-objective genetic algorithm to optimize the targets. Compared to the base model (Cubic), the optimized Pentagonal and Hexagonal models averagely increase the output current density by 21.819\% and 39.931\%, respectively.

Memristors were proposed in the early ’70s of the XXth century by Leon Chua as a new electrical element linking the charge and the flux. Since that first introduction, these devices have positioned themselves to be considered as possibly fundamental for the new generations of electronic devices. It has to be mentioned that actual memristors have only been recognized to exist as physical elements. In this paper, we apply a modeling framework to generate a model describing experimental measurements performed on a ReRAM. We show how to apply the Dynamic Route Map technique in the general case to obtain an approximation to the differential equation that determines the behaviour of the device.

A position sensing glove, called SmartScan, that creates a 3D virtual model of a real object is presented. The data from the glove is processed by a volume minimization algorithm to validate the position sensor data. This allows only data from the object’s surface to be retained. The data validation algorithm allows the user to progressively improve an image by repeatedly moving their hand over the object. In addition, the user can choose their own balance between feature resolution and invalid data rejection. The SmartScan glove is tested on a foot model and is shown to be robust against motion artifacts, and has a mean accuracy of 2.9 mm (compared to a 3D model generated from optical imaging) without calibration.

The emergence of novel pathogens is a well-known epidemiological risk, however, the unexpected emergence of a truly novel coronavirus-mediated pandemic, SARS-nCOV2 (COVID-19), underscored the significance of understanding this contagion. The COVID-19 pandemic caused unprecedented social, economic, and educational disruptions on a scale never seen before. In addition to social protocols, the development of safe, effective, affordable COVID-19 vaccines was developed within months, the cornerstone to mitigating this pandemic. We present an overview of the evolution of the SARS-nCOV2 pandemic from a historical perspective and describe its biology and behavior, especially the immunological aspects of the disease. We further provide an overview of COVID-19 therapeutics, treatment, and vaccine development. It is critical to understand the transmission mechanism of the disease to control and mitigate its progression. We describe cohort studies to identify secondary and tertiary syndromes. The transmission characteristics help its diagnosis and detection. During the pandemic, a lot of emphasis was placed on personal protection equipment. It is now concluded that the virus particles spread by aerosol dispersion. While the recommended distance may not be sufficient, the use of personal protective equipment and social distancing may be helpful in close-quarters environments. Such protocols in conjunction with safe and effective vaccines and personal hygiene are among the safe practices. While we learn from our experience, this review provides a holistic view of COVID-19, so we are better prepared for a future pandemic. In addition to a wide-spectrum automated analytics system, we also suggest that the use of artificial intelligence in conjunction with data analytics can further reduces the risk of speculatively diagnosing agents incorrectly, to eliminate future pandemic, where the novelty can be the cloud-based presumptive diagnosis.

The modeling of psychiatric disorders poses significant challenges due to the complex nature of these conditions, which encompass a range of neuropsychiatric diseases such as autism spectrum disorder (ASD), schizophrenia (SCZ), bipolar disorder (BD), post-traumatic stress disorder (PTSD), anxiety and depression. The rising global prevalence of mental disorders and the urgency for more effective treatments have propelled the development of innovative in vitro models. This review presents a thorough examination of two-dimensional (2D) versus three-dimensional (3D) induced pluripotent stem cell (iPSC) models of neuropsychiatric diseases, offering insights into their respective capacities to mimic neurodevelopment and cellular phenotypes observed in these conditions. Our comparative analysis reveals that while traditional 2D cultures have been instrumental in elucidating disease pathways and high-throughput drug screening, they fall short in replicating the intricate cellular architecture and environment of the human brain. On the other hand, 3D organoid models, including brain organoids, better recapitulate the spatial organization, cell-type diversity, and functional connectivity of brain tissue, offering a more physiologically relevant context for studying disease mechanisms and testing therapeutic interventions. We assess the progress in modeling ASD, Schizophrenia, Bipolar Disorder, PTSD, and depression, highlighting the advanced understanding of disease etiology and potential treatment avenues offered by 3D iPSC technologies. Challenges remain, including the scalability, reproducibility, and maturation of organoids, but the potential for personalized medicine and the elucidation of disease ontogeny is unparalleled. The review concludes with a perspective on the future directions of psychiatric disease modeling, emphasizing the integration of 3D iPSC models with high-throughput technologies and computational approaches to enhance our understanding and treatment of these debilitating conditions.

Plastic pollution of the ocean is currently one of the most serious environmental threat. Analysis of observations in the Arctic ocean shows that microplastic particles have been found in Arctic snow cover, sea ice, water and sediments. Possible pathways and deposition locations of microplastics in the Arctic Ocean can be assessed based on 3D numerical modeling of thermohaline structure and water circulation, sea ice conditions and drift. The problem is that in addition to transport by currents, a number of other processes affect the state of microplastics. These include mechanical fragmentation, freezing into sea ice and release back into the water, biofouling, adsorption of contaminants and other factors. In this study, based on scenario calculations for a 5-year period, we analyzed the possible spread of microplastics brought by Siberian rivers to the Kara Sea shelf. The Lagrangian particle model used daily 3D numerical simulation data to simulate microplastic transport by ocean currents and by sea ice drift. The results of a series of scenario calculations show how the distribution of particles and their subsequent deposition depend on their type (density), size, processes of freezing into the ice and biofouling.

Food systems will need to undergo considerable transformation. To be better prepared for and resilient to uncertainty and disturbances in the future, resource users and managers need to further develop knowledge about the food and farming system, with its dominating feedback structures and complexities, and to test robust and integrated system-based solutions. This paper investigates how participatory system dynamics modeling can be adapted to groups at the community level with low or no formal educational background. The paper also analyzes the refinement of workshop participants’ mental models as a consequence of a participatory system dynamics intervention. For this purpose, we ran two workshops with small-scale farmers in Zambia. Analysis of workshop data and post-workshop interviews shows that participatory system dynamics is well adaptable to support an audience-specific learning-by-doing approach. The use of pictures, objects and water glasses in combination with the basic aspects of causal loop diagramming makes for a well-balanced toolbox. Participants acquire understanding that is also relevant beyond systems thinking in that is offers a range of practical insights such as a critical evaluation of common food security strategies.

Filter Media (FM) sourced from recycled organic and mineral material offers a low cost and effective means of treating urban stormwater. Using recycled materials rather than from an increasingly scarce source of virgin materials (typically sandy loam soil) can ensure a sustainable long-term economy and environment. This paper presents results from the laboratory analysis and mathematical modeling to highlight the performance of recycled organic and mineral material in removing nutrients and metals from stormwater. Analysis included physical and chemical characterisation such as particle size distribution, saturated hydraulic conductivity (Ksat), bulk density, effective cation exchange capacity, and pollutant removal performance. Design mixes (DM), comprising a combination of organic and mineral materials, were characterised and used to develop/derive modelling design within the Model for Urban Stormwater Improvement Conceptualisation (MUSIC v6) [1]. Comparison is made to the Adoption Guidelines for Stormwater Biofiltration Systems - Summary Report [2] which were based on the Facility for Advancing Water Biofiltration (FAWB) guidelines to assist in the development of biofiltration systems, including the planning, design, construction and operation of those systems. An observed outcome from over two decades of biofiltration guideline development has been the exclusion of alternative biofilter materials due to claims of excessive leaching. Results from this study indicate that high nutrient and metal removal rates can be achieved over a range of hydraulic conductivities using design mixes of recycled organic and mineral materials that have a demonstrated equivalence to existing guideline specifications.

Today, satellite imagery has made a major contribution to the reconstruction and spatial prediction of sensitive or complex areas such as Pendjari and W Transboundary Reserves which constitute biodiversity reservoirs and habitats for wildlife conservation. Despite the protection to which they are subject, they remain dependent on climatic hazards that can influence their stability. This study has applied remote sensing techniques, combined with climate records from the last thirty years, to analyze the past dynamics of land use and climate changes, to predict the future states of the vegetation cover of the two national parks in Benin, as well as their periphery. The methodology used remote sensing and GIS techniques that allowed the supervised classification of Landsat images of 1985, 2000 and 2015. Climatic data were combined in R software to identify the break periods for climatic parameters. Finally, the predictive vegetation cover for the year 2030 was made by combining vegetation and climate in the "Land Change Modeler" extension. Ten land use and land cover classes were obtained. These are the agglomerations, mosaics of fields and fallows, water bodies, dense forests, gallery forests, clear forests and wooded savannahs, swamp forests and shrubby wooded savannahs, saxicolous savannahs and bare ground. The natural vegetation decreased from 90.85% in 1985 to 83.54% in 2000 then to 79.56% in 2015, a decline of 11.39% over a 30-year period. The analysis of the climatic curves revealed the presence of break, meaning drought frequency. The predictive modeling revealed that land use units projected to 2030 are consistent with past trends, but with the continued expansion of fields and fallows (2%) at the expense of vegetation cover. This study will motivate many others in the field.

This study aims to identify the knowledge structure and research trends of soccer psychology research during the last 33 years (1990–2022). Data were obtained from 1,863 papers from the Web of Science database. The data were collected through keyword text mining and data preprocessing to determine the keywords needed for analysis. Based on the keywords, latent Dirichlet allocation-based topic modeling analysis was performed to analyze the topic distribution of papers and explore research trends by topic area. The topic modeling process included four topic area and fifty topics. The “Coaching Essentials in Football” topic area had the highest frequency, but it was not statistically identified as a trend. However, coaching, including training, is expected to continue to be an important research topic, as it is a key requirement for success in the highly competitive elite football world. Interest in the research field of “Psychological Skills for Performance Development” has waned in recent years. This may be due to the predominance of other subject areas rather than a lack of interest. Various high-tech interventions and problem-solving attempts are being made in this field, providing opportunities for qualitative and quantitative expansion. “Motivation, cognition, and emotion” is a largely underrated subject area in soccer psychology. This could be because survey-based psychological evaluation attempts have decreased as the importance of rapid field application has been emphasized in recent soccer-related studies. However, measuring psychological factors contributes to the study of football psychology through a new methodology and theoretical background. Recognizing the important role of psychological factors in player performance and mental management, as well as presenting new research directions and approaches that can be directly applied to the field, will advance soccer psychology research.

The use of the voice of the customer as a main input to guide decision making towards customer centricity strategies has become a necessity for companies. This research proposes a structured method of textual processing using the KDD (Knowledge Discovery Databases) methodology applied to the tweets of users of Colombian public sector companies, through the analysis of temporal sentiments and topic modeling to identify the areas in which actions should be taken to improve the perception of service. To fulfill such purpose, tweets from January to June 2022 are processed, followed by a temporal analysis of the evolution of the sentiment based on 3 enriched dictionaries; after, the LDA (Linear Discriminant Analysis) algorithm is implemented to find the areas with ailment for the user, in addition to propose a method to homologate the CIER (Comisión de Integración Energética Regional) survey. Finally, metrics are detailed to follow up the perception of the service. It is concluded that for the Acueducto the topic with the highest number of complaints is related to "Water truck request", for Enel "Servide Outages" and for Vanti: " Case solution and request information". Also, the homologation of 3 of the 5 pillars on which the CIER survey is based is presented.

Purpose:To explore (theoretically) the key parameters and their influence on the time profiles of photosensitizer (riboflavin), free radicals, singlet oxygen, oxygen and the efficacy of corneal collagen crosslinking (CXL)in both type-I and oxygen-mediated type-II mechanisms, specially the role of oxygen and the initiator regeneration. Methodology:Coupled kinetic equations are derived and numerically solved under the quasi-steady state condition for the 2-pathway mechanisms of CXL. The key parameters explored include (bI, V, Q', K, K',Q,P) and their influence on the time profiles of photosensitizer (riboflavin, C), radicals (R), singlet oxygen(S), oxygen (X) and efficacy (E), parameters of (K,K',Q) define the relative strength of type-I and type-II process. The oxygen depletion profile, X(t), and the associated singlet oxygen, S(t), depend on the parameters of V, Q' and the initial value of oxygen. The coupling strength given by (bI) governs almost all profiles, where b is an effective absorption parameter and I is the UV light intensity.Results:Our numerical method for CXL dynamic profiles demonstrated the following important features: (i) Type-I and type-II coexit in CXL, in the presence of oxygen. However, there is no type-II when oxygen is depleted or in a condition without oxygen. (ii) Type-I with bimolecular termination, the radical R(t) is a function of [K'(bIgC)]^0.5, leading to the steady-state efficacy given by a scaling law of 1/(bI)^0.5, in contract to that of type-II which is almost independent to the light intensity. (iii) The depletion rate (2 to 5 minutes) of X(t) is much faster than that of C(t) (10 to 20 minutes), (iv) Thepure type-II profile, has a transition point from straight line to saturating curve and matches the depletion point of singlet oxygen S(t). (v) Improved CXL efficacy of type-I and type-II may be achieved by external supply of photoinitiator (riboflavin) and oxygen, respectively.

The process model is very essential for the model based control design. The model of the process can be identified using system identification algorithm. The system identification is done through the open loop and closed loop approaches. In this work, the lab scale conical tank setup configured as a non square MIMO system. The conical tank system is identified through the both appraoches, the effectiveness and need of the both approaces are discussed. Based on the open loop identified model the controller designed and the controller implemented in the real time the to record the process data. From this data the closed loop identification are conducted uisng N4SID algorithm. The controller seetings are obtained using the smith predcitor based IMC based PI controller for the obtained model. The proposed identification algorithm and controller tuning show the better reults over the conventional method. Moreover, this method is applicable for all the non square MIMO system.

Factorization reduces computational complexity and is therefore an important tool in statistical machine learning of high dimensional systems. Conventional molecular modeling, including molecular dynamics and Monte Carlo simulations of molecular systems, is a large research field based on approximate factorization of molecular interactions. Recently, the local distribution theory was proposed to factorize global joint distribution of a given molecular system into trainable local distributions. Belief propagation algorithms are a family of exact factorization algorithms for trees and are extended to approximate loopy belief propagation algorithms for graphs with loops. Despite the fact that factorization of probability distribution is their common foundation, computational research in molecular systems and machine learning studies utilizing belief propagation algorithms have been carried out independently with respective track of algorithm development. The connection and differences among these factorization algorithms are briefly presented in this perspective, with the hope to intrigue further development in factorization algorithms for physical modeling of complex molecular systems.

Net CO2 emissions and sequestration from European forests are the result of removal and growth of flora. To arrive at aggregated measurements of these processes at a country's level, local observations of increments and harvest rates are up-scaled to national forest areas. Each country releases these statistics through their individual National Forest Inventory using their particular definitions and methodologies. In addition, five international processes deal with the harmonization and comparability of such forest datasets in Europe, namely the IPCC, SOEF, FAOSTAT, HPFFRE, FRA (definitions follow in the article). In this study, we retrieved living biomass dynamics from each of these sources for 27 European Union member states. To demonstrate the reproducibility of our method, we release an open source python package that allows for automated data retrieval and analysis, as new data becomes available. The comparison of the published values shows discrepancies in the magnitude of forest biomass changes for several countries. In some cases, the direction of these changes also differ between sources. The scarcity of the data provided, along with the low spatial resolution, forbids the creation or calibration of a pan-European forest dynamics model, which could ultimately be used to simulate future scenarios and support policy decisions. To attain these goals, an improvement in forest data availability and harmonization is needed.

Umbu is a tropical fruit with high content of bioactive compounds. However, maturation causes significant losses on nutrient density reducing the nutritional value of this highly appreciated fruit. Thus, the objective of the present work was to encapsulate the Umbu fruit bioactive compounds using spray drying and identify the variables affecting the biomolecules preservation. A Box-Behnken experimental design with 3 factors was set varying inlet temperature, atomization flow rate, and maltodextrin concentration for process otimization. Then the powder physicochemical and chemical properties were characterized, and results were modeled using a polynomial equation. Results revealed that the droplet size and maltodextrin concentration had a significant influence on the conservation of the biomolecules. Drying kinetics favoring fast formation of a particle crust increases encapsulation efficiency. Bioactive compounds retention was achieved by increasing maltodextrin even at high temperatures, where a matrix is formed hindering chemical degradation. Process optimization was validated and revealed low inlet temperatures (122ºC), high atomization flow rate (5kg/h) and high maltodextrin concentration (20%) to be the most desirable conditions for bioactive compounds retention.

Spatial modeling in Geographic Information Systems (GIS) always involves choices. The existence of constraints, either of a financial nature or related to the specifics of the software itself, to the algorithms, the uncertainty and even the reliability of the data, the purposes and the applications of the studies, make this a kind of guiding compass for GIS analysts. Building on a previous exercise of data acquisition (check-ins) based on two Digital Social Networks (DSN — Facebook and Foursquare) and on the awareness of the use of Volunteered Geographic Information (VGI) generated by tourists sharing their topophilic ties through DSN, the present analysis aims to evaluate the contribution of modern techniques of spatial analysis applied to tourism in the “Alta and University of Coimbra” area. Concepts and procedural tasks related to density determination, cluster analysis and identification of patterns associated with regionalized variables have thus been implemented with the purpose of evaluating and comparing the results obtained through the application of two techniques of spatial analysis, Kernel Density Estimation (KDE) and Optimized Hot-Spot Analysis (OHSA) & Inverse Distance Weighting (IDW) Interpolation.

The accurate wellbore pressure control not only prevents from lost circulation/blowout and fracturing formation by managing density of drilling fluid, but also improves productivity by mitigating reservoir damage. The geothermal pressure calculated by constant parameters for geothermal well would bring big error easily, as the changes of physical, rheological and thermal properties of drilling fluids with temperature were neglected. This paper researches the wellbore pressure coupling by calculating the temperature distribution with existed model, fitting the rule of density of drilling fluid with temperature and establishing mathematical models to stimulate the wellbore pressures, which is expressed as the variation of Equivalent Circulating Density (ECD) under different conditions. With this method, temperature and ECDs in the wellbore of the first medium-deep geothermal well ZK212 Yangyi Geothermal Field in Tibet were determined, and the sensitivity analysis was simulated by assumed parameters, i.e. circulating time, flow rate, geothermal gradient, diameters of wellbore, rheological models and regimes, the results indicated the geothermal gradient and flow rate were the most influence parameters on the temperature and ECD distribution, and additives added in drilling fluid should be careful which would change the properties of drilling fluid and induce the temperature redistribution. To make sure the safe drilling, velocity of pipes tripping into the hole, depth and diameter of wellbore are considered to control the surge pressure.

Machine performance modeling and optimization have emerged as crucial steps for process enhancement and efficiency. This study explored machine learning to model and optimize the cassava grating chamber of cassava grater for the quality production of gari. This domain remains unexplored thus far. A total of 196 graters were studied. Key variables studied included tooth diameter (TD), tooth height (TH), inter-tooth spacing (ITS), drum speed (DS), clearance (C), and moisture content of cassava (MC). Geometric mean diameter (GMD) represented mash quality. Feature importance rankings emphasized TH (0.488784), C (0.243284), TD (0.112682), ITS (0.103547), DS (0.036261), and MC (0.015442) in determining particle size (GMD) of grated mash. Machine learning models efficiently interpreted these attributes, including gradient boost regressor, linear regression, neural network, and random forest. The gradient boost regressor was the best predictive model, achieving 95.34% accuracy, RMSE (0.3291), and MAE (0.2303). The study provides a GMD predictive equation and optimized parameters for specific gari size production, offering valuable insights for tailored machinery in the cassava grating activity.

In March 2020, the World Health Organization declared coronavirus disease 2019 (COVID-19), caused by the novel severe acute respiratory syndrome coronavirus 2, to be a pandemic. Since the declaration, Nigeria economy has been greatly impacted thus resulting in a recession. This paper considers a couple of misconceptions among Nigerian people in the COVID-19 pandemic era thereby causing the spread of the novel virus and hence making the situation difficult for the government to handle. In particular, we discuss the first and second waves of the pandemic as it affects the Nigerian people. The impact of the pandemic on animals and the role of mathematical epidemiologists in combatting the spread is discussed herein. We give some recommendations that could be adopted by the government and the good people of Nigeria to reduce the further spread of the virus.

Introduction: Patients’ satisfaction was extensively researched over the last decades, given its role in building loyalty, compliance to treatment, prevention, and eventually higher levels of wellbeing and improved health status. Patients’ feedback on the perceived quality of health services can be incorporated into practice; therefore, understanding factors and mechanisms responsible for patients’ satisfaction allows providers to tailor targeted interventions. Method: A questionnaire assessing patients’ perception of the quality of health services was administered to a country-representative sample of 1500 Romanian patients. Using a partial least squares—path modeling approach (PLS-PM), with cross-sectional data, we developed a variance-based structural model, emphasizing the mediating role of trust and satisfaction with various categories of health services. Results: We confirmed the mediating role of trust in shaping the relationship between the procedural accuracy of health professionals, along with the perceived intensity of their interaction with patients, and patients’ experienced quality of the health services. We confirmed the mediating role of satisfaction by the categories of services in the relationship between waiting time on the premises, attention received, and the perceived reliability of the information received, as predictors, and the experienced quality of the health services. In addition, indirect assessment of patients’ satisfaction is a good predictor for direct assessment, thereby affirming the idea that the results of the two types of evaluations converge. Discussions: One of the most efficient solutions to increase both patients’ satisfaction and their compliance is to empower the communication dimension between patients and health practitioners. Given the non-linear relationships among variables, we advocate that, unless the nature of the relationships between satisfaction and its predictors is understood, practical interventions could fail. The most relevant variable for intervention is the degree of attention patients perceive they received. We suggest three methods to turn waiting time into attention given to patients.

The production of municipal solid waste incineration bottom ash (MSWIBA) is very massive and has the potential to replace cement despite the problems of complex composition, uneven particle size distribution, and low reactivity. This paper adopts sodium silicate activation of MSWIBA-slag to improve the reactivity to prepare composite cementitious materials. It explores the hydration performance study of the composite cementitious materials by isothermal calorimetric analysis, Fourier Transform Infrared (FTIR) spectroscopy, XRD physical diffraction analysis, and SEM/EDS tests. SEM/EDS tests will be used to explore the hydration properties of the composite gelling. The results showed that with the increase of MSWIBA doping, the porosity between the materials increased, the degree of Hydration decreased, and the compressive strength decreased with the rise of MSWIBA. When sodium silicate increased from 25% to 35%, too much alkaline material occurred over the alkaline effect, which inhibited the Hydration of the particles, and the degree of hydration reaction decreased, and the compressive strength decreased accordingly; the exothermic process of Hydration can be mainly divided into five stages, quartz and calcite did not participate in the hydration reaction completely, and sexual aluminum participated in the hydration reaction. The vibrational peaks of Si-O-Ti (T = Si and Al) were present in the material. The vibrational peaks of XRD, FTIR, and SEM-EDS all indicate the presence of silica-aluminate network structures in the hydration products, mainly N-A-S-H and C-A-S-H gels.

Manufacturing is a significant sector of the economy in many nations and is frequently regarded as an engine of economic expansion, particularly in developing nations. Despite its importance, the metal sector is seen as unsafe due to frequent and high accident rates as well as worker health issues. Therefore, the primary goal of this research is to create a safety model with the goal of development in occupational safety and health in order to reduce workplace injuries, diseases, and deaths in the Akaki Basic Metal Industry. The hypothesized model was developed and tested on a sample 215 respondents who worked for production businesses. The Statistical Package for the Social Sciences (SPSS) version 23.0 was used to enter and analyze the acquired data, and the Analysis Moment of Structure (AMOS) version 21 software was used to build the model. Through the use of structural equation modeling (SEM) and confirmatory factor analysis (CFA), research models were examined and confirmed. A good-fit structural model (PCLOSE=0.001, Goodness of Fit Index=0.971, Root Mean Square Error of Approximation=0.121, Comparative Fit Index=0.986 and TLI =0.906) indicated that Safety culture, safety police and safety climate constructs direct influence on firm productivity. The new structural model can be used to provide better understanding of the links between firm productivity indicators and contributing components, and make stronger recommendations for effective intervention in construction projects

Leucyl-aminopeptidase (LAP), an important metallopeptidase, hydrolyses amino acid residues from the N-terminal of polypeptides and proteins, acting preferentially on the peptide bond formed by N- terminus leucine. A new leucyl-aminopeptidase was found in Bacillus cereus CZ. Its gene (bclap) contained a 1485 bp ORF encoding 494 amino acids with a molecular weight of 54 kDa. The bcLAP protein was successfully expressed in E. coli BL21(DE3). Optimal activity is obtained at pH 9.0 and 58°C. The bcLAP displays a moderate thermostability and an alkaline pH adaptation range. Enzymatic activity is dramatically enhanced by Ni2+. EDTA significantly inhibits the enzymatic activity, and bestatin and SDS also show strong inhibition. The three-dimensional model of bcLAP monomer and homohexamer is simulated by Phyre2 server and SWISS-MODEL server. The docking of bestatin, Leu-Trp, Asp-Trp and Ala-Ala-Gly to bcLAP is performed using AutoDock4.2.5 , respectively. Molecular docking results show that the residues Lys260, Asp265, Lys272, Asp283, Asp342, Glu344, Arg346, Gly372, His437 are involved in the hydrogen bonding with the ligands and zinc ions. There may be two nucleophilic catalytic mechanisms in bcLAP, one involving His 437 or Arg346 and the other involving His437 and Arg346. The bcLAP can hydrolyse the peptide bonds in Leu-Trp, Leu-Trp and Ala-Ala-Gly.

Coincident changes in abundance and behavior pose a challenge for interpreting abundance data from monitoring programs. In the San Francisco Estuary, long-term monitoring documented the declines of many species including the anadromous Longfin Smelt (Spirinchus thaleichthys). We identified seasonal patterns in reginal presence of Longfin Smelt through its life cycle using monitoring data and generalized additive modelling. We then investigated the year-to-year variability in the seasonal patterns of presence using functional data analysis (FDA). FDA separated the variability due to population size from variability due to differences in timing of presence. We found that Longfin Smelt have consistent seasonal distribution patterns and that two trawl types were needed to accurately describe those patterns. After accounting for variability due to year-class strength, shifts in the timing of presence were evident in three regions. The most variable period for the upstream regions Suisun Bay and West Delta was for age-0 fish in summer and for the downstream region Central Bay was for age-0 fish in late fall. This manifested as a delay in the typical fall re-occupation of upstream regions that comprise the study area for another monitoring study (Fall Midwater Trawl). Thus, a portion of the recent reductions in Fall Midwater Trawl abundance of Longfin Smelt resulted from changes in behavior rather than a decline in abundance. The presence of multiple monitoring surveys allowed analysis of distribution from one data set to aid interpretation of patterns in abundance from another monitoring survey. This study highlights how identifying portions of the life cycle with the most and least variability in distribution can help inform the types of management strategies that will be most effective. It also illustrates an analytical method that can be used to address the problem of confounded effects of abundance and behavior on patterns in monitoring data.

The hydrocarbon generation potential of Chia Gara strata and their genetic link with produced oils from the Zagros basin are still not comprehensively investigated. Forty-seven rock samples from the Tithonian–Berriasian interval were subjected to geochemical analyses to infer organic matter enrichment, hydrocarbon potential, thermal maturity, and timing for hydrocarbon generation/expulsion and their implications regarding upcoming petroleum explorations in the Zagros basin. The results showed that the Chia Gara rock samples have fair to very-good generation potential, as confirmed by higher total organic carbon (TOC=0.68–3.95 wt%) and Rock-Eval (S1+S2=3.37–8.52 mg HC/g rock). The hydrogen index (HI=171–462) and Rock-Eval Tmax over 430 °C support the presence of Types II and mixed Types II/III kerogen. These results confirm the high generation potential of the Chia Gara Formation in the study region. 1D basin models of the KK–109 well show that over 55% of kerogens were converted into oil in the Cretaceous (77–67 Ma). Expulsion started from the Miocene until now (22–0 Ma), consistent with 0.71–0.80 of modeled Easy%Ro and 55–80 %TR. Consequently, this project confirms the potential oil expulsion from the Chia Gara Formation, which can be a resource for upcoming hydrocarbon investigation in the Zagros basin, Iraq.

Active flow control is a promising technology for reducing noise, emissions, and power consumption in various applications. To better understand the performance of synthetic jet actuators, a computational model that couples structural mechanics with electrostatics, pressure acoustics, and fluid dynamics has been needed. The model presented here has been validated against experimental data and then used to investigate the fluid behavior inside and outside the synthetic jet actuator cavity, impacts of thermoviscous losses on capturing the acoustic response of the actuator, and viability of different modeling methods of diaphragms in computational simulations. The results capture the feedback from the fluid onto the diaphragm and highlight the need for careful acoustic modeling.

The implementation of Boolean functions using Nano crossbar- based switching lattices has been suggested as a substitute for conventional CMOS-based approaches in digital circuits . This alternative may satisfy the needs of future electronic designs, con- sidering the expected end of Moore’s law. This study introduces CVM, a Crossbar-based circuit Verification through Modeling tech- nique

Introduction. Musculoskeletal disorders related to work might follow with a cumulative effect during working life. We aimed to develop a new model to allow to compare the accuracy of duration of work and intensity/frequency associations in application to severe knee pain. Methods. The CONSTANCES cohort is used with data from n=66553 subjects who were working at inclusion and coded. From a biomechanical job exposure matrix “JEM Constances”, intensity/frequency of heavy lifting and kneeling/squatting were used and applied to the work history in comparison to severe knee pain. An innovative model was developed and evaluated, allowing to compare the accuracy of duration of work and intensity/frequency associations. Results. The mean age is 49 years at inception with 46 percent of women. The G model developed was slightly better than regular models. In men, odds ratios of the highest quartile for the duration and low intensity were not significant for both exposures, whereas intensity/duration were for every duration. Results in women were less interpretable. Conclusion. Though increased duration increased strength of association with severe knee pain, intensity/frequency were important predictors among men. Exposure estimation along working history should have emphasis on such parameters, though other outcomes should be studied such as women.

The article presents the Base Point Split (BPSplit) algorithm for generating a polygon skeleton based on sets of vector data describing lakes and rivers. A key feature of the BPSplit algorithm is that it is dependent on base points representing the source or mouth of a river or a stream. The input values of base points determine the shape of the resulting skeleton. Various skeletons can be generated with the use of different base points. Base points are applied to divide polygon boundaries into segments. Segmentation supports the selection of TIN edges inside polygons. The midpoints of selected TIN edges constitute a basis for generating a skeleton. The algorithm handles polygons with numerous holes, and it accounts for all holes. This article proposes a method for modifying a complex skeleton with numerous holes. In the discussed approach, skeleton edges that do not meet the preset criteria (e.g. that the skeleton is to be located between holes in the center of the polygon), are automatically removed. A simple algorithm for smoothing zigzag lines was proposed.

Imagination is more important than knowledge, but if intellect does not provide the needed logical structures, capacities for envisioning new possibilities are overly constrained. The sustainability problems we face today cannot be solved with the same kind of thinking that created them, but clarity on what counts as a new kind of thinking is sorely lacking. This article proposes methodical, model-based ways of heeding Bateson's warning about the negative consequences for the ecology of mind that follow from ignoring the contexts of relationships. Informed by S. L. Star's sense of boundary objects, a sequence of increasingly complex logical types distinguishes and interconnects qualitatively different kinds of thinking in ways that liberate imaginative new possibilities for life. The economy of thought instantiated at each level of complexity is only as meaningful, useful, beautiful, ethical, and efficient as the standards informing local adaptive improvisations. Standards mediating the general and specific, global and local, universally transcendent and embodied particulars enable meaningful negotiations, agreements, and communications. Attending to the differences between levels of discourse sets up new possibilities for creative and imaginative entrepreneurial approaches to viable, feasible, and desirable goals for measuring and managing sustainable development.

The sun bear is conservation mammal in Indonesia. The ecological problems as conflict among mammals and human often happen around wildlife, the one of the case is the conflict between sun bear (helarctos malayanus) with human. In Pasaman where around the anthropogenic landscape is bounded by natural forest as sun bear habitat. In this decade, the story has recorded about ±16 incidents. The aim of this research is to geospatial modeling the area of potential conflict between sun bear- human. The method in this research is to use natural logarithmic and regression logistic. The tool is geographical information system and maximum entropy. The result of this research, there has found the distribute energy each variable landscape ecosystem. The statistical model of the potential conflict it has spread on landscape ecosystem. The average value of AUC prediction in this model is at number of 0.91. The variable contribution which affect are forest edge at number of 39.2%, the alternative food (plantation) at number of 31.4%, and forest fragmentation at number of 16.9%.

The paper presents the author’ original modification of the residual method in order to construct an efficient tool for assessing the condition of photovoltaic cells, in particular – panels made of amorphous cells which are characterized by significant random operation parameter changes. The solution constructed has been verified through experiments, which show the usefulness of the proposed methodology as it allows to minimize the risk of obtaining false diagnostic information in the process of assessing the condition of photovoltaic panels.

Currently, narrowband Power line communication (PLC) is considered as an attractive communication system in smart grid environments for applications such as advanced metering infrastructure (AMI). In this paper, we will present a comprehensive comparison and analysis in time and frequency domain of noise measured in China and Italy. In addition, impulsive noise in these two countries are mainly analyzed and modeled using two probability based models, Middleton Class A (MCA) model and \(\alpha\) stable distribution model. The results prove that noise measured in China is rich in impulsive noise, and can be modeled well by \(\alpha\) stable distribution model, while noise measured in Italy has less impulsive noise, and can be better modeled by MCA model.

A milk drink flavored with dates syrup produced at a lab scale level was evaluated. The production process of date syrup involves a sequence of essential unit operations, commencing with the extraction, filtration, and concentration processes from two cultivars: Sukkary and Khlass. Date syrup was then mixed with cow’s and camel’s milk at four percentages to form a nutritious, natural, sweet, and energy milk drink. Sensory, physical, and chemical characteristics of the milk drinks flavored with date syrup were examined. The objective of this work was to measure physiochemical properties of dates fruits and milk drinks flavored with dates syrup, then to evaluate the physical properties of milk drinks utilizing a non-destructive NIR spectra. The study assessed the characteristics of the milk drink enhanced with date syrup by employing near-infrared spectra (NIR) spectra and analyzed utilizing partial least-square regression (PLSR) and artificial neural network (ANN) analysis. The NIR spectrum proved to be highly effective in estimating the physiochemical attributes of the flavored milk drink. The ANN model outperformed the PLSR model in this context. RMSECV is considered a more reliable indicator of a model's future predictive performance compared to RMSEC, R2 ranged between 0.946 and 0.989. Consequently, non-destructive NIR technology demonstrates significant promise for accurately predicting and contributing to the entire production process of the product's properties examined.

Project complexity is usually considered as one of main causes of cost overruns, resulting in poor performance and thus project failure. However, empirical studies focused on evaluating its effects on project cost remain lacking. Given this circumstance, this study attempts to develop the relationships between project cost and the multidimensional project complexity elements. We establish complexity as a multidimensional factor including the task, organization, market, legal, and environment complexities. This study uses an empirical evidence-based structural model to account for the relationships between project cost and project complexity. By doing so, a quantitative assessment of multi-dimensional project complexity has been developed. The findings suggest that task and organization complexities have direct effects on project cost, while market, legal and external environment complexities have indirect effects on project cost. The practical contribution is that the findings can improve the understanding of which dimension of complexity significantly influence project cost, and the need to focus efforts on strategically addressing that complexities.

Lactic acid production from lactose by Lactiplantibacillus plantarum AC 11S was studied. The influence of initial substrate concentration was investigated, and optimal pH and temperature were determined. An unstructured mathematical model was developed comprising equations for bacterial growth, substrate consumption, and product formation. The model was solved with different terms for specific growth rates considering substrate and/or product inhibition. The best bacterial growth and lactic acid production were achieved at pH = 6.5 and 30 oC. Production of lactic acid was mainly growth-associated and at substrate concentration over 15 g/L a considerable product inhibition was observed. The parameters of different models were determined and compared. While the modified Gompertz equation gave the best fit for biomass growth, a variant of the logistic equation including a term for product inhibition described in the best way the entire set of equations comprising bacterial growth, substrate consumption, and product formation at different initial substrate concentrations.

With advances in Building Information Modeling (BIM), Virtual Reality (VR) and Augmented Reality (AR) technologies have many potential applications in the Architecture, Engineering, and Construction (AEC) industry. However, the AEC industry, relative to other industries, has been slow in adopting AR/VR technologies, partly due to lack of feasibility studies examining the actual cost of implementation versus an increase in profit. The main objectives of this paper are to understand the industry trends in adopting AR/VR technologies and identifying gaps within the industry. The identified gaps can lead to opportunities for developing new tools and finding new use cases. To achieve these goals, two rounds of a survey at two different time periods (a year apart) were conducted. Responses from 158 industry experts and researchers were analyzed to assess the current state, growth, and saving opportunities for AR/VR technologies for the AEC industry. The findings demonstrate that older generations are significantly more confident about the future of AR/VR technologies and they see more benefits in AR/VR utilization. Furthermore, the research results indicate that Residential and commercial sectors have adopted these tools the most, compared to other sectors and institutional and transportation sectors had the highest growth from 2017 to 2018. Industry experts anticipated a solid growth in the use of AR/VR technologies in 5 to 10 years, with the highest expectations towards healthcare. Ultimately, the findings show a significant increase in AR/VR utilization in the AEC industry from 2017 to 2018.

Inhibitory activity of 14 phosphonic analogues of phenylglycine, substituted in aromatic ring by fluorine and chlorine, was determined towards porcine aminopeptidase N. The obtained data served as a basis for studying their interaction with the enzyme as modelled by the use of Schrödinger Release 2018 program. The observed linearity between modelled Gibbs free energy differences and inhibitory constants indicated the usefulness of this program. The obtained binding mode was compared with this modelled for bovine lens leucine aminopeptidase. Although both enzymes differ in the number of zinc ions present in the active site, they are considered to exhibit similar activity towards substrates and inhibitors. Our studies seem to support that supposition since the modes of binding of the studied inhibitors are quite similar. Additionally, inhibitory activity of the phosphonic analogues of phenylglycine towards barley aminopetpidase was determined showing that this enzyme could be considered as neutral aminopeptidase.

Although buildings constitute 35% of global energy use and 38% of carbon emissions from energy, the amount of energy and energy-related carbon emissions are increasing rapidly. On the other hand, non-renewable usable energy resources are decreasing on the contrary. New buildings are being built due to the increasing population and the existing building stock not meeting the needs or losing its lifespan. Some of the existing building stock is demolished and renewed for structural reasons and some for reasons such as usage performance. It is possible to reduce both energy consumption and greenhouse gas emissions with strategic energy uses in existing building stocks. There are various techniques to measure the maximum performance of sustainable and energy-efficient use of existing building stocks with which changes. Building Information Modeling (BIM) technology is one of these techniques that provides wide opportunities to users in recent years, and it is almost a virtual laboratory of structures. Building stocks can be modeled with BIM, and alternative shell and system suggestions can be used to measure how building performance has changed and to achieve the best results. In this research study, improvement scenarios that optimize energy use in existing building stocks are investigated on a sample residential building by using the virtual laboratory facilities of BIM. After measuring the current energy performance of the existing building with BIM tools, 192 alternative results were obtained with 6 variables (external walls, roof, insulation layers, transparent surface materials, lighting, and photovoltaic panels). The obtained alternatives were compared with the current state of the existing building. The material expenditures and amortization periods required for these alternative scenarios are also calculated. The results obtained were evaluated according to annual / lifetime energy consumption, fuel, electricity, initial investment costs, energy use intensity, and carbon emission amounts. With the optimization of the current situation of the sample building, annual fuel consumption decreased by 61% and electricity consumption by 64%. The amortization period of the optimum improvement was determined as 12 years.

Ammonia (NH3), the most prevalent alkaline gas in the atmosphere, plays a significant role in PM2.5 formation, atmospheric chemistry, and new particle formation. This paper reviews quantification of [NH3] through measurements, satellite-remote-sensing, and modeling reported in over 500 publications towards synthesizing current knowledge of [NH3], focusing on spatiotemporal variations, controlling processes, and quantification issues. Most measurements are through regional passive sampler networks. [NH3] hotspots are typically over agricultural regions like the Midwest US and North China Plain, with elevated concentrations reaching monthly averages of 20 and 74 ppbv, respectively. Topographical effects dramatically increase [NH3] over the Indo-Gangetic Plains, North India and San Joaquin Valley, US. Measurements are sparse over oceans, where [NH3] ≈ few tens of ppbv, variations of which can affect aerosol formation. Satellite-remote-sensing (AIRS, CrIS, IASI, TANSO-FTS, TES) provides global [NH3] quantification in the column and at surface since 2002. Modeling is crucial for improving understanding of NH3 chemistry and transport, its spatiotemporal variations, source apportionment, exploring physicochemical mechanisms, and predicting future scenarios. GEOS-Chem (global) and FRAME (UK) models are commonly applied for this. A synergistic approach of measurements↔satellite-inference↔modeling is needed towards improved understanding of atmospheric ammonia, of concern from the standpoint of human health and the ecosystem.

The development of mineral deposits causes changes that are comparable to natural exogenous geological processes, and in local areas of intensive mining activity prevail over them. In this article, a diamond deposit is selected, developed by quarries of great depth, and a forecast is made of the impact of drainage water discharge on changes in the composition of surface water and bottom sediments during the entire period of development of the deposit. Modeling was per-formed according to various scenarios, taking into account changes in the total dissolved solids of groundwater from 0.5 to 21.7 g/kg H2O. Thermodynamic calculations were carried out using the HCh software package. The role of dissolved organic carbon in the migration of chemical elements and the effect of DOC on the precipitation of chemical elements from mixing solutions is given. It has been established that fulvic acid completely binds to Fe in the Fe(OH)2FA– complex in all types of natural waters and under all mixing scenarios. With humic acid, such a sharp competitive complex formation does not occur. It is distributed among the various elements more evenly. It was determined that the mass of precipitating iron in the presence of DOC decreases by 18-27%, and its precipitation in winter is more intense. In contrast to Fe, precipitation of Ca, Mg, and C from solution with DOC is higher in summer, and there are more of them in solution in winter. This study contributed to a better understanding of the behavior of heavy metals in surface waters and sediments under anthropogenic pressures in order to improve the sustainable management of water resources in the face of anthropogenic activities.

This paper relies on accounting-based measures of country risk to investigate U.S. global banks' exposure to foreign country risk over the 2017 fiscal year as measured by the sum of cross-border risk, foreign office risk, and derivative risk claims. We achieve this using panel linear modeling methods with country level heterogeneity and time fixed effects, along with a constructed panel data of 284 observations on 71 countries distributed across 6 world regional blocks, and observed over 4 consecutive quarters starting from 4th quarter 2016 and ending with 3rd quarter 2017. The results show that on average, over the four quarters, a 1% increase in foreign banking sector's claims significantly increases U.S. global banks cross border risk exposure by 0.34%, while reducing derivative risk exposure by 0.22%, but have no significant impact on foreign office risk exposure. Similar results are observed with public sector claims which significantly increase banks' exposure to cross border risk by 0.21%, while reducing derivative risk exposure by 0.19%. Conversely however, non-bank financial sector claims are found to have no significant affect on cross-border risk exposure, but significantly reduce foreign office risk exposure by 0.09%, while increasing derivative risk exposure by 0.06%. These results indicate the presence of sectoral heterogeneities in U.S. banks' exposure to foreign counterparties' risk, and also that overall, over the course of 2017 the level of U.S. global banks' cross-border risk exposure increased, while their level of derivative risk exposure decreased, and the level of foreign office risk exposure remained relatively unchanged.

The present paper provides a new definition for dual spline curves in a geometric intuitive way based on adaptive curve refinement techniques. The dual spline is an implementation of the interpolatory subdivision scheme for curve modeling, which is comprised of polynomial segments of different degrees. Specially, the dual spline curves are mainly aims to solve the difficult geometry defeaturing problems in the existing computer-aided technology. Dual spline curves maintain various desirable properties of conventional curve modeling methods, such as local adaptive subdivision, high interpolation accuracy and convergence, continuous and discontinuous boundary approximation. By adding fictitious and intrinsic nodes inside or at the vertices of interpolation elements, the dual spline is flexible and convenient for approximating a set of ordered points or discrete segments. Combined with the Lagrange interpolation polynomial and meshless method, the proposed approach is capable of approximating the non-smooth boundary for geometry defeaturing. Experimental results are given to verify the validity, robustness, and accuracy of the proposed method.

Background: The antimalarial drug chloroquine and antimicrobial drug azithromycin have received significant attention during the current COVID-19 pandemic. Both drugs can alter cardiac electrophysiology and have been associated with drug-induced arrhythmias. Meanwhile, sympathetic activation is commonly observed during systemic inflammation and oxidative stress (e.g., in SARS-CoV-2 infection), and may influence the electrophysiological effects of chloroquine and azithromycin. Here, we investigated the effect of beta-adrenergic stimulation on proarrhythmic properties of chloroquine and azithromycin using a detailed in silico model of ventricular electrophysiology. Methods: Concentration-dependent chloroquine and azithromycin-induced alterations in ion-channel function were incorporated into the Heijman canine ventricular cardiomyocyte model. Single and combined drug effects on action-potential (AP) properties were analyzed using a population of 592 models accommodating inter-individual variability. Sympathetic stimulation was simulated by an increase in pacing rate and experimentally validated isoproterenol-induced changes in ion-channel function. Results: At 1 Hz pacing, therapeutic doses of chloroquine and azithromycin (5 and 20 µM, respectively) individually prolonged AP duration (APD) by 33% and 13%. Their combination produced synergistic APD prolongation (+161%) with incidence of proarrhythmic early afterdepolarizations in 53.5% of models. Increasing the pacing frequency to 2 Hz shortened APD and together with 1 µM isoproterenol corrected the drug-induced APD prolongation. No afterdepolarizations occurred following increased rate and simulated application of 0.1-1 µM isoproterenol. Conclusion: Sympathetic stimulation limits chloroquine- and azithromycin-induced proarrhythmia by reducing their APD-prolonging effect, suggesting the importance of heart rate and autonomic status monitoring in particular conditions (e.g., COVID-19).

This paper considers a new approach to the modeling of the vacuum infusion process at the manufacturing three-dimensional composite parts of complex shape. The developed approach and numerical methods are focused on the reliable prediction with the needed accuracy and elimination the unrecoverable defect of composite structure such as the dry spots. The paper presents some experimental results, which demonstrate two cases of dry spots formation in large aircraft composite panels, and analyses the reasons of these defects arising. Our numerical technique is based on the vacuum infusion of the liquid resin into porous preform as the two phase flow, which is described by the phase field equation coupled with the Richards equation describing the fluid motion in unsaturated soils with spatially varied pressure dependant porosity and saturation. This problem statement allowed to correctly reconstruct the resin front motion and formation of inner and outer dry spots depending on its movement. For the rapid detection of preform zones that are suspicious for defect formation two indicators calculated during process simulation are proposed and tested at the numerical experiments. The auxiliary program tool has been developed in MATLAB environment to correctly detect the times of formation, localization and dimensions of the arising dry spots by using the results of the finite element model simulation.

The increasing spatial and spectral resolution of hyperspectral imagers yields detailed spectroscopy measurements from both space-based and airborne platforms. Machine learning algorithms have achieved state-of-the-art material classification performance on benchmark hyperspectral data sets; however, these techniques often do not consider varying atmospheric conditions experienced in a real-world detection scenario. To reduce the impact of atmospheric effects in the at-sensor signal, atmospheric compensation must be performed. Radiative Transfer (RT) modeling can generate high-fidelity atmospheric estimates at detailed spectral resolutions, but is often too time-consuming for real-time detection scenarios. This research utilizes machine learning methods to perform dimension reduction on the transmittance, upwelling radiance, and downwelling radiance (TUD) data to create high accuracy atmospheric estimates with lower computational cost than RT modeling. The utility of this approach is investigated using the instrument line shape for the Mako long-wave infrared hyperspectral sensor. This study employs physics-based metrics and loss functions to identify promising dimension reduction techniques. As a result, TUD vectors can be produced in real-time allowing for atmospheric compensation across diverse remote sensing scenarios.

In this article authors shows chosen problems of technical state diagnosis with the use of identification and technical diagnostics methods such as experimental modal analysis. Relations between methods of dynamic state evaluation and methods of technical state evaluation were indicated. Example modal analysis results illustrate the complexity of projecting dynamic state researches into diagnostic researches of state evaluation.

With the advent of digitization, the integration of advanced technologies in operations and projects across all sectors is in progress. Accordingly, efforts are being made to utilize cutting-edge technologies to improve the circularity of the built environment. This study aimed to review the existing applications and limitations of building information modeling (BIM) tools for circular economy (CE) implementation from this perspective. A literature review was conducted to provide an overview of the use of BIM tools for conducting life cycle assessments, energy analysis, waste management, and formulation of material passports for buildings. It was found that BIM tools, which are available across all life cycle phases of building, have a great potential to improve the circularity of the sector. The overview provided on the use of various BIM tools may help stakeholders of the built environment understand the role of BIM for CE adoption in the sector.

The removal of metal ions by biosorption on inexpensive materials is still a challenge for environmental engineering research. In this study, marine green algae biomass (Ulva lactuca sp.) and the biochars obtained from this biomass, at 320 C (BC-320) and 550 C (BC-550), were used as biosorbents for the removal of Cu(II) ions from aqueous solution. In addition to comparing the biosorption capacities, the determination of the thermodynamic parameters allows the choice of the most suitable material for the biosorption processes. The experimental results, obtained for Cu(II) ions biosorption on each biosorbent (algae biomass (AB), BC-320 and BC-550), at three different temperatures (10, 30 and 50 C) were analyzed using Langmuir and Freundlich isotherm models, while pseudo-first order, pseudo-second order and intra-particle diffusions models were used to model the kinetic data. The biosorption of Cu(II) ions is best described by the Langmuir model and the pseudo-second kinetic model, regardless of the type of biosorbent. The maximum biosorption capacity (qmax, mg/g) depends on the temperature, but also on the type of biosorbent, and follow the order: BC-320 < AB < BC-550. Using the experimental isotherms, the thermodynamic parameters (G0, H0 and S0) for the biosorption of Cu(II) ions on each biosorbent were calculated. The analysis of the obtained values constitutes the main arguments in choosing BC-550 as the most effective biosorbent for the removal of Cu(II) ions from aqueous media.

In this contribution, a method based on a solid solution theory of clathrate hydrate for multiple cage occupancy, host lattice relaxation and guest-guest interactions has been presented to estimate hydrate formation conditions of binary and ternary gas mixtures. We have performed molecular modeling of structure, guest distribution, and hydrate formation conditions for the CO₂ + CH₄, and CO₂ + CH₄ + N₂ gas hydrates. In all considered systems with and without N₂, at high and medium content of CO₂ in the gas phase we have found that CO₂ is more favorable to occupy clathrate hydrate cavities than CH₄ or N₂. Addition of N₂ to the gas phase increases ratio concentration CO₂ in compressing with concentration CH₄ in clathrate hydrates and makes gas replacement more effective. The mole fractions of CO₂ in CO₂ + CH₄ + N₂ gas hydrate rapidly increases with the growth of its content in the gas phase. And the formation pressure of CO₂ + CH₄ + N₂ gas hydrate rises in comparison with the formation pressure of CO₂ + CH₄ gas hydrate. Obtained results agree with the known experimental data for simple CH₄, CO₂ gas hydrates and mixed CO₂ + CH₄ gas hydrate.

Causal molecular interactions represent key building blocks used in computational modeling, where they facilitate the assembly of regulatory networks. These regulatory networks can then be used to predict biological and cellular behavior by system perturbations and in silico simulations. Today, broad sets of these interactions are being made available in a variety of biological knowledge resources. Moreover, different visions, based on distinct biological interests, have led to the development of multiple ways to describe and annotate causal molecular interactions. Therefore, data users can find it challenging to efficiently explore resources of causal interaction and to be aware of recorded contextual information that ensures valid use of the data. This manuscript presents a review of public resources collecting causal interactions and the different views they convey, together with a thorough description of the export formats established to store and retrieve these interactions. Our goal is to raise awareness amongst the targeted audience, i.e., logical modelers, but also any scientist interested in molecular causal interactions, about existing data resources and how to get familiar with them.

The planned closure of potash mines, achieved through the injection of highly mineralized brines into the worked-out area, is a complex and not fully studied process. A critical concern arises when brines obstruct the aerodynamic connections between the flooded mine's airspace and the atmosphere, potentially leading to the formation of closed cavities where explosive gases can accumulate. To address this hazard, it is imperative to develop systems capable of extracting the gas-air mixture from the unflooded domed portions of the worked-out area. This is the focus of this study, in which we analyze gas-dynamic processes within the potassium mine worked-out area during planned flooding. Two distinct scenarios are examined: the first involves controlled flooding with saturated brines, while the second contemplates flooding resulting from a hypothetical breakthrough of supra-salt strata, leading to the ingress of groundwater into the worked-out area. A novel mathematical model is introduced to predict the evolution of gas-air mixture parameters in the unflooded dome segment of the worked-out area. Utilizing this model, we assess the effectiveness of proposed measures designed to eliminate explosive gases from the worked-out area. Specifically, a pipeline system is proposed for the removal of gases, followed by their dilution below the maximum permissible concentrations in the effluent jet. The findings from this study contribute valuable insights into ensuring the safe and efficient closure of potash mines, shedding light on potential risks and effective mitigation strategies for gas-related hazards during planned flooding.

To develop peptide drugs targeting integrin receptors, synthetic peptide ligands endowed with well-defined selective binding motifs are necessary. The snake venom KTS-containing disintegrins, that selectively block collagen α1β1 integrin, were used as lead compounds for the synthesis and structure-activity relationship of a series of linear peptides containing the KTS-pharmacophore and alternating natural amino acids and 3-aminobenzoic acid (MABA). To ensure a better stiffness and metabolic stability, one, two and three MABA residues, were introduced around the KTS pharmacophore motif. Molecular dynamics simulations have determined that the solution conformation of MABA peptide 4 is more compact, underwent larger conformational changes until convergence, and spent most of the time in a single cluster. The peptides’ binding affinity has been characterized by enzyme linked immunosorbent assay in which the most potent peptide 4 inhibited with IC50 of 324±8 µM and 550±45 µM the binding of GST-α1-A domain to collagen IV fragment CB3, and the cell adhesion to collagen IV using α1-overexpressor cells, respectively. Docking studies and MM-GBSA calculations confirmed that peptide 4 binds a smaller region of the integrin near the collagen- binding site and penetrated deeper into the binding site near Trp1. Peptide 4, inhibited tube formation by endothelial cell migration in the Matrigel angiogenesis in vitro assay. Peptide 4 was acutely tolerated by mice, showed stability in human serum, decreased tumor volume and angiogenesis, and significantly increased the survival of mice injected with B16 melanoma cells. These findings propose that MABA-peptide 4 can further serve as an α1β1-integrin antagonist lead compound for further drug-optimization in angiogenesis and cancer therapy.

The high-mountain and arctic plants are considered especially sensitive to the climate changes because of close adaptations to the cold environment. Kalmia procumbens, the typical arctic-alpine species reaches southernmost European localities in the Pyrenees and Carpathians. The aim of the study was the assessment and comparison of K. procumbens current potential niche areas in the Pyrenees and Carpathians and their possible reduction due to climate change, depending on the scenario. Realized niches of K. procumbens in the Pyrenees are compact while in the Carpathians dispersed. In both mountain chains, the species occurs in the alpine and subalpine vegetation belts, going down to elevations of about 1500-1600 m, while the most elevated localities in the Pyrenees are at ca 3000 m, about 500 m higher than in the Carpathians. The localities of K. procumbens in the Carpathians have a more continental climate than in the Pyrenees, with lower precipitation and temperatures but higher seasonality of temperature and of precipitation. The species covered a larger area of geographic distribution during Last Glacial, and reduced area during mid Holocene. Due to the climate warming, the strong reduction of potential area of occurrence to 2100 is expected in the Carpathians and moderate reduction in in the Pyrenees.

Solar photovoltaic systems are becoming increasingly popular due to their outstanding environmental, economic, and technical characteristics. To simulate, manage, and control photovoltaic (PV) systems, the primary challenge is identifying unknown parameters accurately and reliably as early as possible using a robust optimization algorithm. This paper proposes a newly developed cheetah optimizer (CO) and improved CO (ICO) to extract parameters from various PV models. This algorithm, inspired by cheetah hunting behavior, includes several basic strategies: searching, sitting, waiting, and attacking. Although this algorithm has shown remarkable capabilities in solving large-scale problems, it needs improvement concerning its convergence speed and computing time. Here, an improved CO (ICO) is presented to identify solar power model parameters for this purpose. Single-, double-, and PV module models are investigated to test ICO's parameter estimation performance. Statistical analysis uses minimum, mean, maximum, and standard deviation. Furthermore, to improve confidence in test results, Wilcoxon and Freidman rank nonparametric tests are also performed. Compared to other state-of-the-art optimization algorithms, the ICO algorithm is proven to be highly reliable and accurate when identifying PV parameters.

Student-centered teaching practices such as active learning continue to gain momentum in college science education. Many instructors committed to these innovative practices transform their classroom beyond the standard lecture. Nevertheless, widespread implementation of these practices is limited because the learning benefits for students are often attained through increased instructional complexity to which many instructors cannot commit. When co-instructors are teaching the course, the level of commitment to building a student-centered classroom may be even more profound. For these reasons, new tools are needed to help instructors and co-instructors plan, organize, evaluate, and communicate their classroom innovations. Pathway modeling is a tool with potential to fill this gap. Unlike curriculum mapping -- which identifies academic content gaps, redundancies, and misalignments by examining a series of courses within a plan of study – course pathway modeling creates a visual map of a single course and reveals how teaching practices influence short-, mid-, and long-term student learning outcomes. This essay demonstrates how course pathway modeling can help co-instructors better represent the complexity of student-centered teaching practices. We include guides for creating course pathway models and discuss how this approach offers the potential to improve curricular design, course evaluation, student assessment, and communication between co-instructors.

It is currently difficult to obtain accurate fine dust information in residential areas due to the insufficient number of air quality monitoring systems and spatial imbalances. Therefore, a detailed particulate matter dispersion model including factors such as land use and meteorological information was developed in this study and used to create fine dust concentration distribution maps. The fine dust concentration distribution maps currently available to citizens were compared with those obtained by dispersion modeling, and population distribution data were employed to compare the populations exposed to fine dust according to the two methods. The results of the existing method and the developed particulate matter dispersion model differed significantly. For instance, the PM2.5 concentrations in Daejeon, South Korea, on February 17, 2018, were 56% “Good” and 44% “Moderate,” according to the existing method, while they were 31% “Good,” 26% “Moderate,” 28% “Unhealthy,” and 15% “Very Unhealthy,” according to the dispersion model. Furthermore, the existing method indicated that no portion of the population was exposed to poor fine dust concentrations, while the proposed model revealed that over 170 thousand people were exposed to such concentrations. These results on fine dust distributions will contribute to sustainable urban and environmental planning.

It is crucial to immediately curb the spread of a disease once an outbreak is identified in a pandemic. An agent based simulator will enable the policymakers to evaluate the effectiveness of different hypothetical strategies and policies with a higher level of granularity. This will allow them to identify the vulnerabilities and asses the threat level more effectively, which in turn can be used to build resilience within the community against a pandemic. This study proposes a PanDemic SIMulator (PDSIM ) which is capable of modeling complex environments while simulating realistic human motion patterns. The ability of PDSIM to track the infection propagation patterns, contact paths, places visited, characteristics of people, vaccination, and testing information of the population, allows the user to check the efficacy of different containment strategies and testing protocols. The results obtained based on the case studies of Covid-19 are used to validate the proposed model. However, it is highly extendable to all pandemics in general, enabling robust planning for more sustainable communities.

Background: Over the past few years there has been immense evolution in various areas particularly in the areas of digital technologies wherein the pace of change is very high. Industrial areas such as operations and supply chain management together with advanced technologies such as machine learning, big data analytics, artificial intelligence, as well as the Internet of Things, create completely different forms of operational models for various industries. In the area of healthcare too, these emerging computational sophistication is introduced to revolutionise the approaches to prevent, diagnose and treat diverse diseases and illnesses. Objective: The objective of this study is to provide an extensive review of the contemporary approaches utilizing data to cope with significant mental disorders. From over 60 relevant scholarly articles published between 2011 and 2023, it discusses how tools such as predictive modelling, social media analysis, data from smartphones, and chatbots help with issues such as early detection, telemonitoring, provision of psychological support, and individualised prevention. Method: An initial literature review to analyse over 60 research articles, which include empirical studies that were conducted between 2011 and 2023. The research assessed implemented novel digital approaches to mental health interventions including big data analytics for predicting condition status, machine learning for examining social media content, behaviour monitoring through smartphone sensors, and using conversational agents or chatbots. The following is an overview of general conclusions from experimental and descriptive secondary research studies published in professional outlets concerning possible advantages and disadvantages of data science applied to important concerns in mental health. Results: Research reveals that integrating subtle e-health tools in tandem with typical treatment approaches holds the potential to expand mental health services to more or less integrate them into clients’ day-to-day lives, and practically individualize effective treatments accordingly. Technological solutions for instance allow remote risk assessment, symptom monitoring and determination of treatment compliance. New lines of virtualized paradigm solve social challenges that interfere with the conventional provision and consumption of care. However, questions of privacy and the long-term effects as well as clinical adoption are yet to be solved in a analytically distinct manner.

In arid and semi-arid regions, groundwater is often the only available source of water. However, overexploitation and pollution have led to a decrease in both the quantity and quality of ground-water. Therefore, proper management of groundwater resources is essential to promote sustainable development. Numerical simulation has emerged as a valuable tool to address these challenges due to its ability to accurately and efficiently model groundwater systems. This systematic review aims to evaluate the current knowledge on the use of numerical groundwater flow models for planning and water resources management in Latin American countries. A total of 166 research articles published between years 2000 and 2024. We analyzed, summarizing details as: the study regions, numerical simulation methods and software, performance metrics, modeling units, modeling limitations, and prediction scenarios. In addition, we discuss alternatives to address the constraints and difficulties and suggests recommendations for future research. Continued research, improvement and de-velopment of numerical groundwater models is essential to ensure the sustainability of groundwater resources.

Trueperella pyogenes (T. pyogenes) can cause a variety of infections in animals and lead to economic loss in animal husbandry. TatD DNases are considered to be potential virulence factors in Plasmodium falciparum and Streptococcus pneumoniae. However, the function of TatD DNases in T. pyogenes is still unclear. Therefore, the aim of this study was to illustrate the function of TatD DNases of T. pyogenes (TpTatDs) and investigate whether luteolin is able to inhibit DNase function. The findings of our study are anticipated to be crucial to treating infections caused by T. pyogenes. Bioinformatic analysis has been used for the prediction of crucial functional residues of TpTatDs. The function of TpTatDs was investigated in the presence of divalent cations by hydrolyzing DNA with recombinant TatD proteins. Luteolin is a candidate nuclease inhibitor evaluated in our study. The interactions between luteolin and TpTatDs were tested using molecular docking analysis and surface plasmon resonance (SPR) assays. The inhibitory effect of luteolin on TpTatDs was analyzed by agarose gel electrophoresis. Two genes in the genome of T. pyogenes are suspected to encode TatD DNases. According to the length of their nucleotide sequences, they were named tatD960 and tatD825. Both of the TpTatDs, which are magnesium-dependent, were able to hydrolyze linear DNA and plasmids. In this study, we found through molecular docking analysis and SPR assays that luteolin can stably bind with TpTatDs. The gel assay revealed that luteolin can inhibit the DNase activity of TpTatDs. Our results indicated that TatD DNases from T. pyogenes are Mg2+-dependent DNases and exhibit DNA endonuclease activity. Moreover, luteolin reduced their DNA hydrolysis ability by decreasing the binding between TpTatDs and DNA.

This article takes an approach to explaining the behavioral manifestations of the decision making in US companies’ offer of health insurance that is grounded not only on their cost minimizing behavior, but also in a humanness dimension based on the African concept of Ubuntu. In this way, we define an Ubuntu based Random Utility modeling framework, describing the choice process as a tripartite decision making, and implemented using a nationally representative random sample of 1,061 American companies from the Dunn and Bradstreet Business data, supplied by Survey Sampling International to the Associated Press-NORC Center for Public Affairs Research. The results from the three sequentially implemented specifications showed that the relationship between management culture and health plan offering strategy is dependent on other relevant co-variates, which when left out, leads to the problem of omitted variables bias. However, when all variables are included but assumed to enter the relationship exogenously, this results in management culture not having any statistically significant effect on companies' decisions about scope of health plan offering. When the exogeneity assumption is relaxed through a recursively Bivariate Probit model, the system of two equations produces a highly significant management culture effect. In fact, in this later case we see that companies with groups and formal committee management culture are 1.58 times less likely to choose a multiple plan strategy over a single plan strategy, hence failing to show the more wholesome plan offering that would theoretically prevail under Ubuntu style management.

In this work, the degassing process of corn seeds was experimentally and numerically analyzed by removing air or other gases from around the seeds, specifically from the seed coating, in a rough vacuum chamber. The two complementary variants are employed to understand and optimize this process to improve the quality and germination rate of the seeds. Several experiments were conducted with well-established durations and masses of corn seeds at different temperatures to observe and record the behavior of the system, facilitating the modeling of the degasification process in the vacuum compartment. Modeling the degasification operation in the vacuum chamber allowed for determining the pressure profiles on the vacuum chamber and its lid. Numerical simulations were either conducted using a simulation program developed in the Visual Basic Applications (VBA) language for Microsoft Excel to model the degassing process in the vacuum chamber, or with the assistance of specialized software (transient structural analysis and simulation program in the ANSYS Workbench environment). Statistical analysis of the correlation between experimental and estimated pressure values revealed that both the proposed mathematical model and the solution method are well-chosen, with differences expressed through the absolute error (EA) being very small. Structural dynamic analysis carried through the Finite Element Method (FEM) highlights that the chosen materials for manufacturing the vacuum chamber vessel (316 stainless steel) or the chamber lid (transparent acrylic plastic) are durable and capable of withstanding the desired pressure and temperature demands in the seed treatment process. Additionally, through structural dynamic analysis, it was possible to study the deformation of system components, providing a detailed perspective on their structural distribution.

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.

A mathematical model is proposed for quantitative description of the outbreak of novel coronavirus COVID-19 Although the model is relatively simple, the comparison with the public data shows that an exact solution solution of the model (with the correctly-specified parameters) leads to the results, which are in good agreement with the measured data in China and Austria. Prediction of the total number of the COVID-19 cases is discussed and examples are presented using the measured data in Austria, France and Poland.

The tumour-associated isoenzymes, hCA IX and hCA XII catalyze the hydration of carbon dioxide to bicarbonate and protons. These isoforms are highly overexpressed in many types of cancer, where they contribute for the acidification of the tumor environment promoting the tumor cell invasion and metastasis. In this work, in order to identify novel dual hCA IX and XII inhibitors, virtual screening techniques and biological assays were combined. A structure based virtual screening towards hCA IX and XII was performed using a database of approximately 26000 natural compounds. The best shared hits were submitted to a thermodynamic analysis and 3 promising best hits were identified and evaluated in terms of their hCA IX and XII inhibitor activity. In vitro biological assays are in line with the theoretical studies and revealed that Syringin, Lithospermic acid, and (-)- Dehydrodiconiferyl alcohol behave as good hCA IX and hCA XII dual inhibitors.

The SARS-CoV-2 infection is a cause of hypoxemic acute respiratory failure, leading to frequent intensive care unit (ICU) admission. Due to invasive organ support and immunosuppressive therapies, these patients are prone to nosocomial infections. Our aim was to assess the value of daily measurements of C-reactive protein (CRP) and Procalcitonin (PCT) in the early identification of ICU-acquired infections in COVID-19 patients Methods: We undertook a prospective observational cohort study (12 months). All adult me-chanically-ventilated patients admitted for ≥ 72 hours to the ICU with COVID-19 pneumonia were divided into an infected group (n=35) and a non-infected group (n=83). Day 0 was considered as the day of the diagnosis of infection (infected group) and day 10 of ICU stay (non-infected group). The kinetics of CRP and PCT were assessed from day -10 to day 10 and evaluated using a general linear model, univariate, repeated-measures analysis. Results: 118 patients (mean age 63 years, 74% males) were eligible for the analysis. The groups did not differ in patients' age, gender, CRP, and PCT serum levels at ICU admission. However, the infected group encompassed patients with a higher severity (SOFA score at ICU admission, p=0.009) and a higher 28-day mortality (p<0.001). Before D0, CRP kinetics showed a significant increase in infected patients, whereas in noninfected it remained almost unchanged (p<0.001), while PCT kinetics did not appear to retain diagnostic value to predict superinfection in COVID-19 patients (p=0.593). Conclusion: COVID-19 patients who develop ICU-acquired infections exhibited different biomarker kinetics before the diagnosis of those infections. Daily CRP monitoring and the recognition of the CRP kinetics could be useful in the prediction of ICU-acquired infections.