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.

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.

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.

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.

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.

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.

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.

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.

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

Input reconstruction problem is usually encountered in the areas such as virtual sensing, image restoration, sensor linearization, and communications. The input reconstruction problem can be seen as an inverse problem. Given a nominal system, two types of approaches are commonly used for solving the inverse problem. The first one is to directly invert the nominal system, and the second one is to derive an inversion of the nominal system in an indirect way. However, for the first type of approaches, system inversion cannot be directly conducted under some conditions such as there exist nonminimum-phase zeros in the nominal system, while for the second type of approaches, simultaneously guaranteeing stability and causality of the obtained inversion is still not solved well. In order to avoid the drawbacks existing in the two types of approaches, an alternative approach is proposed for input reconstruction. In this approach, the input signal is first modeled as the output of a state-space model, afterwards two Kalman filters for the model resulted by combining the input signal model and the nominal system model are implemented alternatively such that the input signal can be sequentially reconstructed in an infinite horizon. The proposed input reconstruction approach is applied in two examples, and simulation results can illustrate the effectiveness of the proposed approach.

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.

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.

Current numerical methods for simulating biophysical processes in aquatic environments are typically constructed in a grid-based Eulerian framework or as an individual-based model in a particle-based Lagrangian framework. Often, the biogeochemical processes and physical (hydrodynamic) processes occur at different time and space scales, and changes in biological processes do not affect the hydrodynamic conditions. Therefore, it is possible to develop an alternative strategy to grid-based approaches for linking hydrodynamic and biogeochemical models that can significantly improve computational efficiency for this type of linked biophysical model. In this work, we utilize a new technique which links hydrodynamic effects and biological processes through a property-carrying particle model (PCPM) in a Lagrangian/Eulerian framework. The model is tested in idealized cases and its utility is demonstrated in a practical application to Sandusky Bay. Results show the integration of Lagrangian and Eulerian approaches allows for a natural coupling of mass transport (represented by particle movements and random walk) and biological processes in water columns which is described by a nutrient-phytoplankton-zooplankton-detritus (NPZD) biological model. This method is far more efficient than traditional tracer based Eulerian biophysical models for 3-D simulation, particularly for a large domain and/or ensemble simulations.

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.

The paper presents the results of modeling the problem of injecting liquid sulfur dioxide into a porous reservoir initially saturated with methane and ice. The model presented in the paper assumes the formation of three different regions, namely, the near one, saturated with liquid SO2 and its hydrate; the far one, containing methane and ice, and the intermediate one, saturated with methane and water. The effects of various parameters of the porous medium and injected SO2 on the nature of the course of the hydrate formation process have been studied. It is shown that with a decrease in reservoir permeability or injection pressure, the length of the intermediate region decreases, which in the limiting case means the formation of SO2 hydrate in the mode without the formation of an extended region saturated with methane and water. It is shown that such a regime is also typical for the case of high initial injection pressures, as well as low values of the initial reservoir temperature and injection temperature.

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.

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.

The objective of the research was to examine the determinants that determine farmer participation and shallot farming development in search of effective farm management practices. The study used Structural Equation Modeling data analysis. The primary data was collected from direct-structural interviews with 150 randomly chosen shallot farmers in Bantaeng Regency, Indonesia. It was found that the physical attributes of the land, the economic framework of the community, and the political system of the agricultural community were fundamental factors that exerted a positive and significant influence on farmer participation. Therefore, improvements in the physical aspects of land, the economic framework, and the political structure of agricultural communities could promote farmer participation. Furthermore, the farmers’ participation and the political structure of agricultural communities have a positive and significant impact on the development of shallot farming. Thus, by increasing the influence of government officials and community leaders, shallot farming can be promoted. The farmers can then enhance their participation in the shallot farming plan's formulation and implementation, providing the continued development of shallot farming. The findings of this study contribute significantly to the body of knowledge by validating previous research and proposing different ways to improve effective farm management practices in shallot farming.

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 kinase pathway plays a crucial role in blood vessel function. Particular attention is paid to VEGFR-type 2 angiogenesis and vascular morphogenesis as the tyrosin kinase pathway is preferentially activated. In silico studies were performed on several peptides that affect VEGFR2 in both stimulating and inhibitory ways. This investigation aims to examine the molecular properties of VEGFR2, a molecule primarily involved in the processes of vasculogenesis and angiogenesis. These relationships were defined by the interactions between vascular endothelial growth factor receptor 2 (VEGFR2) and the structural features of the systems. The chemical space of the inhibitory peptides and stimulators was described using topological and energetic properties. Furthermore, chimeric models of stimulating and inhibitory proteins (for VEGFR2) were computed using the protein system structures. The interaction between the chimeric proteins and VEGFR was computed. The chemical space was further characterized using complex manifolds and high-dimensional data visualization. The results show that a slightly similar chemical area is shared by VEGFR2 and is shared by stimulating and inhibitory proteins. On the other hand, the stimulator peptides and the inhibitors have distinct chemical spaces.

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.

The optimal structural design is imperative to minimize material consumption and reduce the environmental impact of construction. Given the complexity in the formulation of structural design problems, the process of optimization is commonly performed using artificial intelligence (AI) global optimization, such as Genetic Algorithm (GA). However, the integration of AI-based optimization together with visual programming (VP) in building information modeling (BIM) projects warrants further investigation. This study proposes a workflow by combining structure analysis, VP, BIM, and GA to optimize trusses. The methodology encompasses several steps including: (i) generation of parametric trusses in Dynamo VP; (ii) performing the finite element modeling (FEM) using Robot Structural Analysis (RSA); (iii) retrieving and evaluating the FEM results interchangeably between Dynamo and RSA; (iv) finding the best solution using GA; and (v) importing the optimized model into Revit, enabling the user to perform simulations and engineering analysis, such as life cycle assessment (LCA) and quantity surveying. The feasibility of the proposed workflow was tested on benchmark problems and compared with open literature. The outcomes of this study offer insight into the opportunities and limitations of combining VP, GA, FEA, and BIM for structural optimization applications, particularly to enhance structural efficiency and sustainability in construction.

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 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.

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.

Large-scale crowd phenomena are complex to model because the behaviour of pedestrians needs to be described at both strategic, tactical, and operational levels and is impacted by the density of the crowd. Microscopic models manage to mimic the dynamics at low densities, whereas mesoscopic models achieve better performances in dense situations. This paper proposes and evaluates a novel agent-based architecture to enable agents to dynamically change their operational model based on local density. The ability to combine microscopic and mesoscopic models for multi-scale simulation is studied through a use case of pedestrians at the Festival of Lights, Lyon, France. Pedestrian outflow data is extracted from video recordings of exiting crowds at the festival. The hybrid model is calibrated and validated using a genetic algorithm that optimizes the match between simulated and observed outflow data. Additionally, a local sensitivity analysis is then conducted to identify the most sensitive parameters in the model. Finally, the performance of the hybrid model is compared to different models in terms of density map and computation time. The results demonstrate that the hybrid model has the capacity to effectively simulate pedestrians across varied density scenarios while optimizing computational performance compared to other models.

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.

This study presents the consecutive modification of orange peel (OP) by NaOH and sodium dodecyl sulfate (SDS) for simultaneous elimination of basic dyes from the binary system and modeling the adsorption process using an intelligent tool. The natural and modified biosorbents were characterized by variety of analyses such as: field emission scanning electron microscopy with energy dispersive X-ray, N2 physisorption and Fourier transform infrared spectroscopy techniques. The influence of various variables on dye removal like pH, the quantity of biosorbents, dyes concentration, contact time, and temperature in the binary system were investigated and optimized by an artificial neural network (ANN) model as an intelligent tool. The optimum quantity of the sorbent was found to be 0.30 g for orange peel (OP) and 0.25 g for NaOH-treated OP (NOP) and SDS-decorated NOP (SNOP) at pH = 7. The kinetics and thermodynamics investigations showed that the removal of dyes obeyed the pseudo-second-order kinetic model and were spontaneous and exothermic in nature. Moreover, in order to describe the mechanism of sorption process, desorption studies of dyes were carried out. The desorption percentages of methylene blue (MB) in water and HCl were found to be in the range of 1.93%–4.76% and 18.87%–28.76%, respectively; in addition, the desorption percentages of crystal violet (CV) in water and HCl were obtained to be in the range of 4.11%–7.41% and 32.84%–43.00%, respectively; which could be a recommendation ion exchange or electrostatic attachment of dyes onto biosorbents. The ANN predictions matched with the experimental data very well (0.95308 < R2 < 0.99191 and 0.98335 < R2 < 0.99773 for MB and CV, respectively) which indicated high accuracy of the ANN model. In addition, the relative importance of each parameter was calculated by Garson’s equation.

Aiming for the problems emerging in the PWM drive system with long cables, accurate modeling of power cables is the premise to predict and analyze the relevant phenomenon, and a proper filter design is the key solution to these problems. This paper proposes high-frequency cable models to represent the frequency-dependent characteristics, especially for the high-frequency resistance of the cable that is an easily overlooked factor but determines the damping of overvoltage. The proposed models can be used for accurately representing the cable parameters in a wide frequency range, and correctly simulating the differential mode (DM) overvoltage and common mode (CM) current, including the peak value, oscillation frequency and damping of the transient waveform. In addition, improved filter networks are proposed to suppress the DM voltage and CM current, with the merit of low losses, small volume and an excellent ability of suppressing overvoltage. The proposed cable models and the filter design have been validated in a 750W PWM drive system with 200m power cables.

The Agricultural Policy/Environmental eXtender (APEX) model is widely used for evaluating agricultural conservation efforts and their effects on soil and water. A key component of APEX application in Korea is simulating water quality impacts of rice paddies because rice agriculture claims the largest cropland area in the country. In this study, a computational module called APEX-Paddy is developed to simulate water quality with considering pertinent paddy management practices such as puddling, flood irrigation management. Data collected at two experimental paddy sites in Korea were used to calibrate and validate the model. Results indicate that APEX-Paddy performs well in predicting runoff discharge rate and nitrogen yield while the original APEX highly overestimates runoff rates and nitrogen yields on large storm events. With APEX-Paddy, simulated and observed flow and mineral nitrogen yield (QN) are found to be highly correlated after calibration (Nash & Sutcliffe Efficiency (NSE) = 0.87 and Percent Bias (PBIAS) = −14.6% for flow; NSE = 0.68 and PBIAS = 2.1% for QN). Consequently, the APEX-Paddy showed a greater accuracy in flow and QN prediction than the original APEX modeling practice using the SCS-CN method.

Chemical vapor deposition (CVD) is a vital process for depositing thin films of various materials with precise control over thickness, composition, and properties. Understanding the heat and mass transfer mechanisms during CVD is essential for optimizing process parameters and ensuring high-quality film deposition. This review provides an overview of recent advancements in the heat and mass transfer modeling for chemical vapor deposition processes. It explores innovative modeling techniques, recent research findings, emerging applications, and challenges in the field. Additionally, it discusses future directions and potential areas for further advancement in CVD modeling.

The energy yield of the Vehicle-integrated photovoltaic (VIPV) differs from that of the standard photovoltaics (PV). It is mainly by the difference of the solar irradiance onto the car-roof and car-bodies as well as its curved-shape. Both meaningful and practical modeling and measurement of the solar irradiance for VIPV are needed to be newly established, not the extension of the current technologies. The solar irradiance was modeled by a random distribution of the shading objects and car-orientation with the correction of the curved surface of the PV modules. The measurement of the solar irradiance onto the car-roof and car-body was done using five pyranometers in five local axes on the car for one year. The measured dynamic solar irradiance onto the car-body and car-roof was used for validation of the solar irradiance model in the car.

Decomposition of natural and synthetic polymeric materials (peat, humates, biochar, strongly swelling hydrogels and other soil conditioners) in a biologically- and chemically- active soil environment inevitably leads to their degradation and ability to improve the structure, water-retention, absorptive capacity and actual fertility of artificial soil constructions in urbanized ecosystems and agro landscapes (constructozems). Quantitative assessment of the biodegradation process using field and laboratory incubation experiments, as well as mathematical modeling, showed the possibility of significant (up to 30-50% per year) losses of organic matter of constructozems and a corresponding deterioration in their quality. Incubation experiments with the analysis of carbon dioxide emission for polymeric materials under given thermodynamic conditions allow to estimate the potential rates of their decomposition (half-life) and their dependence on the dose of inhibitors of microbial activity. Special nomographs provide an opportunity to determine the optimum depth of the arrangement of organic components in soil constructions to ensure their stable functioning during a fixed operating time in urban conditions. The results of the study are useful for geo-engineers and landscaping practitioners.

This study addresses the prevalent gap between formal and informal architectural methodologies in software engineering. Recognizing the potential of informal architecture artifacts in analytical processes, we introduce a groundbreaking methodology that efficiently transforms these informal components into structured formal models. This method facilitates a deeper understanding and utilization of informal diagrams and enhances analytical capabilities through graph analysis techniques. By leveraging user-friendly tools like Draw.io, the methodology democratizes the modeling process, making sophisticated architectural analyses accessible to a broader spectrum of professionals without requiring deep expertise in formal methods. The innovative aspects of this methodology lie in its ability to streamline the transformation process, significantly improving both the efficiency and effectiveness of model creation and analysis. These enhancements are demonstrated through a practical application involving a sample architecture diagram, where the resulting model is thoroughly analyzed using advanced graph analysis tools like Python's NetworkX library and Neo4j. This approach bridges the theoretical and practical divides in software architecture and sets a new standard for integrating informal artifacts into systematic engineering workflows. In addition, considerations for Artificial Intelligence developments are discussed.

In recent times, there has been significant enthusiasm for the development of all solid state batteries. This interest stems from a dual focus on safety—addressing concerns related to toxic and flammable organic liquid electrolytes—and the pursuit of high energy density. \cite{SCHNELL2018160,Zheng2018}. While liquid electrolyte batteries constitute for now the vast majority of commercial cells, solid electrolyte batteries show great promise. In parallel with experimental research, computational models \cite{GrazioliEtAlCM2016} clarify the several fundamental physics \cite{LiMonroeARCBM2020} that take place throughout battery operations. We review some classical models, emphasizing the conceptual advancements documented in the most recent works.

This paper presents GeoFlood, a new open-source software package for solving shallow water equations (SWE) on a quadtree hierarchy of mapped, logically Cartesian grids managed by the parallel, adaptive library ForestClaw (Calhoun and Burstedde, 2017). The GeoFlood model is validated using standard benchmark tests from Neelz and Pender (2013) and against George (2011) results obtained from the GeoClaw software (Clawpack Development Team, 2020) for the historical Malpasset dam failure problem. The benchmark test results are compared against GeoClaw and software package HEC-RAS (Hydraulic Engineering Center - River Analysis System, Army Corp of Engineers) results (Brunner, 2018). This comparison demonstrates the capability of GeoFlood to accurately and efficiently predict flood wave propagation on complex terrain. The results from comparisons with the Malpasset dam break show good agreement with the GeoClaw results and are consistent with the historical records of the event.

Despite significant milestones in armed conflict research generally and climate security research specifically, methodologically tight explanation of naturally caused armed conflict still leaves much to be desired. In this article we unpack the black box of the climate-security nexus and advance causal modelling of armed conflict. To infer effects of natural causes on armed conflict outcomes, we apply recent advances in causal methods to conflict outcomes that have been non-experimentally observed across Iraqi municipalities. Retrieval of an entire empirical causal structure of climate-conflict pathways allows us to corroborate the existence of a cause-and-effect relationship between climatological, environmental, and demographic variables and armed conflict. We confirm that soil temperature, population density, and variability of latent energy cause an increase in fatalities, while rice production decreases fatalities. We discuss our findings, their limitations, and future research directions, and reflect on their relevance for policy interventions.

In the field of modeling social systems, the use of agent-based models (AM) has become a powerful tool for understanding processes occurring in society, in particular, for studying the spread of infections among the population. The agent model is based on a synthetic population consisting of agents, their interactions and sometimes the territory in which the interaction occurs. The choice of an appropriate method for creating such artificial populations and the selection of parameters becomes a key issue affecting the realism of the model and its ability to reflect real-world scenarios. This article delves into the interplay between agent-based modeling, synthetic population construction, and parameter selection, offering our insight into the complex process of modeling infectious disease dynamics. The review concludes with an exploration of extending the Covasim model [1] to experiments in computational epidemiology. Covasim, a dynamic transmission modeling tool, is known for its ability to adapt to different scenarios and offers predictive information critical for managing epidemiological situations. The Covasim model could include improvements to better simulate real-world epidemic conditions, including a revised transmission strategy to account for accumulation through daily contacts. In addition, we propose to add a module for intercity travel and a visualization package that will significantly expand the functionality of Covasim. These improvements make Covasim a more versatile and efficient tool for modeling and analyzing epidemic processes.

Background: Previous papers have developed a statistical mechanics of neocortical interactions (SMNI) fit to short-term memory and EEG data (Ingber, 2018). Adaptive Simulated Annealing (ASA) was used for all fits to data. A numerical path-integral for quantum systems, qPATHINT, was used. Objective: The quantum path-integral for Calcium ions was used to derive a closed-form analytic solution at arbitrary time. The quantum effects is parameterized here, whereas the previous 2018 paper applied a nominal ratio of 1/2 to these effects. Method: Methods of mathematical-physics for optimization and for path integrals in classical and quantum spaces are used. The quantum path-integral is used to derive a closed-form analytic solution at arbitrary time, and is used to calculate interactions with classical-physics SMNI interactions among scales. Results: The mathematical-physics and computer parts of the study are successful, in that three cases with Subjects (blind to this author) after 1,000,000 visits to the cost function gave: Subject-07 = 0.04, Subject-08 = 0.55, and Subject-09 = 1.00. All other 9 Subjects gave 0.

The present paper is aimed at presenting an updated review of prediction methods for the aerodynamic noise of ducted rotor-stator stages. Indeed, ducted rotating-blade technologies are in continuous evolution and increasingly used, for both aeronautical propulsion units, power generation and air conditioning systems. Different needs are faced, from the early design stage to the final definition of a machine. Fast-running, approximate analytical approaches and high-fidelity numerical simulations are considered as the best suited tools for each, respectively. Recent advances are discussed, with emphasis on their pros and cons.

This research examines the impact of social equity on energy consumption. We constructed a digital twin for residential energy consumption by enriching the synthetic population with real-world surveys and feeding them with other environmental and appliance data to the energy modeling framework. We analyzed household hourly energy consumption data from Albemarle County and Charlottesville City in Virginia, USA, for the year 2019. We used clustering analysis to identify patterns in social equity and energy consumption. The results demonstrated the impact of different residential attributes on energy poverty. Statistical analyses, including ANOVA and Chi-Squared tests, were conducted to test for significant differences between racial groups in quantitative and categorical variables. The study found that race is significant in determining the location and quality of housing. People of color often live in areas with higher pollution and less access to green spaces. Additionally, income levels and the age of the house are influential factors in determining energy efficiency. Future work should focus on collecting and analyzing data at the country level and using qualitative data collection methods to gain a more comprehensive understanding of social equity issues concerning energy consumption. Overall, this study provides valuable insights into the relationship between different residential attributes and energy consumption, which can inform policy development to promote more equitable and sustainable communities.

Groundwater modeling is a useful tool for assessing sustainability in water resources planning. However, groundwater models are difficult to construct in regions with limited data availability. We illustrated how remote sensing data can be used leverage limited in situ data to build and calibrate a regional groundwater model in the Goulbi Maradi alluvial aquifer in Southern Niger in Western Africa. We used data from the NASA Gravity Recovery and Climate Experiment (GRACE) satellite mission to estimate recharge rates, the primary source of water to the aquifer. Additionally, we incorporated groundwater storage changes obtained from GRACE data from 2009 to 2021 to establish an overall water budget from which we could back-calculate groundwater withdrawals from pumping in the region. This approach allowed us to calibrate the model and then convert it to a predictive tool to analyze the impact of various assumptions about future recharge and groundwater extraction patterns associated with the development of groundwater infrastruction in the region. The results indicate that the Goulbi Maradi alluvial aquifer is sustainable, even an increase of groundwater extraction up to 28%.

This study is part of a project designed to simulate the long-term landform equilibrium of a rehabilitated mine site. The project utilizes event fine suspended sediment (FSS) fluxes in a receiving stream following a rainfall event as an indicator of landform stability. The aim of this study was to use HEC-HMS to determine sediment and discharge quantity upstream to determine how it affects the downstream development of the catchment landform, in terms of sediment changes and geomorphology. Thus, the study focused on hydrology and sediment modelling of the upper catchment with HEC-HMS (Hydrologic Engineering Center-Hydrologic Modeling System) to determine daily discharge and sediment output at the catchment outlet. HEC-HMS was used to calibrate the stream discharge and FSS quantities at the catchment outlet to observed continuous discharge and FSS values. Calibration of the HEC-HMS model was done for two water years and then the same model parameters were used to validate the model for a third water year. Catchment discharge and FSS were calibrated and validated for continuous rainfall events against observed discharge and FSS data at the catchment outlet. The model was then run for a projected rainfall of 50 years. The denudation rate predicted by the model falls in the range previously determined for the region. The simulated sediment output was compared to the rainfall trends over the years. As a result, the sediment spikes following a rainfall-runoff event gradually decreased over time. Reducing FSS spikes indicate that the landform gradually attains stability. This modeling study can be used for long-term simulations to determine erosion equilibrium over the years and to quantify sediment yield in catchments for projected wet and dry rainfall scenarios.

If the development of machine learning and artificial intelligence plays a role in many fields of research and technology today, it has a special relationship with neurosciences. Indeed, historically inspired by our knowledge of the brain, deep learning shares some vocabularies with neurosciences and can sometimes be considered a brain’s model. Taking the particular example of epileptic seizure, which can develop in any biological neural tissue, we raise the question if and how the models used for deep learning can capture or model these pathological events. This particular example is a starting point to discuss the nature, limits, and functions of these models, and what we expect from a model of the brain. Finally, we argue that a pluralistic approach leading to the integrated coexistence of different models is necessary to study the brain in all its complexity.

Task sharing approaches are challenged by the barriers fundamental to the use of non-specialists who lack specialist mental health training required to triage the candidates who could benefit from task-shared treatments. However, these challenges could be offset by using standardized and easy-to-implement algorithmic devices (e.g., nomograms) to help with the targeted dissemination of interventions. Therefore, the present investigation posits a prognostic model and a nomogram to predict the prognosis of perinatal depression among women in rural Pakistan. This secondary analysis utilizes data based on 903 pregnant women with depression who participated in a cluster randomized controlled trial that tested the effectiveness of the Thinking Healthy Program in rural Rawalpindi, Pakistan. The participants were recruited from 40 union councils in two sub-districts of Rawalpindi and randomly assigned to intervention and enhanced usual care. Sixteen sessions of the THP intervention were delivered by trained community health workers to women with depression over pregnancy and the postnatal period. A trained assessment team used the Structured Clinical Interview for the DSM-4 current major depressive episode module to diagnose depression at the baseline and post-intervention. The intervention received by the participants emerged as the most significant predictor in the model. Among clinical factors, baseline severity of core-emotional symptoms emerged as an essential predictor, followed by atypical symptoms and insomnia. Higher severity of these symptoms was associated with a poorer prognosis. Other important predictors of a favorable prognosis included living with paternal and maternal grandmothers, financial empowerment, higher socioeconomic class, and living in a joint family system. This prognostic model yielded acceptable discrimination (c-statistic =0.75) and calibration to aid in personalized delivery of psychological treatment.

The incorporation of unmanned aircraft terminal operations into the scope of Detect and Avoid systems necessitates analysis of the safety performance of those systems—principally, an assessment of how well those systems prevent loss of well clear from and collision with other aircraft. This type of analysis has typically been conducted by Monte Carlo simulation with synthetic, statistically representative encounters between aircraft drawn from an appropriate encounter model. While existing encounter models include terminal airspace classes, none explicitly represents the structure expected while engaged in terminal operations, e.g., aircraft in a traffic pattern. The work described herein is an initial model of such operations, scoped at this time specifically for assessment of unmanned aircraft landings and encounters with other aircraft either landing or taking off. The model shares the Bayesian network foundation of other MIT Lincoln Laboratory encounter models but tailors those networks to address structured terminal operations, i.e., correlations between trajectories and the airfield and each other. This initial model release is intended to elicit feedback from the standards-writing community.

Concrete is a heterogeneous material with a disordered material morphology that strongly governs the behavior of the material. In this contribution, we present a computational tool called the Concrete Mesostructure Generator (CMG) for the generation of ultra-realistic virtual concrete morphologies for mesoscale and multiscale computational modeling and simulation of concrete. Given an aggregate size distribution, realistic generic concrete aggregates are generated by a sequential reduction of a cuboid to generate a polyhedron with multiple faces. Thereafter, concave depressions are introduced in the polyhedron using gaussian surfaces. The generated aggregates are assembled into the mesostructure using a hierarchic random sequential adsorption algorithm. The virtual mesostructures are first calibrated using laboratory measurements of aggregate distributions. The model is validated by comparing the elastic properties obtained from laboratory testing of concrete specimens with the elastic properties obtained using computational homogenisation of virtual concrete mesostructures. Finally, a 3D-convolutional neural network is trained to directly generate elastic properties from voxel data.

U.S. Navy Surface Ship depot-level maintenance periods of performance were studied to develop a method for predicting maintenance durations. The need for the method has been highlighted by Navy leadership in recent media posts describing unacceptable maintenance delays and this research provides practitioners and decisionmakers with a reliable estimating tool. This study helps by putting forth a method that defines the rate of work accomplishment based on relevant variables. Using ordinary least squares models, this research revealed that the size of the contract obligation and the amount of shipyard work occurring simultaneously in the market are key variables in determining depot maintenance durations. With the knowledge found here, the next logical step is an optimization model for each U.S. Navy surface ship homeport.

Nutrient management of lowbush blueberry (Vaccinium angustifolium Ait.) depends on several yield-limiting features. Machine learning models can process such yield-impacting variables to predict berry yield. We investigated the effects of local variables on yields and nutrient management of lowbush blueberry. We collected 1504 observations from N-P-K fertilizer trials conducted in Quebec, Canada. Meteorological indices at various phenological stages showed the greatest impact on yield. High mean temperature at flower bud opening and after fruit maturation, and total precipitation at flowering showed positive effects. Low mean temperature and low total precipitation before bud opening, at flowering, and by fruit maturity, as well as number of freezing days (< -5ºC) before flower bud opening, showed negative effects. Soil fertility variables, leaf nutrient compositions and N-P-K fertilization showed smaller effects. Gaussian processes predicted berry yields from historical weather data, soil analysis, fertilizer dosage, and leaf nutrients with a root-mean-square-error of 1447 kg ha-1 on the testing data set. An in-house Markov chain algorithm optimized yields modelled with Gaussian processes from leaf nutrient composition, soil test value, and fertilizer dosage conditioned to specified historical weather features. We propose to use conditioned machine learning models to manage nutrients of lowbush blueberry at local scale.

The concept of transit-oriented development (TOD) has been widely recognized in recent years for its role in reducing car traffic, improving public transportation, and enhancing traffic sustainability. This paper conducts empirical research on a developed rail transit network, using Shanghai as a case study. In addition to traditional TOD features, other factors based on urban rail transit are introduced, including multi-level modeling (MLM), which is used to analyze the possible factors influencing rail patronage. To avoid the bias of research results led by the correlation between independent variables, factors are divided into two levels. The first level includes three groups of variables: the built environment, station characteristics, and socioeconomic and demographic characteristics. The second level includes a set of variables which are regional characteristics. Results show that the most significant impact on train patronage is station location in the business district area. Other factors that have a positive effect on promoting rail transit travel include the number of service facilities around the station, degree of employment around the station, economic level, intensity of residential development, if the station is a transfer station, the operating period of the station, and the size of the large transportation hub around the station.

Operational weather and also flood forecasting has been performed successfully for decades and is of great socioeconomic importance. Up to now, forecast products focus on atmospheric variables, such as precipitation, air temperature and, in hydrology, on river discharge. Considering the full terrestrial system from groundwater across the land surface into the atmosphere, a number of important hydrologic variables are missing especially with regard to the shallow and deeper subsurface (e.g. groundwater), which are gaining considerable attention in the context of global change. In this study, we propose a terrestrial monitoring/forecasting system using the Terrestrial Systems Modeling Platform (TSMP) that predicts all essential states and fluxes of the terrestrial hydrologic and energy cycles from groundwater into the atmosphere. Closure of the terrestrial cycles provides a physically consistent picture of the terrestrial system in TSMP. TSMP has been implemented over a regional domain over North Rhine-Westphalia and a continental domain over European in a real-time forecast/monitoring workflow. Applying a real-time forecasting/monitoring workflow over both domains, experimental forecasts are being produced with different lead times since the beginning of 2016. Real-time forecast/monitoring products encompass all compartments of the terrestrial system including additional hydrologic variables, such as plant available soil water, groundwater table depth, and groundwater recharge and storage.

A finite-difference approach with non-uniform meshes was presented for simulating magnetotelluric responses in 2D structures. We presented the formulation of this scheme and gave some sights into its successful implementation, and compared finite-difference solution with known numerical results and simple analytical solutions. First, a homogeneous half-space model was tested and the finite-difference approach can provide very good accuracy for 2D magnetotelluric modeling. Then we compared to the analytical solutions for the two-layered model, the relative errors of the apparent resistivity and the impedance phase were both increased when the frequency was increased. In the end, we compare our finite-difference simulation results with COMMEMI 2D-0 model with the finite-element solutions. Both results are in close agreement to each other. These comparisons confirm the validity and reliability of our finite-difference algorithm.

In power systems there are complex transformer structures, whose accurate analysis is not possible using the techniques available today. This paper presents a systematic data driven analysis method for coupled inductors of arbitrary complexity. The method first establishes a winding matrix N mapping the windings to the limbs of the transformer. A permeance matrix P is created from the reluctance network of the magnetic core. A generalized inductance matrix L mapping currents in the transformer windings to the induced voltages is generated based on the winding (N) and permeance (P) matrices. The inductance matrix representation of a coupled inductor is then transformed to an admittance matrix, which can be integrated to the nodal analysis of the electrical circuit surrounding the coupled inductor. The method presented is validated by simulations with real transformer structures using electromagnetic transient program (EMTP/ATP).

In this work, the thermodynamic data basis and EOS modeling necessary to simulate the fractionation of organic liquid products (OLP), a liquid reaction product obtained by thermal catalytic cracking of palm oil at 450ºC, 1.0 atmosphere, with 10% (wt.) Na2CO3 as catalyst, in multistage countercurrent absorber/stripping columns using SC-CO2 as solvent, with Aspen-Hysys was systematically investigated. The chemical composition of OLP was used to predict the physical (), thermo-physical properties (Tb, Tc, Pc, Vc), and acentric factor () of all the compounds present in OLP by applying the group contribution methods of Marrero-Gani, Han-Peng, Marrero-Pardillo, Constantinou-Gani, Joback and Reid, and Vetere. The RK-Aspen (EOS) used as thermodynamic fluid package, applied to correlate the experimental phase equilibrium data of binary systems organic liquid products compounds (OLP)-i/CO2 available in the literature. The group contribution methods selected based on the lowest relative average deviation by computing Tb, Tc, Pc, Vc, and . For n-alkanes, the method of Marrero-Gani selected for the prediction of Tc, Pc and Vc, and that of Han-Peng for . For alkenes, the method of Marrero-Gani selected for the prediction of Tb and Tc, Marrero-Pardillo for Pc and Vc, and Han-Peng for . For unsubstituted cyclic hydrocarbons, the method of Constantinou-Gani selected for the prediction of Tb, Marrero-Gani for Tc, Joback for Pc and Vc, and the undirected method of Vetere for . For substituted cyclic hydrocarbons, the method of Constantinou-Gani selected for the prediction of Tb and Pc, Marrero-Gani for Tc and Vc, and the undirected method of Vetere for . For aromatic hydrocarbon, the method of Joback selected for the prediction of Tb, Constantinou-Gani for Tc and Vc, Marrero-Gani for Pc, and the undirected method of Vetere for . The regressions show that RK-Aspen EOS was able to describe the experimental phase equilibrium data for all the binary pairs undecane-CO2, tetradecane-CO2, pentadecane-CO2, hexadecane-CO2, octadecane-CO2, palmitic acid-CO2, and oleic acid-CO2, showing average absolute deviation (AADx) between 0.8% and 1.25% for the liquid phase and (AADy) between 0.01% to 0.66% for gaseous phase.

Evapotranspiration (ET) is a major component of water budget in Bottomland Hardwood Forests (BHF) and is driven by a complex intertwined suite of meteorological variables. The understanding of these interdependencies leading to seasonal variations in ET is crucial in better informing water resource management in the region. We used a structural equation modeling approach to analyze the drivers of ET using Eddy covariance water and heat flux data collected from a BHF, located in the Russel Sage Wildlife Management Area (RSWMA). It consists of mature closed-canopy deciduous hardwood trees with an average canopy height of 27 m. Factor analysis was used to characterize the shared variance among drivers and path analysis was used to quantify independent contributions of individual drivers. In our results, ET and net radiation (Rn) showed similar variability patterns with Vapor Pressure Deficit (VPD) and temperature in Spring, Summer, and Autumn seasons while they differ in Winter season. The path analysis shows that Rn has the strongest influence on ET variations via direct and indirect pathways. In the deciduous forests like BHFs, our results suggest ET is more energy-dependent during growing season (Spring and Summer) and early non-growing season (Autumn) while more temperature-dependent during winter season.

Ca Mau Peninsula (CMP), the southernmost region of the Mekong Delta, is facing a severe loss of land and freshwater. Particularly, the groundwater resources in the complex multilayered aquifer system of CMP are subject to salinization processes, which are not yet fully understood. In this study, an existing groundwater flow model for the CMP was enhanced to a density-dependent transient transport model using the FEFLOW software package, which is based on the finite element method. The study focuses on simulating groundwater salinity in order to better understand the dynamics of groundwater salinization and potential saltwater intrusion pathways in the study area. Time series of Total Dissolved Solids (TDS) concentrations at observation wells were used to compare simulated and observed salinity data in different aquifers. The model allows a multi-factorial evaluation of the spatial groundwater salinity and could also confirm significant inter-annual variability, particularly in the case of shallow aquifers due to the influence of tides and seasonal rainy/dry seasons. Using sensitivity analysis, leakage from upper saline aquifers into lower freshwater aquifers through natural hydrogeological windows and poorly sealed boreholes was identified as a potential major cause for groundwater salinization occurring in the region. The results obtained can serve as an important basis for developing decision-making tools to promote the sustainable use of water resources on the CMP in the future.

Interpretive Structural Modelling (ISM) is widely used to understand the complex connections between different components. This study presents a bibliometric overview of ISM research with a focus on its linkages to the Sustainable Development Goals (SDG) and the impact of COVID-19. The study analyzed 1988 publications on ISM published between 2012 and 2021, of which 1202 were directly mapped to the SDG and 59 were related to COVID-19. The study identified key authors, institutions, countries, and journals involved in the research and their linkages to the SDG. The results showed that ISM research is strongly linked to SDG 12 (Responsible Consumption and Production) and SDG 9 (Industry, Innovation and Infrastructure). We also identified influential SDG based on centrality measures like betweenness and eigenvector. The top four countries contributing to ISM publications were India, China, the United Kingdom, and the United States. The most frequently cited journals were Benchmarking: An International Journal, Sustainability, Journal of Modelling in Management, and Journal of Cleaner Production. Four main clusters were identified in the ISM research, including (1) integration with AHP & Fuzzy Logic for promoting sustainability alignment, (2) ISM-based strategy development for various stakeholders, (3) ISM-based decision-making in various fields, and (4) ISM-based risk evaluation. For the first time studies that used ISM approach to understand the epidemiological characteristics of COVID-19 were identified and their key findings were discussed. The study also identified several emerging topics for future ISM research, such as blockchain & IoT, environmental management systems, climate change adaptation, smart cities, and humanitarian logistics and their potential linkages to SDG.

The Virtual Blade Model (VBM) is the implementation of the Blade element model (BEM). This was done by coupling the Blade Element Momentum theory equations to simulate rotor operation with the Reynolds Averaged Navier-Stokes (RANS) equation to simulate rotor wake and the turbulent flow field around it. Exclusion of actual geometry of blades causes lower computational cost (about 10 to 100 times). Also, due to simplifications in the meshing procedure, VBM is easier to set up than the models that consider the actual geometry of blades. One of the main unaddressed limitations of the VBM code was the constraint of modeling up to ten rotor zones within one computational domain. This paper provides a detailed and well-documented general methodology to develop a virtual blade model for simulation of ten-plus turbines within one computational domain to remove the limitation of this widely used and robust code. It is strongly believed that the technical contribution of this paper, combined with the current sky-rocketing advancement of available computational resources and hardware, would open the gates to simulate various engineering problems in the field of aerospace, clean energy, and many more.

Creating accurate emission models capable of capturing the variability and dynamics of modern propulsion systems is crucial for future mobility planning. This paper presents a methodology for creating THC and NOx emission models for vehicles equipped with start-stop technology. A key aspect of this endeavor is to find techniques that accurately replicate the engine stop stages when there are no emissions. To this end, several machine learning techniques were tested using the Python programming language. Random forest and gradient boosting methods demonstrated the best predictive capabilities for THC and NOx emissions, achieving R2 scores of approximately 0.9 for both cold and hot engine emissions. Additionally, recommendations for effective modeling of such emissions from vehicles are presented in the paper.