In this paper we propose a computational framework that merges mechanistic modeling with deep neural networks obeying the Systems Biology Markup Language (SBML) standard. Over the last 20 years, the systems biology community has developed a large number of mechanistic models in SBML that are currently stored in public databases. With the proposed framework, existing SBML mechanistic models may be upgraded to hybrid systems through the incorporation of deep neural networks into the model core, using a freely available python tool. The so-formed hybrid mechanistic/neural network models are trained with a deep learning algorithm based on the adaptive moment estimation method (ADAM), stochastic regularization and semidirect sensitivity equations. The trained hybrid models are encoded in SBML and stored back in model databases, where they can be further analyzed as regular SBML models. The application of this approach is illustrated with three well-known case studies: the threonine synthesis model in Escherichia coli, the P58IPK signal transduction model, and the Yeast glycolytic oscillations model. The proposed framework is expected to greatly facilitate the widespread use of hybrid modeling techniques for systems biology applications.

Current bridge inspection practices rely on paper-based data acquisition, digitization, and multiple conversions in between incompatible formats to facilitate data exchange. This practice is time-consuming, error-prone, cumbersome, and leads to information loss. One aim for future inspection procedures is to have a fully digitized workflow that achieves loss-free data exchange, which lowers costs and offers higher efficiency. On the one hand, existing studies proposed methods to automatize data acquisition and visualization for inspections. These studies lack an open standard to make the gathered data available for other processes. On the other hand, several studies discuss data structures for exchanging damage information through out different stakeholders. However, those studies do not cover the process of automatic data acquisition and transfer. This study focused on a framework that incorporates automatic damage data acquisition, transfer, and a damage information model for data exchange. This enables inspectors to use damage data for subsequent analyses and simulations. The proposed framework shows the potentials for a comprehensive damage information model and related (semi-)automatic data acquisition and processing.

Background/Objectives: Endometriosis represents substantial direct and indirect healthcare costs impacted by absent accurate, non-invasive uniformly diagnostic tools. We endeavored to demonstrate gastrointestinal myoelectrical activity (GIMA) biomarkers unique to endometriosis allow noninvasive, uniformly accurate diagnosis or exclusion of endometriosis. Methods: Prospective open-label comparative study of 154 patients, age >18, with or without diagnosed endometriosis. Population included 62 non-endometriosis controls (Cohort 1), 43 subjects with surgically histologically-confirmed endometriosis (Cohort 2), and 49 subjects with abdominal pain and negative imaging (Cohort 3). Electroviscerography (EVG) recorded GIMA biomarkers from three abdominal electrodes before and 30-minutes post water-load protocol. Cohort 2 had postoperative EVG and Cohort 3 had preoperative EVG. Calculated specificity, sensitivity, NPV, PPV and predictive probability or C-Statistic used univariate, multivariate, linear and logistical regression analyses of the area under the curve (AUC) at all frequency and time points, including age and pain covariants. Results: Non-endometriosis cohort differed significantly from endometriosis cohorts (p<0.001) for median (IQR), and AUC percent frequency distribution of power at baseline, 10-minute, 20-minute, and 30-minute post water-load at all frequency ranges 15-20cpm, 30-40cpm and 40-50cpm. Endometriosis cohorts were statistically similar (p>0.05). GIMA biomarker threshold scoring demonstrated 95%/91% sensitivity and PPV, 96%/95% specificity and NPV and C-statistic of >99%/98% respectively for age subsets. GIMA biomarkers in Cohort 3 predicted 47/49 subjects positive and 2/49 negative for endometriosis, confirmed surgically. Hormonal therapy, surgical stage, nor pain score affected diagnostic accuracy. Conclusions: Non-invasive electroviscerography with GIMA biomarker detection distinguished participants with and without endometriosis based upon endometriosis specific GIMA biomarkers threshold scoring.

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.

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.

In this study we sought to investigate the impact of urbanization, presence of concrete river bottom, and nutrient pollution on microbial communities along the L.A. River. Six molecular markers were evaluated for identification of bacteria, plants, fungi, fish, and invertebrates in 90 samples. PCA (principal components analysis) was used with PAM (partitioning around medoids) clustering to reveal community structure and an NB (Negative binomial) model in DESeq2 was used for differential abundance analysis. PCA and factor analysis exposed the main axes of variation but were sensitive to outliers. Differential abundance of Proteobacteria was associated with soft bottom sites, and there was an apparent balance in the abundance of organisms responsible for nitrogen cycling. Nitrogen cycling was explained by differential abundance of ammonia oxidizing archaea, the complete ammonia oxidizers Nitrospira sp., nitrate reducing bacteria Marmoricola sp., and nitrogen fixing bacteria Devosia sp. which were differentially abundant at soft-bottom sites (p adj < 0.002). In contrast, differential abundance of several Cyanobacteria and other anoxygenic phototrophs was associated with the concrete bottom sites, which suggested the accumulation of excess nitrogen. The soft bottom sites tended to be represented by differential abundance of aerobes, whereas the concrete-associated species tended to be alkaliphilic, saliniphilic, calciphilic, sulfate dependent, and anaerobic. In Glendale Narrows, downstream from multiple water reclamation plants, there were differential abundance of cyanobacteria and algae, however indicator species for low nutrient environments and ammonia-abundance were also present. There was differential abundance of ascomycetes associated with Arroyo Seco and a differential abundance of Scenedesmaceae green algae and cyanobacteria in Maywood, in the analysis which compared suburban with urban river communities. The proportion of Ascomycota to Basidiomycota within the LA River differed from the expected proportion based on published worldwide freshwater and river 18S data; the shift in community structure was most likely associated with the extremes of urbanization. This study indicates that extreme urbanization can result in overrepresentation of cyanobacterial species that could cause reductions in water quality and safety.

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.

Accurate agricultural commodity price models enable efficient allocation of limited natural resources, leading to improved sustainability in agriculture. Because of climate change, price volatility and uncertainty for the sector are expected to increase in the future, increasing the need for improved price modeling. With the emergence of machine learning (ML) algorithms, novel tools are now available to enhance the modeling of agricultural commodity prices. This research uses both univariate and multivariate ML techniques to perform probabilistic price prediction modelling for the Canadian beef industry, taking into account beef production, commodity market, and international trade features to enhance accuracy. We apply multivariate algorithms by using support vector regression (SVR), random forest (RF), and adaboost (AB) and univariate algorithms by using autoregressive integrated moving average (ARIMA), seasonal ARIMA (SARIMA), and the seasonal autoregressive integrated moving average with exogenous factors (SARIMAX). We apply these models to monthly fed steer price data between January 2005 and September 2023 and compare predicted prices with observed prices using several validation metrics. The outcomes indicate that both random forest (RF) and adaboost (AB) in multivariate modeling show superior performance in accurately predicting Alberta fed steer prices in comparison to other algorithms. To better account for the variance of the best model performance, we subsequently adopted a probabilistic approach by considering uncertainty in our best-selected ML model. The beef industry can use these improved price models to minimize resource waste and inefficiency in the sector and improve the long-term sustainability prospects for beef producers in Canada.

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.

It has been known for nearly over 150 years that fatigue life data exhibits a considerable amount of variability. Furthermore, statistically modeling fatigue life adequately is challenging. Different empirical approaches have been used, each of which has merit; however, none is appropriate universally. Even when a sufficiently robust database exists, the scatter in the fatigue lives may be extremely large and difficult to characterize. The complications in empirical modeling are exacerbated for long life estimation when experimental observations are rare. The purpose of this work is to review traditional and more modern empirically based methodologies for estimating the cumulative distribution functions for fatigue life, given an applied load. To assess the applicability of the methods confidence bounds will be estimated. The analyses will be performed on an historic set of data for annealed aluminum wire tested in reverse torsion fatigue. These data are available in publications. It is recommended that a time dependent distribution function that is an based on principles of reliability that can be generalized for a variety of modeling applications should be considered for fatigue life estimation.

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 number of applications for nanobodies is steadily expanding, positioning these molecules as fast-growing biologic products in the biotechnology market. Several of their applications require protein engineering, which in turn would greatly benefit from having a reliable structural model of the nanobody of interest. However, as with antibodies, structural modeling of nanobodies is still a challenge. With the rise of artificial intelligence (AI), several methods have been developed in recent years that attempt to solve the problem of protein modeling. In this study, we have compared the performance in nanobody modeling of several state-of-the-art AI-based programs, either designed for general protein modeling, such as AlphaFold2, OmegaFold, ESMFold and Yang-Server, or specifically designed for antibody modeling, such as IgFold, and Nanonet. While all these programs performed rather well in constructing the nanobody framework and CDRs 1 and 2, modeling of CDR3 sill represents a big challenge. Interestingly, tailoring an AI method for antibody modeling does not necessarily translate into better results for nanobodies.

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.

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.

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.

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.

Groundwater models serve as support tools to among others: assess water resources, evaluate management strategies, design remediation systems and optimize monitoring networks. Thus, the assimilation of information from observations into models is crucial to improve forecasts and reduce uncertainty of their results. As more information is collected routinely due to the use of automatic sensors, data loggers and real time transmission systems; groundwater modelers are becoming increasingly aware of the importance of using sophisticated tools to perform model calibration in combination with sensitivity and uncertainty analysis. Despite their usefulness, available approaches to perform this kind of analyses still present some challenges such as non-unique solution for the parameter estimation problem, high computational burden and a need of a deep understanding of the theoretical basis for the correct interpretation and use of their results, in particular the ones related to uncertainty analysis. We present a brief derivation of the main equations that serve as basis for this kind of analysis. We demonstrate how to use them to estimate parameters, assess the sensitivity and quantify the uncertainty of the model results using an example inspired by a real world setting. We analyze some of the main pitfalls that can occur when performing such kind of analyses and comment on practical approaches to overcome them. We also demonstrate that including groundwater flow estimations, although helpful in constraining the solution of the inverse problem as shown previously, may be difficult to apply in practice and, in some cases, may not provide enough information to significantly constrain the set of potential solutions.

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

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

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

Optimal conditions for maximum efficacy of photoinitiated polymerization are theoretically presented. Analytic formulas are shown for the crosslink time, crosslink depth and efficacy function. The roles of photoinitiator (PI) concentration, diffusion depth and light intensity on the polymerization spatial and temporal profiles, for both uniform and non-uniform cases, are presented. For optimal efficacy, a strategy via controlled PI concentration is proposed, where re-supply of PI in high light intensity may achieve a combined-efficacy similar to low light intensity, but has a much faster procedure. A new criterion of efficacy based on the polymerization (crosslink) [strength] and [depth] is introduced. Experimental data are analyzed for the role of PI concentration and light intensity on the gelation time and efficacy.

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%.

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.

In this paper major machine learning (ML) tools and the most important applications developed elsewhere for numerical weather and climate modeling systems (NWCMS) are reviewed. NWCMSs are briefly introduced. The most important papers published in this field in recent years are reviewed. The advantages and limitations of the ML approach in applications to NWCMS are briefly discussed. Currently, this field is experiencing explosive growth. Several important papers are published every week. Thus, this paper should be considered a simple introduction to the problem.

The evolution of some epidemics, as influenza, shows common patterns both in different regions and from year to year. On the contrary, epidemics like the novel COVID-19 show quite heterogeneous dynamics and are extremely susceptible to the measures taken to mitigate their spread. In this paper we propose empirical dynamic modeling to predict the evolution of influenza in Spain’s regions. It is a non-parametric method that looks into the past for coincidences with the present to make the forecasts. Here we extend the method to predict the evolution of other epidemics at any other starting territory and we test also this procedure with Spanish COVID-19 data. We finally build influenza and COVID-19 networks to check possible coincidences in the geographical distribution of both diseases. With this, we grasp the uniqueness of the geographical dynamics of COVID-19.

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

Porous materials can be characterized by well-trained neural networks. In this study, fibrous paper-type gas diffusion layers were trained with artificial data created by a stochastic geometry model. The features of the data were calculated by means of transport simulations using the Lattice–Boltzmann method based on stochastic micro-structures. A convolutional neural network was developed that can predict the permeability and tortuosity of the material, through-plane and in-plane. The characteristics of real data, both uncompressed and compressed, were predicted. The data was represented by reconstructed images of different sizes and image resolutions. Image artifacts are also a source of potential errors in the prediction. The Kozeny–Carman trend was used to evaluate the prediction of permeability and tortuosity of compressed real data. Using this method, it was possible to decide if the predictions on compressed data were appropriate.

Hydrodynamic modeling and hazard mapping are essential tools for urban flood mitigation and spatial planning. Leveraging software like HEC-RAS (Hydrologic Engineering Center - River Analysis System) and ArcGIS, this study aimed to map flood-prone areas along the Jijia River in the Ungheni administrative unit of Iasi County. Human-induced environmental changes and global climate shifts have heightened flood risks worldwide, particularly in urbanized areas. Hydrological and hydraulic modeling anticipate and assess flood events, while hydrodynamic modeling accurately simulates flow propagation, in-forming flood extent, timing, and volume. Flood hazard maps offer essential insights into flooded areas, water depths, and velocities, assisting in risk assessment and mitigation strategies. Through the use of different scenarios, river modeling aims to accurately replicate real-world conditions. This study focuses on Ungheni commune in Iasi County, Romania, situated along the Prut River's eastern bank. Utilizing a combination of fixed-grid and irregular mesh elements in modeling al-lows for fine-tuning of flow details and optimization of simulation times. Model accuracy, particularly regarding peak river levels, hinges on hydrograph duration. While a 30-minute error is typically accepted, greater tolerances may apply to river basins with longer response times. The extraction and processing of model results, including maximum water depths, flood extents, and velocity maps, are facilitated by ArcGIS, providing valuable data for effective flood management strategies.

Recently, most countries suffering from global warming due to the waste gases coming out of the combustion engines used to generate electric power by traditional methods. Therefore, many countries are currently trying to find alternative solutions to this problem by using renewable energies such as solar energy, wind energy, and energy generated from the waves of the ocean and sea to overcome pollution problems. The waves of the seas and oceans have enormous and largely untapped energy, so this work presents an efficient way to use the energy of sea waves to generate electricity. And also, trying to be a way to produce electricity from wave energy in the future. The best suitable places along the shores of Jizan city were inspected to install the buoy system to revenue advantage of the wave supreme height to achieve the height amount of electrical energy. A mathematical model was made to analyze the wave energy and convert it into energy extracted by mechanical force. The mathematical analyzes used the data collected from satellite maps of the numerous severe waves in the Red sea of the Jazan area, and the data published in previous research along that area. It was found that the beach of the Al Shuqaiq area is the greatest for installing the buoy and obtaining the highest electrical energy due to the presence of the highest wave intensity, followed by the beach of the Baysh and Al Morgan area. Also, one of the objectives of this research is to study the design of a device powered by a buoy to use the waves of the Red Sea to generate electric power. The influence of the buoy system design parameters such as the buoy diameter, length of the cylinder, and the length of the connecting rod on the electrical energy generation from wave energy was investigated. The current device is designed with a gearbox to produce continuous power with a single electric generator. A floating mooring device uses the rise and fall of bulges to convert sea wave energy into electrical energy. The device consists of a float, arm, two wheels of different diameters, a gear set, and an electric generator. The effect of the design of several factors on the performance of the device for converting the sea waves energy into electrical energy, including the length of the buoy arm, the wave height by changing the cam diameter, and the conversion ratios between the gear set, to optimize the output power of the wave energy.

A multiscale modeling concept for numerical simulation of multiphysics turbulent flow utilizing map-based advection is described. The approach is outlined with emphasis on its theoretical foundations and physical interpretations in order to establish the context for subsequent presentation of the associated numerical algorithms and the results of validation studies. The model formulation is a synthesis of existing methods, modified and extended in order to obtain a qualitatively new capability. The salient feature of the approach is that time advancement of the flow is fully resolved both spatially and temporally, albeit with modeled advancement processes restricted to one spatial dimension. This one-dimensional advancement is the basis of a bottom-up modeling approach in which three-dimensional space is discretized into under-resolved mesh cells, each of which contains an instantiation of the modeled one-dimensional advancement. Filtering is done only to provide inputs to a pressure correction that enforces continuity and to obtain mesh-scale-filtered outputs if desired. The one-dimensional advancement, the pressure correction, and coupling of one-dimensional instantiations using a Lagrangian implementation of mesh-resolved volume fluxes is sufficient to advance the three-dimensional flow without time advancing coarse-grained equations, a feature that motivates the designation of the approach as autonomous microscale evolution (AME). In this sense, the one-dimensional treatment is not a closure because there are no unclosed terms to evaluate. However, the approach is additionally suitable for use as a subgrid-scale closure of existing large-eddy-simulation methods. The potential capabilities and limitations of both of these implementations of the approach are assessed conceptually and with reference to demonstrated capabilities of related methods.

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

When implementing a control system for a ground-based unmanned vehicle (UV) used in agri-culture, an important factor is the low cost of the equipment used, so the use of cameras without lidars for navigation, avoiding obstacles, and ensuring movement safety seems promising. En-suring the safety of movement of UV consists of developing methods and means that make it possible to bypass static and dynamic obstacles and make an emergency stop if it is impossible to bypass. The article describes methods and software that provide detection of objects surrounding the UV through the use of the YOLOv8 neural network, space free for movement through the use of se-mantic segmentation with the MobileNetV3 network architecture, tools for combining several data sources to build a local perception map, as well as linear and angular speed of the UV based on calculating the optimal direction of movement for avoiding obstacles. Testing of the developed methods and software was realized in the Webots simulation environment. Software is developed with ROS2.

Many factors drive land desertification, especially in arid and semi-arid regions. However, the numerous driving factors of desertification make analyses computer expensive. Cloud computing comes along to address this problem, especially in developing countries. The objective of this work was to assess the sensitivity of the East Atlantic Basin, Brazil, to desertification using the Mediterranean Desertification and Land Use (MEDALUS) model and Google Earth Engine (GEE). The model is composed of four environmental Quality Indices (QIs) associated with soil (SQI), vegetation (VQI), climate (CQI) and management (MQI), and contains factors influencing the desertification process. Digital databases of the factors were pre-processed and uploaded to GEE for analysis. We report Environmentally Sensitive Areas (ESAs) and Environmentally Critical Factors (ECF) maps of the East Atlantic Basin, which showed that most of the basin is in either critical (49.4%) or fragile (35.7%) state of sensitivity. In contrast, only a smaller portion of the area is unaffected (5%) or potentially affected (10.1%). Sensitivity to desertification was inversely correlated with the presence of vigorous vegetation. A joint analysis of ESAs and ECF shed light on the importance of each factor in the sensitivity to desertification. The East Atlantic Basin shows a high degree of sensitivity to desertification, thereby demanding more attention and establishment of measures to mitigate the negative impacts of the desertification process.

Many factors drive land desertification, especially in arid and semi-arid regions. However, the numerous driving factors of desertification make analyses computer expensive. Cloud computing comes along to address this problem, especially in developing countries. The objective of this work was to assess the sensitivity of the East Atlantic Basin, Brazil, to desertification using the Mediterranean Desertification and Land Use (MEDALUS) model and Google Earth Engine (GEE). The model is composed of four environmental Quality Indices (QIs) associated with soil (SQI), vegetation (VQI), climate (CQI) and management (MQI), and contains factors influencing the desertification process. Digital databases of the factors were pre-processed and uploaded to GEE for analysis. We report Environmentally Sensitive Areas (ESAs) and Environmentally Critical Factors (ECF) maps of the East Atlantic Basin, which showed that most of the basin is in either critical (49.4%) or fragile (35.7%) state of sensitivity. In contrast, only a smaller portion of the area is unaffected (5%) or potentially affected (10.1%). Sensitivity to desertification was inversely correlated with the presence of vigorous vegetation. A joint analysis of ESAs and ECF shed light on the importance of each factor in the sensitivity to desertification. The East Atlantic Basin shows a high degree of sensitivity to desertification, thereby demanding more attention and establishment of measures to mitigate the negative impacts of the desertification process.

This document serves as supplemental information to Shapero et al. (2023), which is itself a comment on Nowell et al. (2022). Environmental Health Perspective’s publishing standards for article comments have strict word counts and do not allow the addition of new primary data analyses; therefore, this document provides an additional level of detail and supporting analyses that serve as an important backup to and expansion of Shapero et al. (2023) and that also respond to some comments within the author’s reply to our comments (Holmes and Nowell, 2023). Nowell et al. (2022) evaluated potential PM_2.5 community impacts from sugarcane harvesting. However, their analysis is flawed by erroneous assumptions and misapplied technical approaches, as discussed in Shapero et al. (2023) and as detailed in this supplemental information document. Additionally, the authors ended their analysis with 2018 data, but later data shows no marginal increase in PM_2.5 during sugarcane harvest following 2019 even using the authors’ approach (Holmes and Nowell, 2023). Therefore, the authors’ evaluations have no relevance to current conditions. Nonetheless, even their evaluation and conclusions regarding PM_2.5 concentrations purportedly attributable to sugarcane harvesting prior to 2019 are unsupported and technically unsound as detailed below.

The optimized design of catalyst layer (CL) plays a vital role to improve the performance of polymer electrolyte membrane fuel cells (PEMFCs). The need to improve transport and catalyst activity is especially important at low Pt loading, where local oxygen and ionic transport resistances decrease the performance due to an inevitable reduction of active catalyst sites. In this work, local oxygen and ionic transport are analyzed using direct numerical simulation on virtually reconstructed microstructures. Four morphologies are examined: (i) heterogeneous, (ii) uniform, (iii) uniform vertically-aligned, and (iv) meso-porous ionomer distributions. The results show that the local oxygen transport resistance can be significantly reduced, while maintaining good ionic conductivity, through the design of high porosity CLs (ε≃0.6−0.7) with low agglomerated ionomer morphologies. Ionomer coalescence into thick films can be effectively mitigated by increasing the uniformity of thin films and reducing the tortuosity of ionomer distribution (e.g., good ionomer interconnection in supports with a vertical arrangement). The local oxygen resistance can be further decreased by the use of blended ionomers with enhanced oxygen permeability and meso-porous ionomers with oxygen transport routes in both water and ionomer. In summary, achieving high performance at low Pt loading in next-generation CLs must be accomplished through a combination of high porosity, uniform and low tortuosity ionomer distribution, and oxygen transport through activated water.

Electrochemical sensors have been used for many decades. Yet, modeling of such sensors used in electrolysis mode is poorly documented, especially in the case parallel action of multiple gases. Those ones are of great interest since they constitute the first brick to bring information on natures and concentrations of a gaseous mixture composition thanks to grey box modeling of sensors array for example. Based on Butler Volmer’s equations, a model assuming parallel reactions at gold cathode has been introduced in this article and confronted to experimental results. Establishment of the model is based on the extraction of 3 variables: the charge transfer coefficient “α”, the reaction order γ, and the reaction constant rate k0. Tests performed without pollutants and with different concentrations of oxygen could be nicely fitted by the model. Then, the influence of polarization current on the 3 variables of the model has been evaluated showing a clear influence on the constant rate and the reaction order. Also, increasing the polarization current enabled us to get selectivity to oxidant gases. Similarly, the effect of the oxygen concentration was evaluated. Results showed that, in this case, the charge transfer coefficients “α” obtained for oxidant gases is quite different that the ones obtained in the polarization current varying conditions. Therefore, the model will be interesting in situations where polarization current and oxygen content are not varied together. Variation of polarization current can be quite interesting to get increased information for multivariate analysis purpose in constant oxygen content situations. Besides, other parameters have are required for applications in which the oxygen content is bound to change like exhaust gases or combustion.

Humans may be exposed to microbial pathogens at recreational beaches via environmental sources, such as water, sand, and aerosols. Although infectious disease risk from exposure to waterborne pathogens has been an active area of research for decades, sand is a relatively unexplored reservoir of pathogens and fecal indicator bacteria (FIB). Beach sand and water habitats provide unique advantages and challenges to pathogen introduction, growth, and persistence, as well as continuous exchange between habitats. Models of FIB and pathogen fate and transport in sandy beach habitats can help predict the risk of infectious disease from recreational water use, but filling knowledge gaps such as decay rates and potential for microbial growth in beach habitats is necessary for accurate modeling. Climatic variability, whether natural or anthropogenically-induced, adds complexity to predictive modeling, but may increase human exposure to waterborne pathogens via extreme weather events, warming of water bodies and sea level rise in many regions. The popularity of human recreational beach activities, combined with predicted climate change scenarios, could amplify the risk of human exposure to pathogens and related illnesses. Other global change trends such as increased population growth and urbanization are expected to exacerbate contamination events and the predicted impacts of increasing levels of waterborne pathogens on human health. Such changes will alter microbial population dynamics in beach habitats, and will consequently affect the assumptions and relationships used in population models and quantitative microbial risk assessment (QMRA). Here, we discuss the literature on microbial population and transport dynamics in sand-water continuum habitats at beaches, how these dynamics can be modeled, and how climate change and other anthropogenic influences (e.g., land use, urbanization) should be considered when using and developing more holistic, beachshed-based models.

A typhoon-induced storm surge is considered one of the most severe coastal disasters in Taiwan. However, the combination of the storm surge and the astronomical tide called the storm tide can actually cause extreme flooding in coastal areas. This study implemented a two-dimensional hydrodynamic model to account for the interaction between tides and storm surges on the coast of Taiwan. The model was validated with observed water levels at Sauo Fish Port, Hualien Port, and Chenggong Fish Port under different historical typhoon events. The model results are in reasonable agreement with the measured data. The validated model was then used to evaluate the effects of the typhoon's intensity, bathymetric change, and the combination of the typhoon’s intensity and bathymetric change on the maximum storm tide and its distribution along the east coast of Taiwan. The results indicated that the maximum storm tide rises to 1.92 m under a typhoon with an intensity of a 100-year return period. The maximum storm tide increased from a baseline of 1.26 m to 2.63 m for a 90% bathymetric rise at Sauo Fish Port under the conditions of Typhoon Jangmi (2008). The combination of the intensity of a typhoon with a 100-year return period and a 90% bathymetric rise will result in a maximum storm tide exceeding 4 m, 2 m, and 3 m at Sauo Fish Port, Hualien Port, and Chenggong Fish Port, respectively. We also found that the distribution of the maximum storm tide on the east coast of Taiwan can expand significantly subject to the bathymetric rise.

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.

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

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.

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 voluntary geographic information generated by tourists sharing their topophilic ties through DSN, the present analysis aims to evaluate the contribution of modern techniques of spatial analysis applied to tourism in the “Alta and University of Coimbra” area. Concepts and procedural tasks related to density determination, cluster analysis and identification of patterns associated with regionalized variables have thus been implemented with the purpose of evaluating and comparing the results obtained through the application of two techniques of spatial analysis, Kernel Density Estimation (KDE) and Optimized Hot-Spot Analysis (OHSA) & Inverse Distance Weighting (IDW) Interpolation.

The State of Kuwait seeks sustainable development through implementation of clear and specific urban plans, some of which suffer from a severe lack of geomorphological and spatially-based environmental planning, such as the use of geographic information systems (GIS). Choosing the optimal location for a city based on sound environmental 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, in particular, offers great potential for the environmental planner and decision-maker to choose the most appropriate places for the cities of the future, especially when coupled with geomorphological analyses. To achieve the Vision of Kuwait 2035, one of the State’s planning objectives focuses on Urban Planning for the Establishment of Environmental Cities that Achieve (UPEECA) environmental sustainability criteria. To gain a more holistic analysis related to the Vision, 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)

Mathematical modeling is the most important tool for constructing the theory of different kinds of two-phase flows. The review is devoted to the analysis of the advent of the approach of mathematical modeling of two-phase flows, where solid particles act mainly as the dispersed phase. The main problems and features of the study of gas-solid two-phase flows are excluded. The main characteristics of gas flows with solid particles are given and the classification of two-phase flows is developed on their basis. The Lagrangian and Euler approaches to modeling the motion of a dispersed phase (particles) are described. Much attention is paid to the consideration of numerical simulation methods that describe descriptions of turbulent gas flow at different hierarchical levels (RANS, LES, DNS), different levels of description of interphase interactions (one-way coupling (OWC), two-way coupling (TWC) and four-way coupling (FWC)), as well as at different levels of interface resolution (partial-point (PP) and particle-resolved (PR)). Excluded are examples of some studies carried out on the basis of the identified approaches, as well as their exclusion for mathematical modeling of various classes of gas-solid two-phase flows.

This study applies several natural language processing techniques for characterizing social groups by analyzing published text in social media. The resulting computed values are proposed as features for modeling social groups and measure distances or similarities among them, along further data that could help understanding group behavior according to language usage. In this study, we have analyzed the messages published on Twitter regarding patriotism by the main political parties in Spain. The results show that lexical resources and topic modelling algorithms are useful to model different groups and serve as comparison tools to better understand the topics these groups are talking about.

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

Background: Tourism is one of the prominent industry that has a capability to generate handsome income for developed as well as developing countries. However, the study to investigate specifically the perception of local residents towards tourism is still lacking. The perception of the locals is important since it could determine the extent of their support for tourism development. Plus, previous research found that male residents are more support better towards the tourism development. Thus, this factor is adapted as well in this study to examine whether this gender may influence to the tourism industry. 2) Methods: This study used Structural Equation Modeling (SEM) technique for determining the structural estimates between constructs. 3) Results: The respondents agree that positive perception, negative perception and tourism impact has a significant impact on support for tourism development in which has been recognized as Social Exchange Theory model. Moreover, the finding also revealed that gender has a potential to moderates the causal effect of tourism impact on tourism development. 4) Conclusion: The resident understand the tourism sector could strengthen economic nation but they also want the natural resources should be protected.

Dietary factors are one of the risk factors that can impact the brain chemistry, which leads to mental distress. Based on our data mining approach, we found that mental distress in men is associated with eating unhealthy food. Our aim in this paper is to apply results from our big data analytics approach to inform system dynamics (SD) modeling to investigate the causal relationships between brain structures, nutrients from food and dietary supplements, and mental health. We perform descriptive analysis based on a large data set to estimate the SD modeling parameters. Finally, we calibrate the model towards a time series data collected for individuals on their dietary and distress patterns. The results reveal that bridging these different methodologies leads to further insights from the SD model and decreases the error of calibrated parameter values. Future research is needed to validate our initial results for investigating the relationship between mental distress and dietary intake.

Yearly, 1,500,000 cases of leishmaniasis are diagnosed, causing thousands of deaths. To advance in its therapy, we present an interdisciplinary protocol that unifies ethnobotanical knowledge of natural compounds and the latest bioinformatics advances to respond to an orphan disease such as leishmaniasis and specifically the one caused by Leishmania amazonensis. The use of ethnobotanical information serves as a basis for the development of new drugs, a field in which computer-aided drug design (CADD) has been a revolution. Taking this information from Amazonian communities, located in the area with the highest prevalence of this disease, a protocol has been designed to verify new leads. Moreover, a method has been developed that allows the evaluation of lead molecules, and the improvement of their affinity and specificity against therapeutic targets. Through this approach, deguelin has been identified as a good lead to treat the infection due to its potential as an ornithine decarboxylase (ODC) inhibitor, a key enzyme in Leishmania development. Using an in silico-generated combinatorial library followed by docking approaches, we have found deguelin derivatives with better affinity and specificity against ODC than the original compound, suggesting that this approach could be adapted for developing new drugs against leishmaniasis.

The emergence of the COVID-19 outbreak has caused a pandemic situation in over 210 countries. Controlling the spread of this disease has proven difficult despite several resources employed. Millions of hospitalization and deaths have been observed, and thousands of cases daily with many measures in place. Due to the complex nature of COVID-19, we proposed a system of time-fractional equations to understand the transmission of the disease better. Nonlocality involved in the model has made fractional differential equations appropriate for modeling the behavior. However, solving these types of models is computationally demanding. Our proposed generalized compartmental COVID-19 model incorporates effective contact rate, transition rate (from exposed quarantine and recovered to susceptible and infected quarantined individuals), quarantine rate, disease-induced death rate, natural death rate, natural recovery rate, recovery rate of quarantine infected for a holistic study of the coronavirus disease. A detailed analysis of the proposed model is carried out, including the existence and uniqueness of solutions, local and global stability analysis of the disease-free equilibrium analysis, and sensitivity analysis. Furthermore, numerical solutions of the proposed model are obtained with the generalized Adam-Bashforth-Moulton method developed for the fractional order model. Our analysis and solutions profile show that each of these incorporated parameters is very important in controlling the spread of COVID-19, especially quarantining exposed and infected individuals and the effective contact rate. Based on the results with different fractional order, we observe that there seems to be a third or even fourth wave of the spike in cases of COVID-19, which is what is happening right now in many countries.

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

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.

In the context of post-harvest pest management in agricultural products, the adoption of modified atmospheres presents an eco-friendly alternative to conventional pesticides. This study focuses on nitrogen gas as a potential agent for insect control in stored commodities, utilizing computational simulations to investigate its penetration and distribution within two common storage configurations: chamber-contained pallets and silos. By employing the convection-diffusion equation, the simulations reveal insights into nitrogen distribution dynamics and duration required for oxygen reduction. The results highlight the influence of boundary conditions, commodity porosity, and convection effects on nitrogen dispersion. In chamber scenarios, boundary condition type significantly affects oxygen reduction time, while in silos, convection and diffusion interact to establish a consistent diffusion layer thickness. This research enhances the understanding of modified atmosphere techniques and their potential for sustainable pest management. It provides practitioners with valuable quantitative insights, paving the way for optimized modified atmosphere strategies in real-world agricultural contexts.

This paper presents the behavior of decision makers, the possible choices and the strategies 1 resulting from the uncertainties related to the integration of renewable energies. Its uncertainties 2 are the risks associated with the volatility of renewable sources, the dynamics of energy production 3 as well as the planning and operation of the electricity grid. The goal is to model the risk-averse 4 decision-maker’s behavior and the choice of integrating renewable energies into the electrical system. 5 Following a bibliographic approach, we expose a methodology to model the decision-maker’s 6 behavior(risk aversion and predilection for risk) to risk taking. The risk-averse decision maker may 7 adopt nonlinear utility functions. Risk aversion is a behavior that reflects the desire to avoid risk 8 decisions and thus reduces the risk of adverse consequences. A decision support tool is provided to 9 the decision-maker to choose a best-fit strategy based on his preferences. The rational and risk-averse 10 decision-maker would seek to maximize a concave utility function instead of seeking to minimize its 11 cost. Taste or aversion to risk can be modeled by a thematic function of utility.

In this study, I extend the Fama and French five-factor asset pricing model with a sixth factor, namely, carbon risk, to investigate its impact on equity returns. To measure carbon risk, a new factor ‘pollutant minus green,’ is developed using the difference between the weighted average returns of pollutant and green firms across 51 developed and emerging countries across four categories—North America, Europe, Emerging Markets, and the Asia Pacific. The results reveal that North America, Europe, and Asia Pacific markets have a carbon risk premium that gets eliminated in small-cap firms. The carbon risk factor is further tested in left-hand side (LHS) test asset portfolios and found to be more pronounced with size-effect anomaly; specifically, small stock firms report greater declining average returns because of more exposure than the mega-cap stocks to carbon dioxide emissions. Furthermore, size-effect anomaly prevails with profitability and investment factors across firms. Therefore, high profitability, as well as high investment small firms, show a greater decline than the big stock firms in average returns when their carbon dioxide emissions increase. The asset pricing model evaluation is carried out through the Gibbons, Ross, and Shanken test. The six-factor model directed at capturing carbon risk patterns in average equity returns performs better than the three-factor and five-factor models of Fama and French (1993 and 2015) in the majority of categories under 3x3 sorting and compete with both Fama and French model under 2x4x4 sorted LHS portfolios. The finding of this study offers various useful applications for investors, policymakers, brokers, corporations, governmental pollution abatement institutions, and other stakeholders who wish to obtain carbon risk premium.

The reinforcement learning problem of complex action control in the Multi-player wargame is a hot research topic in recent years. In this paper , a game system based on turn-based confrontation is designed and implemented with the state-of-the-art deep reinforcement learning models. Specifically, we first design a Q-learning algorithm to achieve intelligent decision-making, which is based the DQN(Deep Q Network) to model the complex game behaviors. Then, a priori- knowledge based algorithm PK-DQN(Prior Knowledge- Deep Q Network) is introduced to improve the DQN algorithm, which accelerates the convergence speed and stability of the algorithm. The experiments demonstrate, the correctness of the PK-DQN algorithm is validated and its performance surpass the conventional DQN algorithm. Furthermore, the PK-DQN algorithm shows effectiveness in defeating the high level of rule-based opponents, which provides promising results for the exploration of the field of smart chess and intelligent game deduction.

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.

The Cantareira Water Producer System (CWPS), which supplies water to the most populous Brazilian region, Metropolitan Region of São Paulo (MRSP), faces significant challenges due to climate change, threatening its water security. Climate change affects the hydrological cycle affecting water availability. The CWPS is vulnerable to periods of scarcity and instability due to increased climatic variability and increasing water consumption. Current water resource management systems do not consider the impacts of climate change, making it difficult to ensure water security in the future. This study analyzes the impact of climate change on the availability of CWPS using hydrological modeling approach with forecast precipitation data by CMIP6 and assessment of existing systems. The finds will provide a comprehensive understanding of the challenges faced by CWPS in the context of climate change, as well as support strategies and adaptive measures to ensure water security for MRSP.

The kinetics and efficacy profiles of photoinitiated polymerization are theoretically presented. For the same dose, lower light intensity achieves a higher steady-state-efficacy (SSE) in type-I; in contrast, type-II has an equal SSE. Higher light intensity has a faster rising efficacy, due to faster depletion of photoinitiator (PS) concentration. However, type-II process is also affected by the available oxygen. Higher light intensity produces more efficient singlet oxygen, resulting a higher transient efficacy, in which all intensities reach the same SSE when oxygen is completely depleted. With external oxygen, type-II efficacy increases with time, otherwise, it is governed only by the light dose, i.e., same dose achieves same efficacy. Moreover, type-II has an efficacy follows Bunsen Roscoe law (BRL), whereas type-I follows non-BRL. The measured type-I efficacy and gelation profile are analyzed by our analytic formulas. Schematics of the photocrosslinking stage defined by the availability of oxygen is developed, where both type-I and –II coexist until the oxygen is depleted. The overall efficacy may be enhanced by resupply of PS or oxygen during the light exposure. The roles of light dose and PS concentration on the efficacy of photoinitiated polymerization should be are governed a new concept of a volume efficacy (Ve), defined by the product of the crosslink (or gelation) depth (CD) and local [efficacy].

The thermal lubrication of an entangled polymeric liquid in wall-driven shear flows between parallel plates is investigated by using a multiscale hybrid method coupling molecular dynamics and the hydrodynamics (i.e., the synchronized molecular dynamics method). The temperature of the polymeric liquid rapidly increases due to viscous heating once the drive force exceeds a certain threshold value. The rheological properties of the polymeric liquid drastically change at around the critical drive force. In the weak viscous-heating regime, the conformation of polymer chains is dominated by the local shear flow so that the anisotropy of the bond orientation tensor grows as the drive force increases. However, in the large viscous-heating regime, the conformation dynamics is dominated by the thermal agitation of polymer chains so that the bond orientation tensor recovers more uniform and random structures as the drive force increases, even though the local shear flows are further enhanced. Remarkably, these counter-intuitive transitional behaviors give an interesting re-entrant transition in the stress--optical relation, where a linear formalism in the stress--optical relation approximately holds even though each of the macroscopic quantities behaves nonlinearly. The robustness of the linear stress--optical relation is also confirmed in the spatiotemporal evolution at the hydrodynamic level.

The evaluation of geometric defects is necessary in order to maintain the integrity of structures over time. These assessments are designed to detect damages of structures and ideally help inspectors to estimate the remaining life of structures. Current methodologies for monitoring structural systems, while providing useful information about the current state of a structure, are limited in the monitoring of defects over time and in linking them to predictive simulation. This paper presents a new approach to the predictive modeling of geometric defects. A combination of segmented from point clouds are parametrized using the convex hull algorithm to extract features from detected defects, and a stochastic dynamic model is then adapted to these features to model the evolution of the hull over time. Describing a defect in terms of its parameterized hull enables consistent temporal tracking for predictive purposes, while implicitly reducing data dimensionality and complexity as well. In this study, 2D point clouds analogous to information derived from point clouds were first generated over simulated life-cycles. The evolutions of point cloud hull parameterizations were modeled as stochastic dynamical processes via autoregressive integrated moving average (ARIMA) and vectorized autoregression (VAR) and compared against ground truth. The results indicate that this convex hull approach provides consistent and accurate representations of defect evolution across a range of defect topologies and is reasonably robust to noisy measurements, however assumptions regarding the underlying dynamical process play a significant the role in predictive accuracy. The results were then validated on experimental data from fatigue testing with high accuracy. Longer term, the results of this work will support finite element model updating for predictive analysis of structural capacity.

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

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

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

This study aimed at the investigation of the effect of substrate preheating on residual stress in laser powder bed fusion using a physics-based analytical model. In this study, an analytical model is proposed to predict the residual stress through the calculation of preheating affected temperature profile and thermal stress. The effect of preheating is super-positioned with initial temperature in the modeling of temperature profile using a moving heat source approach; the resultant temperature gradient is then employed to predict the thermal stress from a point body load approach. If the thermal stress exceeds the yield strength of the material, then the residual stress under cyclic heating and cooling will be calculated based on the incremental plasticity and kinematic hardening behavior of metal. IN718 is used as a material example to pursue this investigation. To validate the predicted residual stress, experimental measurements are conducted using X-ray diffraction on IN718 samples manufactured via laser powder bed fusion under different process conditions. Results showed that preheating of the substrate could reduce the residual stress in an additively manufactured part due to the reduction in temperature gradient and resultant shrinkage stresses. However, the excessive preheating could have an opposite impact on residual stress accumulation. Moreover, the results confirm that the proposed model is a valuable tool for the prediction of residual stress- eliminating the costly experiments and time-consuming finite element simulations.

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

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

Boiler efficiency is called to some extent of total thermal energy which can be recovered from the fuel. Boiler efficiency losses are due to four major factors: the dry gas flux, the latent heat of steam in the flue gas, the combustion loss or the loss of unburned fuel, radiation and convection losses. In this research, the thermal behavior of boilers in gas refinery facilities is studied and their efficiency and their losses are calculated. The main part of this research is comprised of analyzing the effect of various parameters on efficiency such as excess air, fuel moisture, air humidity, fuel and air temperature, the temperature of combustion gases, and thermal value of the fuel. Based on the obtained results, it is possible to analyze and make recommendations for optimizing boilers in the gas refinery complex using response-surface method (RSM).

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

Urbanization triggers the emergence of slums in urban areas. Palembang is one of the Indonesian cities with slum settlements. This research aimed to analyze the interpolation of slum positions in Palembang and their distribution pattern using kernel density analysis and by modeling spatial data on accuracy values. It employed a quantitative method with a survey approach. Samples were selected using proportional random sampling from families in 64 slum areas across the 13 districts in the city, and their positions were recorded with a GPS device and then processed and mapped in ArcGIS. The data were analyzed with inverse distance weighted, kernel density, and spatial data modeling. Results showed that slum areas near the riverbanks had high population density, while those located further were lower. The values obtained from the kernel density analysis varied from 0 to 58.1123, while the inverse distance weighted showed a value range of 2.26745–380.991. The spatial data modelling analysis demonstrated that the distribution of slum areas was widely spread along the Musi River, with an accuracy value of 96.8%, which falls within the range of >0.9-1.

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.

Breast cancer (BC) is a heterogeneous disease representing a substantial economic burden. In order to develop policies that successfully decrease this burden, the factors affecting costs need to be fully understood. Evidence suggests that early detection in Stage I has a lower cost than late detection. We aim to provide conservative estimates of BC's stage-wise medical costs from German healthcare and the payer's perspective. To this end, we conducted a literature review of articles evaluating stage-wise costs of BC in Germany through PubMed, Web of Science, and Econ Lit databases supplemented by Google Scholar. We developed a decision tree model to estimate BC related medical costs in Germany using available treatment and cost information. The review generated seven studies; none estimated the stage-wise costs of BC. The studies were classified into two groups: (1) case scenarios (five studies) and two studies based on administrative data. The first sickness funds data study (Gruber, Stock, et al. 2012) used 1999 information to approach BC attributable cost; their results suggest a range between €3,929 and €11,787 depending on age. The second study (Kreis, Plöthner, et al. 2020) used 2011-2014 data and suggested an initial phase incremental cost of €21,499, an intermediate phase cost of €2,620, and a terminal phase cost of €34,513 per incident case. Our decision tree model based BC stage-wise cost estimates were €21,523 for Stage I, €25,679 for Stage II, €30,156 for Stage III, €42,086 for Stage IV. Alternatively, the modeled cost estimates are €20,284 for the initial phase of care, €851 for the intermediate phase of care, and €34,963 for the terminal phase of care. Our estimates for phases of care are consistent with recent German estimates provided by Kreis and Plöthner et al. Furthermore, the data collected by sickness funds are collected primarily for reimbursement purposes, where the German ICD-10 classification system defines a cancer diagnosis. As a result, claims data lack the clinical information necessary to understand stage-wise BC costs. Our model-based estimates fill the gap and inform future economic evaluations of BC interventions.

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

The grinding process by friction at the micro-scale in a mill with stones is considered a variable combination of contacts: with two-body (the asperities of lower millstone in direct contact with the asperities of upper millstone) and the three-body (micro-particles of ground seeds trapped between the asperities of lower and the upper stones of the mill). Three elements are described: (1) the mechanic contact of the asperities of the lower and upper millstone, to predict pressures on asperities, by modeling; (2) tests on a millstone sample covered with grinding particles, and (3) tests on a wafer sample formed by the millstones with the grinding particles between them. The paper highlights the combined effects of the micro-scale friction by individual measurements and to sum these effects an analytical model was used, and to validate the model, several experiments were performed. A suitable grind by friction assumes the grain’s movement and the interaction between the seeds and solid surfaces and is highlighted through theoretical and experimental studies. Topography analysis of the surface of the millstones revealed the model of microscopic frictional force. Endpoint measurements (the traces of the surface topography evolution), enable model verification in the grinding process.

Diffuse intrinsic pontine glioma (DIPG), affecting children aged 4-7 years, is a rare, aggressive tumor that originates in the pons and then spreads to nearby tissue. DIPG is the leading cause of death for pediatric brain tumors due to its infiltrative nature and inoperability. Radiotherapy has only a palliative effect in stabilizing symptoms. In silico and preclinical studies identified ONC201, as a cytotoxic agent against some human cancer cell lines, including DIPG ones. Single crystal X-ray analysis of the complex of the human mitochondrial caseinolytic serine protease type C (hClpP) and ONC201 (PDB ID: 6DL7) allowed to identify hClpP as its main target. Hyperactivation of hClpP causes damage to mitochondrial oxidative phosphorylation and cell death. In some DIPG patients, receiving ONC201, an acquired resistance was observed. In this context, a wide program was initiated to discover original scaffolds for new hClpP activators to treat ONC201-non-responding patients. Harmaline, a small molecule belonging to the chemical class of β -carboline, was identified through Fingerprints for Ligands and Proteins (FLAP), a structure-based Virtual Screening approach. Molecular dynamics simulations and a deep in vitro investigation showed interesting information on the interaction and activation of hClpP by harmaline.

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

: Extra- and intra-cellular activity occurs under the direction of numerous inter-molecular interactions, and in any tissue or cell, molecules are densely packed, thus promoting those molecular interactions. Galectins and chemokines, the focus of this review, are small, protein effector molecules that mediate various cellular functions, in particular cell adhesion and migration, as well as cell signaling/activation. In the past, researchers have reported that combinations of these (and other) effector molecules act separately, yet sometimes in concert, but nevertheless physically apart and via their individual cell receptors. This view that each effector molecule functions independently of the other limits our thinking about functional versatility and cooperation, and, in turn, ignores the prospect of physiologically important inter-molecular interactions, especially when both molecules are present or co-expressed in the same cellular environment. This review is focused on such protein-protein interactions with chemokines and galectins, their homo- and hetero-oligomeric structures that they can form, and the functional consequences of those paired interactions.

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.

Understanding influences of multiple stressors across the landscape on aquatic biota is important for conservation, as it allows for an understanding of spatial patterns and informs stakeholders of significant conservation value. Data exists for land use/landcover (LULC) and other physicochemical components of the landscape throughout the Appalachian region yet biological data is sparse. This dearth of biological data relative to LULC and physicochemical data creates difficulties in making informed management and conservation decisions across large landscapes. At the HUC12 watershed scale we sought to create a single score for both abiotic and biotic values throughout the central and southern Appalachian region. We used boosted regression trees (BRT) to model biological responses (fish and aquatic macroinvertebrate variables) to abiotic variables. Variance explained by BRT models ranged from 62-94%. We categorized both predictor and response variables into themes and targets respectively to better understand large scale patterns on the landscape that influence biological condition of streams. We combined predicted values for a suite of response variables from BRT models to create a single watershed score for aquatic macroinvertebrates and fish. Regional models were developed for fish but we were unable to develop regional models for aquatic macroinvertebrates due to the low number of sample sites. There was strong correlation between regional and global watershed scores for fish models but not between fish and aquatic macroinvertebrate models. Use of such multimetric scores can inform managers, NGOs, and private land owners regarding land use practices; thereby contributing to largescale landscape scale conservation efforts.

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.

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

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.

In this study, a multiobjective, multiperiod, global optimization for design, sizing and dispatch of an islanded, hybrid microgrid was performed using a model built in MATLAB. The system was simulated over one year for sizing and over one day for dispatch, both using hourly time steps. The model minimized lifecycle levelized costs, emissions, lost load and dumped power while maximizing penetration of clean, renewable sources in the microgrid. This found optimal capacities of the renewable, energy storage and backup generation components which provide the best combination of affordability, sustainability, reliability and efficiency. After experimenting with several global solvers, it was determined that particle swarm optimization is most well-suited to solving the sizing optimization problem. The PV-wind microgrid using Li-ion batteries along with diesel engines was found to perform best among all the combinations considered. It was found that in spite of including additional objectives, monetary costs are the primary driver while allocating generation capacity between different renewable sources like wind versus solar PV. Furthermore, the sizing of PV, wind and battery storage depends strongly on the rating of the standby distributed generator, mainly due to reliability consideration. Generating Pareto-optimal sets revealed interesting relationships between different input variables (i.e. PV, wind and battery capacities) as well as trade-offs that arise while pursuing different objectives. Pursuing cost-minimization alone may lead to sub-optimal outcomes in terms of environmental impact, reliability and excess energy production. A sensitivity analysis was also conducted to understand the effects of various parameters like fuel price and energy storage costs on the optimal system's design and operation. Such accurate sizing programs help reduce the extent of oversizing of sub-systems during the design and planning stage, which is usually needed to achieve high reliability with distributed and decentralized energy systems like off-grid microgrids. This reduces the upfront capital investment needed to build the system, making clean electricity access affordable in the short term. The economic-environmental dispatch produced day-ahead scheduling strategies to meet the above mentioned objectives. The system was found to be relatively robust to short-term uncertainties and disturbances in renewable generation and load, although this does cause sub-optimal performance due to increased reliance on fossil fuels. It was found that dispatching of the batteries and backup generators is most critical in minimizing impacts of such events. However, the response to longer-term disturbances still remains to be assessed. The study also includes a comprehensive literature review of tools available for microgrid design as well as different optimization algorithms that have been used to solve microgrid sizing, dispatch and scheduling problems. Additionally, an overview is provided of various control strategies that can be used to improve robustness and resiliency of microgrids.

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

This study was conducted generally by aiming assessment of the hydraulic performance of water distribution systems of Addis Ababa Science and Technology University (AASTU). In line with the main objective, this study addressed, (1) pinpointing problems of existing water supply versus demand deficit (2) evaluating the hydraulic performance of water distribution system using water GEMS and (3) recommended alternative methods for improving water demand scenarios. The University’s water supply distribution network layout was a looped system and the flow of water derived by both gravity and pressurized system. The gravity flow served for the academic and administrative staffs whereas the pressurized system of the network fed the students dormitories, cafeteria’s etc. The study revealed the existence of unmet minimum pressure requirement around the student dormitories which accounts 25.64% below the country’s building code standard during the peak hour consumption. The result of the water demand projection showed an increment of 2.5 liter per capita demand (LPCD) in every five years. Hence, first, the university’s water demand was projected and then hydraulic parameters such as; pressure, head loss and velocity were modeled for both the existing and the improved water supply distribution. The finding of the study was recommended to the university’s water supply project and institutional development offices for its future modification and rehabilitation works.

This paper shows the development of a numerical analysis model, which enables the calculation of the cargo transport capacity of a vehicle that circulates through a vacuum tube at high speed, whose effectiveness in transport is analyzed. The simulated transportation system is based on vehicles moving in vacuum tubes at high speed, a concept commonly known as Hyperloop, but assuming the vehicles for cargo containers. For the specific vehicle proposed, which does not include a compressor and levitates on magnets, the system formed by the vehicle and the vacuum tube has been conceptually developed, establishing the corresponding mathematical relationships that define its behavior. To properly model the performance of this transport system, it has been necessary to establish the relationships between the design variables and the associated constraints, such as the Kantrowitz limit, aerodynamics, transport, energy consumption, etc. Once the model was built and validated, it was used to analyze the effects of the variation of the number of containers, the operating speed and the tube length, considering the total and specific consumption of energy. Once the most efficient configuration was found regarding energy consumption and transport effectiveness, the complete system was calculated. The results obtained constitute a first approximation for the pre-design of this transport system and the built model allows different alternatives to be compared according to the design variables.

In the context of climate change in West Africa characterized by a reduction of precipitation, this study was conducted to evaluate the impact of climate change on water resources from now to the end of the 21st century in the transboundary watershed of the Sassandra River shared by Guinea and Côte d’Ivoire. Historical and future climate (Representative Concentration Pathways or RCPs 4.5 and 8.5 scenarios) data were projected with the model. The Abdus Salam ICTP RegCM4 was used. The hydrological modeling of the river basin was carried out with the conceptual hydrological model, GR2M. This model is a monthly time steps model that allows the assessment of the discharge of the Sassandra River for each climate scenario according to the 2030 (2021–2040), 2050 (2041–2060), 2070 (2061–2080), and 2090 (2081–2100) horizons. The results showed a reduction of the annual discharge when compared to the baseline (1961–1980). For the RCP 4.5, the observed values went from –1.2% in 2030 to –2.3% in 2070 and rose to –2.1% in 2090. Concerning the RCP 8.5, we saw a variation from –4.2% to –7.9% in the 2030 and 2090 horizons, respectively. With the general decrease of rainfall in West Africa, it is appropriate to assess the impact on water resources on the largest rivers (Niger, Gambia, and Senegal) that irrigate the Sahelo-Saharian zone.

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

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

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.

It is challenging to apply heat flow through a thermal bridge, which requires the analysis of 2D or 3D heat transfer to building energy simulation(BES). Research on the dynamic analysis of thermal bridges has been underway for many years, but their utilization remains low in BESs. This paper proposes a thermal bridge modeling and a dynamic analysis method that can be easily applied to BESs. The main idea begins with an analogy of the steady-state analysis of thermal bridges. As with steady-state analysis, the proposed method first divides the thermal bridge into a clear wall, where the heat flow is uniform, and the sections that are not the clear wall (the thermal bridge part). For the clear wall part, the method used in existing BESs is applied and analyzed. The thermal bridge part (TB part) is modeled with the linear time-invariant system (LTI system) and the system identification process is performed to find the transfer function. Then, the heat flow is obtained via a linear combination of the two parts. This method is validated by comparing the step, sinusoidal and annual outdoor temperature response of the finite differential method(FDM) simulation. When the thermal bridge was modeled as a third-order model, the root mean square error(RMSE) of annual heat flow with the FDM solution of heat flow through the entire wall was about 0.1W.

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

Activated sludge process is a well known method to treat municipal and industrial waste water. In this complex process, the oxygen concentration in the reactors plays a critical role in the plant efficiency. This paper proposes the use of a Long Short-Term Memory (LSTM) network to identify an input-output model suitable for the design of an oxygen concentration controller. The model is identified from easy-accessible measures collected from a real plant. This dataset covers almost a month. The performances achieved with the proposed LSTM model are compared with the ones obtained with a standard AutoRegressive model with eXogenous input (ARX). Both models catch the oscillation and the overall behaviour (ARX ρ=0.833 , LSTM ρ=0.921), but, while the ARX model fails in reaching the correct amplitude (FIT=41.20%), the LSTM presents satisfactory performance (FIT=60.56%).

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

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

Micro-pollutants such as 17β-Estradiol (E2) have been detected in different water resources and their negative effects on the environment and organisms have been observed. Aptamers are established as a possible detection tool, but the underlying ligand binding is largely unexplored. In this study, a previously described 35-mer E2-specific aptamer was used to analyse the binding characteristics between E2 and the aptamer with a MD simulation in an aqueous medium. Because there is no 3D structure information available for this aptamer, it was modeled using coarse-grained modeling method. The E2 ligand was positioned inside a potential binding area of the predicted aptamer structure, the complex was used for an 25 ns MD simulation, and the interactions were examined for each time step. We identified E2-specific bases within the interior loop of the aptamer and also demonstrated the influence of frequently underestimated water-mediated hydrogen bonds. The study contributes to the understanding of the behavior of ligands binding with aptamer structure in an aqueous solution. The developed workflow allows generating and examining further appealing ligand-aptamer complexes.