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.

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

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

Projected future sea level rise and marine storminess is a serious threat for beaches as they induce beach flooding and erosion. Among other factors, wave runup play an important role in beach evolution and must be robustly assessed. However, little attention has been paid to the uncertainties associated to its characterization and how do they compare to other sources of uncertainty. As a first step towards this goal, we have quantified the impact of several sources of error in the estimation of wave runup on sandy beaches. Understanding what factors are more influential in the quality of the results will help to determine the main sources of uncertainty in beach flooding projections. To reach that goal, a calibrated state-of-the-art numerical modelling system has been setup for two beaches in the Mallorca islands (NW Mediterranean). The system has been forced with the best available information of nearshore incoming waves and has been validated against observations to define the benchmark quality. To determine the key factors affecting the quality of the system’s results, different systems configurations have been tested with different degrees of complexity.Our results show that using the most sophisticated modelling system with the best information on boundary conditions, bottom bathymetry, and submerged vegetation leads to a swash RMSE comparable to the standard deviation of the observed swash. We have also found that the choice of lateral boundary conditions (i.e., source of information for the incoming waves) can double the RMSE and induce large biases. Our results also show that using a simple empirical approach usually underestimates the wave runup. However, in locations with vegetated seabed there is a compensation error, and the empirical approach can lead to acceptable results if forced by nearshore waves. In addition, we have compared the error estimates obtained with uncertainties associated to projected sea level rise. Our findings suggest that the uncertainty associated with wave runup modelling should be considered in the assessment of the total uncertainty of future beach flooding, since the analysis performed indicates that this uncertainty can account for between 16% to 60% of the uncertainties linked to mean sea level projections.

The non-symmetrical collapse of an empty cylindrical cavity is modelled using Smoothed Particle Hydrodynamics. The presence of a nearby surface produces an anisotropic pressure field generating a high velocity jet that hits the surface. The collapse follows a different dynamic based to the initial distance between the centre of the cavity and the surface. When the distance is greater than the cavity radius (detached cavity) the surface is hit by travelling shock waves. When the distance is less than the cavity radius (attached cavity) the surface is directly hit by the jet and later by other shock waves generated in the last stages of the of the collapse. The results show that the surface is hit by a stronger shock when distance between the centre of the cavity and the surface is zero while showing more complex double peaks behaviour for other distances.

Mortarless refractory masonry structures are widely used in the steel industry for the linings of many high-temperature industrial applications including steel ladle. The design and the optimization of these components require accurate numerical models that consider the presence of joints as well as joints closure and opening due to cyclic heating and cooling. The present work reports on the formulation, numerical implementation, validation, and application of homogenized numerical models for simulation of refractory masonry structures with dry joints. The validated constitutive model has been used to simulate a steel ladle and to analyze its transient thermomechanical behavior during a typical thermal cycle of steel ladle. 3D solution domain, enhanced thermal and mechanical boundary conditions have been used. Parametric studies to investigate the impact of joints thickness on the thermomechanical response of the ladle have been carried out. The results clearly demonstrate that the thermomechanical behavior of mortarless masonry is orthotropic nonlinear due to gradual closure and reopening of joints with the increase and decrease of temperature. Also, resulting thermal stresses increase with the increase of temperature and decrease with the increase of joints thickness.

The question of how many deaths were averted by interventions during the COVID-19 pandemic carries important implications for policies going forward. Given that the interventions of lockdowns and mass vaccination carry acknowledged downsides, it is important to balance these against potential upsides, which were the putative reasons for health officials to implement these policies. Several attempts have been made to quantify the impact of mass vaccination on averted mortality both globally, and in specific countries/regions, using different methodologies. Here, we examine the assumptions of these models and look for areas of improvement, while understanding that simplifications are inherent in model building. We find that several assumptions greatly overstate the degree of averted mortality due to vaccination and perform an empirical analysis of country level data in Europe to test if vaccination was associated with lower excess mortality. We show a positive and statistically significant correlation between number of vaccine doses given and 2022 excess mortality, calling into question estimates of positive averted mortality due to mass vaccination. Our results show several assumptions which work to systematically overstate the level of averted mortality from Covid-19 vaccines. This work aims to improve epidemiological modeling on the impact of vaccination, and to ground the public health response to infectious diseases in robust and rigorous analysis.

Smart cities will undoubtedly be the distinguishing characteristic of human geography in the twenty-first century. Throughout 1.3 million people move to cities every week around the world, and it is estimated that by 2040, cities will house 65 percent of the world's population. While the world's largest cities now contribute for 60% of global GDP, this percentage will continue to climb as cities get larger and smarter. According to experts, cities will account for up to 80% of future economic development in developing regions. Smart cities are no longer the wave of the future; they have here and are rapidly expanding as the Internet of Things (IoT) grows. With dozens of towns throughout the world, the smart city sector is expected to grow into a massive business as time goes on. Cities have been an increasingly crucial engine of the global economy and wealth over time. As a result, it is critical to guarantee that they are optimized to maximize efficiency and sustainability while also ensuring that each citizen's quality of life is improved. We can describe the need for smart cities through this project, and it also shows us how IoT technology and smart city enablers may be deployed in urban settings to help cities perform better for their residents and achieve overall sustainable growth. This initiative will educate urban planners, researchers, ICT professionals, and other city officials about the facilitators of IoT for smart cities and their long-term growth.

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

In Germany, as in many developed countries, over 60% of buildings were constructed before 1978, where most are in critical condition, requiring either demolition with plans for redevelopment or renovation and rehabilitation. Given the urgency of climate action and relevant sustainable development goals set by the United Nations, more attention must be shifted toward the various sustainability aspects when deciding on the strategy for renovation or redevelopment of existing buildings. To this end, this study focused on developing a smart decision support framework for aging buildings based on lifecycle sustainability considerations. The framework integrated digital technological advancements, such as building information modeling (BIM), point clouds processing with field information modeling (FIM)®, and structural optimization, together with life-cycle assessment to evaluate and rate the environmental impact of different solutions. Three sustainability aspects, namely, cost, energy consumption, and carbon emissions, were quantitatively evaluated and compared in two scenarios, namely, renovation, and demolition or deconstruction combined with redevelopment. A real building constructed in 1961 was the subject of the experiments to validate the framework. The result outlined the limitations and advantages of each method in terms of economics and environmental impact. It was further observed that optimizing the building design with the goal to reduce embodied energy and carbon in compliance with modern energy standards, was crucial to improve overall energy performance. This work demonstrated that the developed BIM-based framework to assess the environmental impact of rehabilitation work in aging buildings can provide effective ratings to guide decision-making in real-world projects.

Oil palm is one of the most important crops in Malaysia. Lately, the production of oil palm has been reduced due to a variety of factors, including the weather and climate. Temperature, wind speed, relative humidity, sunshine, and rainfall distribution all have an impact on palm tree growth and development, which in turn has an impact on oil palm production. This paper aims to investigate the effects of some weather elements (temperature, wind speed, relative humidity, sunshine, and rainfall) on oil palm production in Peninsular Malaysia. Data were analyzed using the Statistical Package for Social Sciences (SPSS 20.0 version), with descriptive statistics, and multiple linear regression (MLR). The MLR model determined the strength of the relationship between oil palm yield (dependent variable) and the changing variables of temperature, sunshine, wind speed, relative humidity, and rainfall (independent variables). The findings revealed that temperature, wind speed, relative humidity, sunshine, and rainfall have a low impact on oil palm production and yield turnover. The R2 value of 0.202 shows that the independent variables explained only 20.2% of the fluctuation in palm oil production. The study recommends working within an integrated approach involving scientific research, planting, improving variety, improving regional academic leadership, and engaging private and public stakeholders, emphasized collaborative efforts with researchers in consumer countries, and strengthening the capacity of growers to best agroecological practices.

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

Rapid in vitro assessment of antimicrobial drug efficacy under clinically relevant pharmacokinetic conditions is an essential element of both drug development and clinical use. Here we present an overview of a novel integrated methodology for rapid assessment of such efficacy, particularly against emergence of resistant bacterial strains, as jointly researched by the authors in recent years. This methodology enables rapid in vitro assessment of antimicrobial efficacy of a single or multiple drugs in combination, following clinically relevant pharmacokinetics. The proposed methodology entails (a) automated collection of longitudinal time-kill data in an optical-density instrument; (b) processing of collected time-kill data with the aid of a mathematical model to de-termine optimal dosing regimens under clinically relevant pharmacokinetics for a single or mul-tiple drugs; and (c) in vitro validation of promising dosing regimens in a hollow fiber system. Proof-of-concept of this methodology through a number of in vitro studies is discussed. Future directions for refinement of optimal data collection and processing are discussed.

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

This study investigates the critical success factors (CSFs) of Lean Six Sigma (LSS) implementation and their impact on organizational growth in Nigerian enterprises. The objectives were to identify crucial CSFs for successful LSS deployment and assess their significance in achieving organizational growth. A mixed-method approach was used, including literature analysis, expert judgments, and a survey of 130 participants from various industries. The survey questionnaire employed a 5-point Likert scale to collect data on LSS CSFs and implementation success metrics. Structural equation modeling (SEM) with SmartPLS 4.0 analyzed the data, revealing that LSS CSFs significantly contribute (up to 39.2 percent) to the success of LSS implementations. The study identified 12 critical LSS CSFs, categorized into workers, business, and management, each influencing LSS implementation. Recommendations include creating a supportive environment, providing comprehensive training, and prioritizing continuous improvement efforts for successful LSS deployment. Future research possibilities include longitudinal studies, sector-specific analyses, and qualitative investigations to deepen understanding and enhance LSS implementation outcomes. In conclusion, successful LSS implementation empowers Nigerian organizations with improved productivity, waste reduction, and sustainable production systems, leading to overall growth and success.

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

The stochastic modelling of chemical physical processes is essentially based on a coarse-grained formulation of fluctuations, usually described by means of Wiener processes. By taking the paradigmatic example of chemical reaction kinetics, we propose a simple representation of microscopic stochastic dynamics grounded on the use of distributional derivatives of counting processes that account for elementary reactive events. This approach is consistent with the statistical analysis based on the Chemical Master Equation, and provides the formal setting for the existing algorithmic approaches (Gillespie algorithm). Some practical advantages of this formulation are addressed, and several other examples are discussed in connection with cluster formation, velocity fluctuations in liquid systems, and quantum transitions (radiative interactions) at the molecular level.

The study aims to investigate Gen Z's intentions to utilize the Waze mobile application as a solution for sustainable traffic management in Meto Manila. The extended Technology Acceptance Model (TAM) was used to define user behavior and technology usage to determine the factors influencing Filipino drivers' application acceptance of Waze. The study’s data results have revealed that the System Quality, Perceived Location Accuracy, Perceived Usefulness, and Perceived Ease of Use affect Filipinos' intentions to use traffic navigation applications, particularly Waze. The study utilized a survey and was given to 300 Filipino drivers traveling within the National Capital Region to accurately measure the factors and their connections to usage intention and actual use. The analytical approach used for this investigation was partial least squares structural equation modeling (PLS-SEM). The study's results can be applied as a theoretical framework for future researchers of Waze mobile applications, Waze route accuracy, and Waze overall application performance, as well as the features of the Waze application, to evaluate how the use of the Waze mobile application could help in the effective management of traffic situations in Metro Manila. The study was able to assess the effectiveness of the Waze navigation app as a platform for efficiently managing traffic situations in Metro Manila. Moreover, this study also highlighted the application performance of Waze and its acceptance by Filipino drivers in Metro Manila. Furthermore, the study implores a critical review of Waze's application performance. The study recommends that similar future studies must consider samples from a more diverse geographic background to obtain a more accurate representation of Filipinos traveling. Future researchers are also advised to adopt a qualitative research design to gain more detailed insights of Filipinos regarding their experience with the Waze application.

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

We presents results obtained from the numerical simulation of the gas-phase chemical kinetics in atmospheric pressure air non-equilibrium plasmas. In particular we have addressed the effect of pulsed operation mode of a planar dielectric barrier discharge. As it was conjectured, the large difference in the time scales involved in the fast dissociation of molecules in plasmas and their subsequent reactions to produce stable chemical species, makes the presence of a continuously repeated plasma production stage unnecessary and a waste of electrical power and efficiency. Results on NOx remediation, ozone production, water vapor and ammonia dissociation are discussed. A few comparisons with experimental findings in a dielectric barrier discharge reactor already used for applications is briefly addressed too. Our results clearly indicate a pattern for the optimization of the discharge using a carefully designed repetition rate and duty-cycle.

Wave is a common environmental load that often causes serious damages to offshore structures. In addition, the stability for the submarine artificial slope is also affected by the wave loading. Although the landslide of submarine slopes induced by the waves has received wide attention, the research on the influence of solitary-wave is rare. In this study, a 2-D integrated numerical model is developed to investigate the stability of the foundation trench under the solitary wave loading. The Reynolds-Averaged-Stokes (RANS) equations are used to simulate the propagation of a solitary wave, while the current is realized by setting boundary inlet/outlet velocity. The pore pressure induced by the solitary wave is calculated by Darcy’s law and the seabed is characterized by Mohr-Coulomb constitutive model. Firstly, the wave model is validated through the comparison between analytical solution and experimental data. The initial consolidation state of slope under hydrostatic pressure is achieved as the initial state. Then, the factor of stability (FOS) for the slope corresponding to different distance between wave crest and slope top is calculated with the strength reduction method. The minimum of FOS is defined as the stability index for the slope with specific slope ratio during the process of dynamic wave loading. The parametric study is conducted to examine the effects of soil strength parameters, slope ratio and current direction. At last, the influence of upper slope ratio in a two-stage slope is also discussed.

In this paper, Hybrid Automata, which is a formal model for hybrid systems, has been introduced. A summary of its theory is presented and some of its special and important classes are listed and some properties that can be studied and checked for it are mentioned. Finally, the purposes of use, the most widely used areas, and the tools that provide H.A. Support are addressed.

Cell free systems are a widely used research tool in systems and synthetic biology and a promising platform for manufacturing of proteins and chemicals. In the past, cell free biology was primarily used to better understand fundamental biochemical processes. Notably, E. coli cell free extracts were used in the 1960s to decipher the sequencing of the genetic code. Since then, the transcription and translation capabilities of cell free systems have been repeatedly optimized to improve energy efficiency and protein yield. Today, cell free systems, in combination with the rise of synthetic biology, have taken on a new role as a promising technology for just in time manufacturing of therapeutically important biologics and high-value small molecules. They have also been implemented in an industrial scale for the production of antibodies and cytokines. In this review, we discuss the evolution of cell free systems, advancements in cell free protein synthesis, and cell free metabolic engineering, and conclude with discussing the importance and feasibility of mathematical modeling in cell free systems.

The anterior cruciate ligament (ACL) injury in the knee is one of the most frequent injuries in the biomechanical environment during jumping exercises; however, repeated jumping, like jumping rope, has not been reported to have a significant impact on the ACL injury. Because of this, this study aimed to compare and examine any potential biomechanical risk factors that can arise during various jumping rope activities, including the basic bounce (BB), forward-backward jump (FB), side-to-side jump (SS), and high knee jump (HK). Thirty participants were recruited. A motion capture system was used to obtain synchronized kinematic and kinetic data for four different jumping rope techniques. The OpenSim modeling system was used to determine the biome-chanical knee factors. The paired samples t-test was used to compare the mean difference in each jumping rope technique of initial contact (IC) and maximum knee flexion (MKF), and a one-way ANOVA was used to compare the mean difference between four different jumping rope techniques in the IC-MKF phase. Between IC and MKF, knee flexion angle, moment, joint ground reaction forces (GRF), and muscle forces of four jumping rope techniques were significantly different (p <.05). Also, in the IC-MKF phase, knee flexion angle and knee extension moment; HK was lower than others; vertical GRF; HK and FB were higher than others; anteroposterior, mediolateral GRF, and muscle forces; SS was higher than others (p <.05). Depending on the jumping rope techniques, the lower knee flexion angle in HK, the higher knee vertical GRF in HK and FB, the higher knee extension moment, anteroposterior, mediolateral GRF, and muscle forces on SS could be a pos-sibility of ACL injury risk compared to others. Therefore, it is recommended that SS be used in risk assessment of ACL in future studies, and BB will be suitable for normal people in daily exercises or will be the alternative intervention program for knee rehabilitation with the lowest risk of injury.

The built environment sector’s growing impact on climate change is becoming increasingly important due to its share in energy consumption and greenhouse gas emissions. Global efforts have been undertaken to design and develop residential dwellings that aim towards zero energy and carbon emission, but there remains a multitude of obstructions to efficient construction processes. This study is focused on the gaps and barriers that have emerged during the pre-construction phase of a low-environmental-impact Passive House in Fayetteville, Arkansas. The technical, management, regulatory, and supply chain obstacles to the construction of a new three-story residential Passive House are documented to engage knowledge transformation in the design and construction of sustainable buildings of interest to developers and property owners. Primary data are collected by direct observation as well as open-ended interviews and secondary data collected through a literature review to understand the barriers and gaps faced by different key actors during the pre-construction phase in different regions. This local study highlighted the lack of interest, knowledge, and experience in sustainable building design among professionals having a significant influence on the project goals and timeline and was mentioned by participants as a common barrier as well as the inconsistency and inadequacy of regulatory framework of existing building codes to implement sustainable building design. These barriers along with other identified barriers are discussed and recommendations to overcome these barriers are provided.

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

This study analyzes the relationship between the spread of the SARS-CoV-2 virus (COVID-19) and the mobility patterns of the Portuguese population. By reducing mobility, the idea is that contacts are reduced, countering the spread of the virus in the community. As an indicator of the spread of the virus, the reproduction number (Rt) was used. Data from Google's Community Mobility Reports was used to evaluate changes in mobility patterns. This report uses location data from Android mobile phone users. The locations are divided into retail and recreation, grocery and pharmacy, parks, transit stations, workplaces and residential. In this year of the COVID-19 crisis in Portugal, population mobility patterns have changed over the various phases of the pandemic. At first, all mobility was affected uniformly, with the population avoiding much of the activity outside the home. In a second phase, there was some adaptation, and the areas considered to be of lower risk had less impact, emphasizing the changes in the relationship between daily life and the workplace.

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

Objective: Cerebrovascular accidents are the second leading cause of death and the third leading cause of disability worldwide. We hypothesized that cerebellar transcranial direct current stimulation (ctDCS) of the dentate nuclei and the lower-limb representations in the cerebellum can improve standing balance functional reach in chronic (> 6 months’ post-stroke) stroke survivors. Materials and Methods: Magnetic resonance imaging(MRI) based subject-specific electric field was computed across 10 stroke survivors and one healthy MRI template to find an optimal bipolar bilateral ctDCS montage to target dentate nuclei and lower-limb representations (lobules VII-IX). Then, in a repeated-measure crossover study on 5 stroke survivors, we compared 15minutes of 2mA ctDCS based on the effects on successful functional reach(%) during standing balance task. Three-way ANOVA investigated the factors of interest– brain regions, montages, stroke participants, and their interactions.Results: “One-size-fits-all” ctDCS montage for the clinical study was found to be bipolar PO9h – PO10h for dentate nuclei and bipolar Exx7–Exx8 for lobules VII-IX with contalesional anode. Bipolar PO9h–PO10h ctDCS performed significantly (alpha=0.05) better in facilitating successful functional reach (%) when compared to bipolar Exx7–Exx8 ctDCS. Furthermore, a linear relationship between successful functional reach (%) and electric field strength was found where bipolar PO9h–PO10h montage resulted in a significantly (alpha=0.05) higher electric field strength when compared to bipolar Exx7–Exx8 montage for the same 2mA current. Conclusion: We presented a rational neuroimaging based approach to optimize deep ctDCS of the dentate nuclei and lower limb representations in the cerebellum for post-stroke balance rehabilitation.

A premise of statistical learning research is that learners attend to and learn the frequencies of repeating or co-occurring elements in the input. When the input is a series of words, participants readily learn the frequencies of phoneme sequences, that is, to learn phonotactic frequencies. Inherent to the concepts of both frequency and phonotactics is order, or the temporal structure of the input. Order is similarly inherent to statistical learning, yet the effect of order on statistical learning is not well understood. In the present study, adult participants learned the relative frequencies of eight item-medial consonant sequences, for example, the /mk/ in /nʌmkət/. Across five ordering conditions, both familiarization and test stimuli were independently ordered and randomized, thus allowing for a relatively broad search for order effects in an established statistical learning paradigm. Participants learned the target frequencies equivalently across the five ordering conditions, indicating no modulating effect of order. Nevertheless, participants also approached the task by applying idiosyncratic, structured orders to their responses. The result is an unexpected but robust effect of order. Both the results and the design of the study also allow for increased integration of statistical learning with memory and other aspects of cognition.

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

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

The GFPMX projects forest area and stock, consumption, production, imports, exports, and prices of industrial roundwood, fuelwood, sawnwood, wood-based panels, wood-pulp, and paper and paperboard, in 180 countries, and currently from 2018 to 2070. The core principle of the model is the Cobweb theorem, according to which markets are not necessarily in equilibrium, but take some time to adjust to shocks, such as demand shifts, leading to oscillatory dynamics of prices and quantities. The paper presents the model structure and the estimation of its parameters from international statistics on production, trade, forest area, and forest stock. This is followed by an application of the GFPMX to the impact on the global forest sector of the economic recession caused by the COVID-19 pandemic.

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

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

The paper outlines a methodology for developing a model to estimate energy consumption in electric vehicles (EVs). The most robust validation indicators were exhibited by an artificial intelligence method, specifically neural networks. Within this framework, two predictive models for EV energy consumption were developed for winter and summer conditions, based on actual driving cycles. Such models hold particular significance for microscale road analyses. The resultant model for test data in summer conditions demonstrates validation indicators with an R2 of 86% and an MSE of 1.4, while for winter conditions, the values are 89% and 2.8, respectively, confirming its high precision. The paper also presents exemplary applications of the developed models, utilizing both real and simulated microscale data. The results obtained and the presented methodology can be especially advantageous for decision-makers in city road management and infrastructure planners, aiding both cognitive understanding and better planning of charging infrastructure networks.

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

In this paper, a regression model between neutron star crust-core pressure and the symmetry energy characteristics was estimated using the Akaike information criterion and the adjusted coefficient of determination Radj2. Based on the obtained regression function, the most probable value of the transition density, which should characterize the crust-core environment of the sought physical neutron star model, was determined. An anti-correlation was found between this transition density and the main characteristic of the symmetry energy, i.e., its slope L.

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

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

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

Tree biomass and diversity relationship in mixed forest impacts on forest ecosystem services provisions. Tree biomass yield is driven by several aspects such as species identity, site condition, stand density, tree age as well as tree diversity expressed as species mingling and structural diversity. By comparing diverse degrees of tree mixture in natural forests we can insight on the ecosystem services provision level and dynamic. Two monitoring sites in the Castilian Northern Plateau (Spain) have been analyzed to disentangle the relationships between biodiversity levels and tree biomass yield. Two permanent one ha squared plots were established at Llano de San Marugan and Valdepoza. In each plot all individual trees were measured (diameter and height), georeferenced and its species identity defined. Tree species in the two sites were Pinus sylvestris, Pinus nigra, Pinus pinea, Quercus pyrenaica, Quercus ilex, Quercus faginea and Juniperus thurifera. From these datasets ten diversity indices that fall in three categories (species richness indices, species compositional/mingling indices and vertical structural indices) were used as predictor variables to fit several candidate models. By merging the trees by site (without considering the species identity) selected models include individual tree basal area as explanatory variable combining by addition or interaction with diversity indices. When species are analyzed independently structural diversity impacts on biomass yield in combination (additive or multiplicative) with tree size is negative Pinus nigra and positive for the other species.

This paper presents the validation of the End Point Rate (EPR) tool for QGIS (EPR4Q), a tool built-in QGIS Graphical Modeler to calculate the shoreline change by End Point Rate method. The EPR4Q tries to fill the gap of user-friendly and free open-source tool for shoreline analysis in Geographic Information System environment, since the most used software - Digital Shoreline Analysis System (DSAS) - although is a free extension, is suited for commercial software. Besides, the best free open-source option to calculate EPR called Analyzing Moving Boundaries Using R (AMBUR), since it is a robust and powerful tool, the complexity and heavy processes can restrict the accessibility and simple usage. The validation methodology consists of applying the EPR4Q, DSAS, and AMBUR on different examples of shorelines found in nature, extracted from the U.S. Geological Survey Open-File. The obtained results of each tool were compared with Pearson correlation coefficient. The validation results indicate that the EPR4Q tool created acquired high correlation values with DSAS and AMBUR, reaching a coefficient of 0.98 to 1.00 on linear, extensive, and non-extensive shorelines, guarantying that the EPR4Q tool is ready to be freely used by the academic, scientific, engineering, and coastal managers communities worldwide.

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

The prevalence of differential equations as a mathematical technique has refined the fields of control theory and constrained optimization due to the newfound ability to accurately model chaotic, unbalanced systems. However, in recent research, systems are increasingly more nonlinear and difficult to model using Differential Equations only. Thus, a newer technique is to use policy iteration and Reinforcement Learning, techniques that center around an action and reward sequence for a controller. Reinforcement Learning (RL) can be applied to control theory problems since a system can robustly apply RL in a dynamic environment such as the cartpole system (an inverted pendulum). This solution successfully avoids use of PID or other dynamics optimization systems, in favor of a more robust, reward-based control mechanism. This paper applies RL and Q-Learning to the classic cartpole problem, while also discussing the mathematical background and differential equations which are used to model the aforementioned system.

The Rosetta software suite for macromolecular modeling, docking, and design is widely used in pharmaceutical, industrial, academic, non-profit, and government laboratories. Considering its broad modeling capabilities, Rosetta consistently ranks highly when compared to other leading methods created for highly specialized protein modeling and design tasks. Developed for over two decades by a global community of scientists at more than 60 institutions, Rosetta has undergone multiple refactorings, and now comprises over three million lines of code. Here we discuss the methods developed in the last five years, involving the latest protocols for structure prediction, protein–protein and protein–small molecule docking, protein structure and interface design, loop modeling, the incorporation of various types of experimental data, and modeling of peptides, antibodies and other proteins in the immune system, nucleic acids, non-standard amino acids, carbohydrates, and membrane proteins. We briefly discuss improvements to the energy function, user interfaces, and usability of the ­­software. Rosetta is available at www.rosettacommons.org.

Nowadays, one of the biggest concern of human being is greenhouse gas emission, especially carbon dioxide emission in developed and under-developing countries. In this study, connectionist models including LSSVM (Least Square Support Vector Machine) and evolutionary methods are employed for predicting the amount of CO₂ emission in six Latin American countries, i.e., Brazil, Mexico, Argentina, Peru, Chile, Venezuela, and Uruguay. The studied region is modelled based on the available input data in terms of Million tons including oil (Million tons), gas (Million tons oil equivalent), coal (Million tons oil equivalent), $R_{ew}$ (Million tons oil equivalent), and Gross Domestic Product (GDP) in terms of billion US dollars.} Moreover, the available patents in the fields of climate change mitigation in six Latin American countries namely Brazil, Mexico, Argentina, Peru, Chile, Venezuela, and Uruguay has been reviewed and analyzed. The results show that except Venezuela, all other mentioned countries have invested in renewable energy R&D activities. Brazil and Argentina have the highest share of renewable energies which account for 60% and 72% respectively.

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

Mathematical models of cognition measure individual differences in cognitive processes, such as processing speed, working memory capacity, and executive functions, that may underlie general intelligence. As such, cognitive models allow identifying associations between specific cognitive processes and tracking the effect of experimental interventions aimed at the enhancement of intelligence on mediating process parameters. Moreover, cognitive models provide an explicit theoretical formalization of theories regarding specific cognitive process that may help overcoming ambiguities in the interpretation of fuzzy verbal theories. In this paper, we give an overview of the advantages of cognitive modeling in intelligence research and present models in the domains of processing speed, working memory, and selective attention that may be of particular interest for intelligence research. Moreover, we provide guidelines for the application of cognitive models in intelligence research, including data collection, the evaluation of model fit, and statistical analyses.

GNSS receivers are nowadays commonly used in monitoring applications, e.g., in estimating crustal and infrastructure deformations. This is basically due to the recent improvements in GNSS instruments and methodologies that allow high precision positioning, 24 h availability and semiautomatic data processing. In this paper, GNSS estimated deformations on a dam structure have been analyzed and compared with pendulum data. This study has been carried out for the Eleonora D’Arborea (Cantoniera) dam, which is in the Sardinia Island. Time series of pendulum and GNSS over a time span of 2.5 years have been aligned so to be comparable. Analytical models fitting these time series have been estimated and compared. Those models were able to properly fit pendulum data and GNSS data, with standard deviation of residuals smaller than one millimeter. This encouraging results led to the conclusion that GNSS technique can be profitably applied to dam monitoring allowing a denser description, both in space and time, of the dam displacements than the one based on pendulum observations.

COVID-19 is a novel severe acute respiratory syndrome coronavirus. Presently, there is no effective treatment for COVID-19. As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline structure of the SARS-CoV-2 main protease Mpro (also called 3CL^pro) bound to a synthetic inhibitor which represents a major druggable target. The druggability of Mpro could be used for discovering drugs to treat coronavirus disease 2019. It was carried out a multi-level computational study to evaluate the potential anti-viral properties of the components of the medicinal herb Uncaria tomentosa (Cat´s claw) focusing on the inhibition of M^pro. The in-silico approach starts with protein-ligand docking of 26 Cat’s claw key components followed by ligand pathway calculations, molecular dynamics simulations and MM-GBSA calculation of the free energy of binding for the best docked candidates. The structural bioinformatics approaches led to the identification of three bioactive compounds of Uncaria tomentosa (Speciophylline, Cadambine and Proanthocyanidin B2) with potential therapeutic effects by strong interaction with 3CLpro. Additionally, in silico drug-likeness indices for these components were calculated and show good predicted therapeutic profiles of these phytochemicals. Our findings suggest the potential effectiveness of Cat's claw as complementary and/or alternative medicine for COVID-19 treatment.

This paper introduces a novel method for accurately calculating the upper biomass of single trees using Light Detection And Ranging (LiDAR) point cloud data. The proposed algorithm involves classifying the tree point cloud into two distinct ones: the trunk point cloud and the crown point cloud. Each part is then processed using specific techniques to create a 3D model and determine its volume. The trunk point cloud is segmented based on individual stems, with each stem further divided into slices that are modeled as cylinders. On the other hand, the crown point cloud is analyzed by calculating its footprint and gravity center. The footprint is further divided into angular sectors, with each being used to create a rotating surface around the vertical line passing through the gravity center. All models are represented in a matrix format, simplifying the process of minimizing and calculating the tree’s upper biomass, consisting of crown biomass and trunk biomass. To validate the proposed approach, both terrestrial and airborne datasets are utilized. A comparison with existing algorithms in the literature confirms the effectiveness of the new method. The study shows that the proposed algorithm achieves an average fit between 0.01 m and 0.49 m for individual trees.

Covid-19 pandemic has greatly affected the whole world since the beginning and it continues to affect it. The main aim of this study is to show how Covid-19 affect other mortal diseases; cancer, heart diseases, and diabetes in near future. With this purpose two mathematical models are proposed via Ordinary Differential Equations (ODEs); one for the relationship between Covid-19 and cancer and one for the relationship between Covid-19, diabetes and heart diseases. Afterwards, stability analyses of these models are demonstrated. In order to see the effect of parameters on the disease compartments, sensitivity analysis is applied. Results of sensitivity analysis revealed that huge percentage of people are still scared of visiting doctors and this may lead a massive increase in the diagnosis of other diseases for upcoming years. Moreover, figures displayed that there exists a relationship between diabetes and heart diseases. Especially, diabetes patients should be careful about their health situations and take care of their heart. In order to provide these, awareness of people should be developed.

This study proposes a nonlinear mathematical model of virus transmission based on the SEIR model. In this study, the interaction between viruses and immune cells is investigated using phase-space analysis of a mathematical model. Specifically, it is focused on the dynamics and stability behavior of the mathematical model of a virus spread in a population and its interaction with human immune systems cells. The endemic equilibrium points are found and local stability analysis of all equilibria points of the related model is obtained. Further, the global stability analysis either, at disease-free equilibria, or in endemic equilibria is discussed by constructing the Lyapunov function which shows the validity of the concern model exists. Finally, a simulated solution is achieved and the relationship between viruses and immune cells is highlighted.

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

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

Recently, with the rapid advancement of the 4th Industrial Revolution, there has been a continuous outlook that Data (D), Network (N), and Artificial Intelligence (A) should be heavily utilized as resources in light of new value. South Korea is preparing policy training plans the likes of 5G network enhancement, AI manpower training, and data openings, etc., recognizing DNA technology as the key driving force behind the 4th Industrial Revolution and 5G network enhancement, AI manpower training, and data opening, etc. However, there is a criticism that the DNA industry remains in an early stage. Despite policy support within South Korea, the DNA industry has not been revitalized due to various causes, and in particular, not being concentrated on limited resources selectively is also pointed to as an important cause. this study would quantitatively draw the priority of policy measures as well as propose policy implications for the revitalization of the DNA industry by means of the ISM-ANP model. It is judged that South Korea’s experience in this way will be an important lesson for other countries which would politically promote the DNA industry as a new growth engine within the 4th Industrial Revolution environment.

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

Spatial pattern-oriented evaluations of distributed hydrological models have contributed towards an improved realism of hydrological simulations. This advancement was supported by the broad range of readily available satellite-based datasets of key hydrological variables, such as evapotranspiration (ET). At larger scale, spatial patterns of ET are often characterized by an underlying climate gradient, and with this study, we argue that gradient dominated patterns may hamper the potential of spatial pattern-oriented evaluation frameworks. We hypothesize that the climate control of spatial patterns of ET overshadows the effect model parameters have on the simulated variability. To solve this limitation, we propose a climate normalization strategy. This is demonstrated for the Senegal River basin as modeling case study, where the dominant north-south precipitation gradient is the main driver of the observed hydrological variability. Two multi-objective calibration experiments investigate the effect of climate normalization. Both calibrations utilize observed discharge (Q) in combination with remote sensing ET data, where one is based on the original ET pattern and the other utilizes the normalized ET pattern. We identify parameter sets that balance the tradeoffs between the two independent observations and find that the calibration using the normalized ET pattern does not compromise the spatial patern performance of the original pattern. However, vice versa, this is not necessarily the case, since the calibration using the original ET pattern showed a poorer performance for the normalized pattern. Both calibrations reached comparable performance of Q. With this study, we identified a general shortcoming of spatial pattern-oriented model evaluations using ET in basins dominated by a climate gradient, but we argue that this also applies to other variables such as, soil moisture or land surface temperature.

A car-roof photovoltaic has an enormous potential to change our society. With this technology, 70% of the personal car can run by the solar energy collected by the solar panel on its car-roof. Unfortunately, it is not a simple extension of the conventional photovoltaic technology. This paper list what we need to do for realizing the future that majority of the personal cars run by renewable solar energy, after clarification of the difference from the conventional photovoltaic technology. In addition to the technological development, the standardization of this innovative technology will be important, and the list was made highlighting the standardization.

The unsafe behavior of frontline workers at construction sites is the most important cause of construction accidents. This study proposed a comprehensive model of frontline workers' unsafe behaviors based on a systems perspective and used structural equation modeling (SEM) to explore the influence mechanisms between Objective Conditions (e.g., work environment, work climate, task complexity), Safety Management (e.g., safety education and training, safety reward and punishment regulations, safety inspection, safety technology disclosure, safety warning signs), Group Influence (propagation of unsafe behaviors among workers), Personal Perception (subjective judgment of operators on their safety knowledge and skills), and Unsafe Behaviors. Data from 460 frontline workers were collected through questionnaires and the correlation hypotheses were tested using SPSS 26.0 and Amos 26.0 software. The following conclusions were obtained: (1) Objective Conditions directly positively influence Safety Management, Group Influence, and Personal Perception, but indirectly negatively influence Unsafe Behavior; (2) Safety Management not only directly positively affects Personal Perception but also directly negatively affects Unsafe Behavior. However, the direct effect of Safety Management on Group Influence is not significant; (3) Group Influence has a direct positive effect on Unsafe Behavior, but the direct effect on Personal Perception is not significant; (4) The direct effect of Personal Perception on Unsafe Behavior is insignificant. These findings can be used as preliminary data to guide decision-makers or managers in construction companies to develop reasonable management plans to curb unsafe behaviors of frontline workers.

During the dry season, glaciers contribute significantly to the water supply downstream, especially in areas with seasonal rainfall. It is important to have physical-based glacier models, which are more advanced in quantifying the future dynamics of glaciers and melt distribution. Toward this purpose, an investigation of different numerical modeling tools and their approach is conducted and planned further to incorporate a glacier module into a spatially distributed model called mHM (Mesoscale Hydrological Model, mhm-ufz.org). An open-source tool called MATILDA (Modeling Water Resources in Glacierized Catchments) is used beforehand to implement the glacier entities to the application catchment Maipo Basin in Chile. Due to limited time availability and source of data, the glacier melt of the MATILDA model is integrated into the mHM model to see what the implications would be if the glacier module was implemented from scratch in mHM. The analysis of the glacier hydrology resulting from the Maipo-Glacier model was carried out by comparing the modeled glacier flows with the total observed flows. To assess the credibility of the models, the results are compared based on three goodness-fit measures, specifically r^2Coefficient of Determination), NSE (Nash-Sutcliffe Efficiency), and KGE (Kling-Gupta Efficiency). Application of the mHM model in the Maipo basin in Central Chile is performed by using prepared input datasets, showing that the approach is viable as evidenced by a Kling-Gupta Efficiency of 0.80 and Nash-Sutcliffe Efficiency of 0.70 from the starting periods of 1950 to 2020. Overestimation by the mHM model occurs during the late summer season, particularly when temperature decreases. The MATILDA model is used on glacier melt distribution, forcing data is prepared from regional datasets, and a glacier profile is constructed from ice thickness datasets. According to the model, the average KGE result for the years 2012–14 and 2015–18 was respectively 0.44 and 0.41. Glacier melt produced by Matilda is in the range of 58-68 % of the total runoff and the glacier area decreased by 22-23% during the simulation period from 2012-14 and 2016-2018. A pilot sub-basin Olivares is used in the coupling mHM model with initializing MATILDA glacier melt. The new model is underestimated during the seasonal transition in the initial days of the simulation. A considerable portion of the ablation period might be missed as a result of the initial storage quality, true glacier extent, and height distribution being understated. As a conclusion, the mHM Model was capable of predicting runoff well in a mountainous region and could also serve as a monitoring tool for watershed management. There are differences in results between the two models because of the different spatial resolutions and methodologies. MATILDA have a glacier retreat routine that gives better result for the glacier characteristics such as. A new glacier dynamics model needs to be implemented in the future to develop intermediate complexity, bridge catchment, and glacier scales after using the mHM, MATILDA, and mHM with MATIDLA model for analysis of glacier and highlighting the model's deficiencies in the initial period of simulative assessments.

Physical rehabilitation aims to help people recover their mobility and strength after an injury or illness. One way to evaluate progress in rehabilitation is through isokinetic prototype tests that describe the dynamic characteristics of an isokinetic leg extension device for rehabilitation and control action. These tests use an isokinetic system to assess muscle strength and performance in a patient during isometric or isokinetic contraction. An experimental prototype allows the performance of the device to be evaluated in a controlled environment prior to use by the patient. In order to achieve physical recovery from musculoskeletal injuries in the lower limbs and achieve the reintegration of the affected subject into society as an independent and autonomous individual in their daily activities, a control model is presented that introduces a medical isokinetic rehabilitation protocol, where the element that allows carrying out such protocol consists of a magnetic particle brake whose control action is strongly influenced by the dynamics of the system when in contact with the end user, specifically the patient's legs in the stretch from the knee to the ankle. The results of these tests are valuable for health professionals seeking to measure their patient’s progress during the rehabilitation process and determine when it is safe and appropriate to advance in their treatment.

Spatio-temporal variability and dynamics in Sahelian agro-pastoral zones make each local situation a special case. These specificities must be considered to guide the dissemination of agricultural options with a view to sustainable development. The territorial scale of municipalities is not sufficient for this necessary contextualization; the scale of the “village terroir” seems to be a better option. This is the hypothesis put forward by the Global Collaboration for Resilient Food Systems program. By analyzing the links between farm managers and their cultivated land, as well as the spatio-temporal dynamics of “village terroirs” in three regions of Niger (Maradi, Dosso and Tillabéri), this study provides evidence of the existence and functional usefulness of the village terroir for farmers, their land management and their activities. It demonstrates the usefulness of contextualizing agricultural options at this scale. It is based on data collected through participatory mapping and surveys. Their analysis elucidates the links between “terroirs village” and the specific functioning of the agro-socio-ecosystems acting on each of them, thus laying the systemic and geographical foundations for a model of the spatio-temporal dynamics of “village terroirs”. This initial work has opened up new perspectives in modeling and sustainable development.

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

For embankment slope stability, soil cohesivity is one of the most important shear strength parameters. The effect of cohesiveness on the slope stability of a homogeneous embankment dam under rapid drawdown loading conditions was examined in this study. With the use of numerical modeling in GeoStudio, different situations were explored based on cohesiveness (0 kN/m², 5 kN/m², 10 kN/m^2, and 15 kN/m²) under a 1 m per day drawdown rate. The factor of safety value obtained from the long-term steady-state condition under 15 kN/m² cohesion was equivalent to a 116.8% increase from the one obtained under 0 kN/m² cohesion. The factor of safety values obtained after subjecting the embankment to different soil cohesion levels yielded a p-value of 1.91 x 10^-41, according to the Analysis of Variance. The calculated p-value (alpha value) is less than 0.05, suggesting that the differences between the examined cohesiveness values based on the list of the factor of safety values are statistically significant. The findings derived in this study show that it is significant to capture the effect of material characteristics during the design phase of an embankment dam.

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

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

The present paper deals with the stochastic modeling of bio-colonization for the computation of stochastic hydrodynamic loading on jacket-type offshore structures. It relies on a multidisciplinary study gathering biological and physical research fields that accounts of uncertainties at all the levels. Indeed, bio-colonization of offshore structures is a complex phenomenon with two major but distinct domains (i) marine biology whose processes are modeled with biomathematics methods and (ii) hydrodynamic processes. This paper aims to connect these two domains. It proposes a stochastic model for the marine organism’s growth and then continues with transfers for assessment of drag coefficient and forces probability density functions that accounts for marine growth evolution. A case study relies on the characteristics (growth and shape) of the blue mussel (Mytilus edulis) in northeastern Atlantic.

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

Renewable sources and electric distribution network can produce or make available a surplus of electric and thermal energies. The Intermediate Temperature Solid Oxide Electrolyzer (IT-SOE) fed by CO2-steam mixtures can store these electric and thermal energies producing CO-H2 mixtures with high conversion efficiency. Inside the IT-SOE, the CO2-steam mixtures are converted to CO-H2 mixtures and O2 through the cathode and anode electrochemical reactions and reverse water gas shift chemical reaction. In this article an IT-SOE stack fed by different types of steam mixtures was tested at different operating temperatures and the stack polarization and electric power curves were detected experimentally. At the highest hydrogen production operating temperature of the stack fed by steam mixtures, the experimental polarization and electric power curves of the stack fed by steam and CO2-steam mixtures were compared. A simulation model of the IT-SOE system (stack and furnace) fed by CO2-steam mixtures was formulated ad hoc and implemented in a Matlab environment and experimentally validated. At the highest hydrogen production stack operating temperature, the IT-SOE system thermal equilibrium current was evaluated through the simulation model. Moreover, the influence of this current on the IT-SOE system efficiency and the CO-H2 mixture degree of purity was highlighted.

The production of vaccines of biological origin presents a tremendous challenge for researchers. In this context, animal cell cultures are an excellent alternative for the isolation and production of biologicals against several viruses since they have an affinity with viruses and a great capacity for their replicability. Different variables have been studied to know the system's ideal parameters, allowing it to obtain profitable and competitive products. Consequently, this work focuses its efforts on evaluating an alternative for producing an anti-influenza biological from MDCK cells using SuperPro Designer v8.0 software. The process uses the DMEN culture medium supplemented with nutrients as raw material for cell development; the MDCK cells were obtained from a potential scale-up with a final working volume of 500 L, four days of residence time, inoculum volume of 10%, and continuous working mode with up to a total of 7400 h/Yr of work. The scheme has the necessary equipment for the vaccine's production, infection, and manufacture with yields of up to 416,698 units/h. In addition, it was estimated to be economically viable to produce recombinant vaccines with competitive prices of up to 0.31 USD/unit.

This paper presents a numerical study on the laser shock wave propagation in a 3D woven CFRP material by means of detailed and homogenized FE models. The aim of the study is to numerically characterize the shock wave response of the 3D woven CFRP in terms of back face velocity profiles and the induced damage and to investigate whether the detailed FE models could be replaced by homogenized FE models. The 3D woven geometry was designed using the TexGen software, while the numerical analyses were executed using the LS-Dyna explicit FE software. A high-strain rate behavior was considered for the matrix. The fiber bundles in the detailed models were modeled as a high fiber content unidirectional composite laminate, with its mechanical properties calculated by micromechanical equations. Both for the fiber bundles of the detailed model and the homogenized models a progressive damage material model was applied. The results of the detailed model reveal a considerable effect of material’s architecture on the shock wave propagation and the sensitivity of the back face velocity profile to the spot location. Consequently, the homogenized model is not capable of accurately simulating the shock wave response of the 3D woven composite. Moreover, the detailed predicts with high accuracy matrix cracking in the resin-rich areas and in the bundles as well as fiber failure. On the contrary, the homogenized model predicts matrix cracking at the same areas and no fiber failure.

This paper aims to propose improvements for plastic waste management in Salvador – the Brazilian third most populated metropolis – via Partial Least Squares Structural Equation Modeling (PLS-SEM). All indicators, constructs, and hypotheses regarding collection, sorting, recycling, and disposal in the proposed PLS model were derived from the literature review, and the dependence of the performance construct on efficiency, effectiveness, municipality's socioeconomic aspects and municipality infrastructure is evaluated. Academic and practitioner publics were surveyed, and after analysis in both SmartPLS and RStudio software, suggestions for improvement regarding plastics recycling rate, market maturity, and infrastructural aspects for optimized reverse logistics were made. Since almost double the minimum number of respondents answered the survey questionnaire and the PLS-SEM statistics showed that the modeling presents consistency, the discussion is relevant. The model can and will evolve, but examples of suggested improvement are the installation of Deposit-Return Systems (DRS) in parks, streets, and avenues for increasing selective collection and the direct purchasing of waste from residents by municipal administration, compensating them with vouchers for food. The model can be a basis for other cities worldwide sharing analogous characteristics. By considering it, organizations can contribute to both reduced Greenhouse Gas (GHG) emissions and reduced terrestrial pollution.

The oscillation of an elastically mounted rigid cylinder excited by steady fluid flow is investigated. Regarding the nonlinearity of real practical structures like marine risers and the stay cable of a long-span bridge, the dynamic behavior of the circular cylinder is described by double Duffing equations and the aerodynamic force performance of the wake flow is expressed by wake oscillator equation. Unlike previous studies, in the present investigation, attention is focused on coupling the wake oscillator equations, taking into account quadratic terms. Following this approach, the cylinder's combined cross-flow and in-line Vortex-Induced Vibrations (VIV) are modeled more accurately. Empirical coefficients are adjusted through comparison with previous credible experimental studies and the effects of changing coefficients of the quadratic terms on major VIV parameters are investigated. The oscillating amplitude calculated by the present model is close to that of the experiment. The relative error of results obtained by the present coupled model is lower than the previous model. Moreover, the present model successfully predicts the moving trajectories of a circular cylinder under VIV in a figure-of-eight shape.

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

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

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

Reaching the land-related UN-Sustainable Development Goals (SDGs) and similar goals articulated by the EU-Green Deal (GD) by 2030 presents a major challenge and requires a pragmatic approach to be focused on joint learning by land users (mostly farmers), researchers and other stakeholders in “Living Labs” and system experiments at experimental farms of research organizations. Defining specific indicators and thresholds for ecosystem services in line with land-related SDGs, are crucial to establish: “Lighthouses” that can act as inspiring examples if they meet the various thresholds. This exploratory paper discusses indicators and thresholds for an arable farm operating on marine, calcareous light clay soils in the Netherlands. Studies of a system experiment are used to discuss and test operational methodology to be widely applied when characterizing many “Living Labs” in future as planned by the European Union. The important role of soils, contributing to ecosystem services, is discussed in terms of soil health. Recommendations are made for innovative methodology to be associated with all land-related SDGs. Satisfying thresholds of ecosystem services, that will vary by soil type, region and farm-type, can be the basis for farm subsidies such as the Common Agricultural Policy (CAP). Research on Living Labs and in system experiments has to be judged by different criteria than those associated with traditional linear research. Important contributions by soils to achieve ecosystem services are framed in terms of soil health and are the most effective way to promote soil science in a by now widely desired inter- and transdisciplinary context.

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

This cross-country four-year longitudinal study investigated the development of processing speed throughout primary school education. The analyses were conducted on data collected from 441 schoolchildren in Grades 1, 2, 3 and 4 (aged 6.42 to 11.85 years) in the Kyrgyzstan and Russia. Mixed effects growth modeling was applied to estimate average and individual growth trajectories for processing speed at two cross-country samples. Latent class growth modeling was conducted to identify different types of growth trajectories for processing speed and to compare the distribution of the types within the analyzed samples. According to the results, processing speed significantly increases across primary school years. The trajectory is characterized by nonlinear changes with more intensive growth between Grades 1 and 2, which later slows down until Grade 4. There were no significant cross-country differences in the initial score of processing speed or developmental changes in processing speed across primary school years. The development of processing speed is described by a model with three quadratic growth types but minimally differs. It is concluded that in both samples, the development of processing speed may be characterized by homogeneity, with the most intensive growth from Grade 1 to Grade 2 and subsequent linear improvement until Grade 4.

Wave energy converter (WEC) arrays deployed in coastal regions may create physical disturbances potentially resulting in environmental stresses. Presently, limited information is available on the nature of these physical disturbance or the resultant effects. A quantitative Spatial Environmental Assessment Tool (SEAT) for evaluating potential effects of wave energy converter (WEC) arrays on nearshore hydrodynamics and sediment transport is presented for the central Oregon coast (USA) through coupled numerical model simulations of an array of WECs. Derived climatological wave conditions were used as inputs to the model to allow for the calculation of risk metrics associated with various hydrodynamic and sediment transport variables such as maximum shear stress, bottom velocity, and change in bed elevation. The risk maps provided simple, quantitative, and spatially-resolved means of evaluating physical changes in the vicinity of a hypothetical WEC array in response to varying wave conditions. Near-field risk of sediment mobility was determined to be moderate in the lee of the densely spaced array, where the potential for increased sediment deposition could result in benthic habitat alteration. Modifications to the nearshore sediment deposition and erosion patterns were observed near headlands and topographic features, which could have implications for littoral sediment transport. The results illustrate the benefits of a risk evaluation tool for facilitating coastal resource management at early market marine renewable energy sites.

Degradation is an inevitable companion in the operation of solid oxide fuel cell (SOFC) systems since it directly deteriorates the reliability of the system’s operation and the system’s durability. Both are seen as barriers that limit the extensive commercial use of SOFC systems. Therefore diagnosis and prognosis are valuable tools that can contribute to raising the reliability of the system operation, efficient health management, increased durability and implementation of predictive maintenance techniques. Remaining useful life (RUL) prediction has been extensively studied in many areas like batteries and proton-exchange membrane fuel cell (PEM) systems, and a range of different approaches has been proposed. On the other hand, results available in the domain of SOFC systems are still relatively limited. Moreover, methods relying on detailed process models and models of degradation turned out to have limited applicability for in-field applications. Therefore, in this paper, we propose an effective, data-driven approach to predicting RUL where the trend of the health index is modelled by an adaptive linear model, which is updated at all times during the system operation. This allows for a closed-form solution of the probability distribution of the RUL, which is the main novelty of this paper. Such a solution requires no computational load and is as such very convenient for the application in ordinary low-cost control systems. The performance of the approach is demonstrated first on the simulated case studies and then on the data obtained from a long-term experiment on a laboratory SOFC system. From the tests conducted so far it turns out that, the quality of the RUL prediction is usually rather low at the beginning of the system operation, but then gradually improves while the system is approaching the end-of-life (EOL), making it a viable tool for prognosis.

Groundwater monitoring and water level predictions have been a challenging issue due to the complexity of groundwater movement. Simplified numerical simulation models have been used to represent the groundwater system; these models however only provide the conservative approximation of the system and may not always capture the local variations. Several other efforts such as coupling groundwater models with hydrological models and using geostatistical methods are being practiced to accurately predict the groundwater levels. In this study, we present a novel application of geostatistical tool on residuals of groundwater model. Kriging method was applied on the residuals of the numerical model (MODFLOW) generated by the TWDB (Texas Water Development Board) for the Edwards-Trinity (Plateau) aquifer. The study was done for the years 1995 through 2000 where 90% of the observation data was used for model simulation followed by cross-validation with the remaining 10% of the observations. The kriging method reduced the average absolute error of approximately 31 m (for MODFLOW simulation) to less than 5 m. Also, the residuals’ average standard error reduced from 9.7 to 4.7. This implies that the mean value of residuals over entire period can be a good estimation for each year separately. The use of kriging technique thus can provide with improved monitoring of groundwater levels resulting in more accurate potentiometric surface maps.

Purpose: The aim of the present experimental 3D-finite element study was to evaluate the influence of an augmented sinus lift with an additional inserted bone graft block. The bone graft block stabilizes the implant in addition to conventional augmented bone. We placed the block in three different positions. The implants were loaded with axial force and forces secondary to laterotrusion and protrusion. Material and Methods: A simplified U-shaped 3D finite element model of the upper jaw and a more complex anatomical model of the left maxilla were created. The bone graft block was placed in three positions: in the lower third in contact with the sinus floor, the middle, and the upper third of the implant. Van Mises’ stress distribution was calculated and analyzed for the different models. We also compared the complex anatomical model with the simplified one. Results: The position of the bone graft block significantly influences the magnitude of stress distribution. A bone graft block positioned in the upper third or middle of the implant reduces the quantity of stress compared to the reference model without a bone graft block. The low bone graft block position is clearly associated with lower stress distribution in compact bone. We registered no significant differences in stress in compact bone with regard to laterotrusion or protrusion. Conclusions: Maximum values of von Mises stresses in compact bone can be reduced significantly by using a bone graft block. The reduction of stress is nearly the same for positions in the upper third and the middle of the implant. It is much more pronounced when the bone graft block is in the lower third of the implant near the sinus floor, which appeared to be the best position in the present study.

The goal of the study was to assess the farmers’ acceptance of three sustainable production strategies, namely ‘Agro-forestry’, ‘Alternative protein source’ and ‘Prolonged maternal feeding’. Data on the acceptance of these strategies were collected by a survey of dairy farmers in six EU countries (AT, BE, DK, FI, IT, UK). An extended version of the Technology Acceptance Model (TAM) was applied by means of Structural Equation Modelling to testing various hypotheses on attitudes and intentions of dairy farmers towards these novel production strategies, as well as the influence of organic practices and collaborative behaviours along the supply chain. We found that the most preferred strategy - across all countries - was soy substitution by alternative protein sources. We also found that the intention to adopt a sustainable production strategy may derive from the influence of opinions (and behaviours) of relevant others, showing the role of interactions among farmers and other stakeholders in the adoption of innovations. Finally, the perceived usefulness of all investigated strategies is higher for organic farmers, while collaborative patterns reduce the impact of subjective norm on usefulness and overall acceptance. Our findings should encourage policy makers to consider the important role of supply chain management practices, including collaboration, to enhance the sustainability of dairy farming systems.

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

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

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

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

In this study, by using Least Square Method, the dataset for the Gross Domestic Product per capita is modeled as a function satisfying the fractional differential equation. The function itself is assumed to be the finite summation of its previous values and the derivatives with unknown coefficients. Then, the prediction for the upcoming years is done by having an approach dividing the dataset into 4 regions corresponding to four different tasks. The mathematical model of the Gross Domestic Product (GDP) per capita of the countries (and union) which are Brazil, China, European Union (EU), India, Italy, Japan, UK, the USA, Spain, and Turkey is constructed with a new methodology called as the deep assessment method which comes from the expressing an arbitrary function modeling the dataset as the finite summation of its previous values and the derivatives with unknown coefficient. The method uses the fractional calculus properties combining with Least Square Method and is compared to Long short-term memory (LSTM) algorithm which is a special type of neural network used for time sequences in general.

Helicobacter pylori cytotoxin-associated gene A protein (CagA) has been associated with the increase in virulence and risk of cancer. It has been demonstrated that CagA's translocation is dependent on its interaction with phosphatidylserine. We evaluated the variability of the N-terminal CagA in 127 sequences reported in NCBI, by referring to molecular interaction forces with the Phosphatidylserine and the docking of 3 mutations chosen from variations in specific positions. The major sites of conservation of the residues involved in CagA-Phosphatidylserine interaction were 617, 621 and 626 which had no amino acid variation. Position 636 had the lowest conservation score, so mutations in this position were evaluated to observe the differences in intermolecular forces of the CagA-Phosphatidylserine complex. We evaluated the docking of 3 mutations: K636A, K636R and K636N. The models of the crystal and mutations presented a ΔG of −8.919907, −8.665261, −8.701923, −8.515097 Kcal/mol, respectively, while mutations K636A, K636R, K636N and the crystal structure presented 0, 3, 4 and 1 H-bonds, respectively. Likewise, the bulk effect of the ΔG and amount of H-bonds was estimated in all of the docking models. The type of mutation affected both the ΔG (χ²(1) = 93.82, p-value < 2.2 × 10⁻¹⁶) and the H-bonds (χ²(1) = 91.93, p-value < 2.2 × 10⁻¹⁶). In all the data, 76.9% of the strains that exhibit the K636N mutation produced a severe pathology. The average H-bond count diminished when comparing the mutations with the crystal structure of all the docking models, which means that other molecular forces are involved in the CagA-Phosphatidylserine complex interaction.

The rice-wheat rotation is the dominant cropping system in Bihar, where food security of the rural population depends heavily on the production of rice and wheat. In Bihar, climatic shocks induced by low temperatures and terminal heat stress can significantly affect rice and wheat yields. The present work evaluates the benefit of using the monsoon onset as the date for planting rice in reducing thermal stress on rice-wheat systems. High-resolution gridded crop simulations using the APSIM model were performed to simulate potential yields of rice and wheat using the monsoon onset and the farmers’ practice as planting dates. The monsoon onset was calculated using an agronomic definition and farmers’ practice dates were estimated using satellite data. Model outputs were analyzed in terms of planting dates, yields, and the incidence of low temperature stress on rice and high temperature stress on wheat by means of the APSIM yields limiting factors. The results show that the rice planting and harvest dates using the monsoon onset are in general 20-30 days earlier, decreasing the incidence of thermal stress in rice and wheat, and generating higher and more stable yields. These results can help design mitigation strategies for the impacts of climate shocks induced by low and high temperature events in the context of the advances in sub-seasonal and seasonal forecasting, targeting climate services for farmers in Bihar.

Mineral dust is one of the most important aerosol in mass over the world, affecting health and dynamics. This aerosol is mainly emitted over arid areas but may be long-range transported, impacting the local budget of air quality in many cities. While models were extensively used to study a single specific event, or making a global analysis at coarse resolution, the goal of our study is to simultaneously focus on several areas - Europe, North America, Central Asia, East China and the Caribbean area - for a one month period, March 2014, avoiding any parameter fitting to better simulate a given dust outbreak. The simulation is performed for the first time with the hemispheric version of the CHIMERE model, with a horizontal resolution of 10km. In this study, an overview of several simultaneous dust outbreaks over the north hemisphere is proposed to assess the capability of such modelling tools to predict dust pollution events. A quantitative and qualitative evaluation of the most striking episodes is presented with comparisons to satellite data, ground based Particulate Matter and calcium measurements. Despite some overestimation of dust concentrations far from emission areas, the model is able to simulate the timing of the arrival of dust outbreaks on observational sites. For instance, several spectacular dust storms in the US and China are perfectly captured by the models. The high resolution allows to better describe and understand the orographic effects and the long-range transport of dust plumes.

Modeling is essential to understand better the generative mechanisms responsible for experimental observations gathered from complex systems. In this work, we are using such an approach to analyze the electrocardiogram (ECG). We present a systematic framework to decompose ECG signals into sums of overlapping lognormal components. We used reinforcement learning to train a deep neural network to estimate the modeling parameters from ECG recorded in babies of 1 to 24 months of age. We demonstrate this model-driven approach by showing how the extracted parameters vary with age. After correction for multiple tests, 10 of 24 modeling parameters showed statistical significance below the 0.01 threshold, with absolute Kendall rank correlation coefficients in the [0.27, 0.51] range. We presented a model-driven approach to the analysis of ECG. The impact of this framework on fundamental science and clinical applications is likely to be increased by further refining the modeling of the physiological mechanisms generating the ECG. By improving the physiological interpretability, this approach can provide a window into latent variables important for understanding the heart-beating process and its control by the autonomous nervous system.

Copulas are useful tools for modeling the dependence structure between two or more variables. Copulas are becoming a quite flexible tool in modeling dependence among the components of a multivariate vector, in particular to predict losses in insurance and finance. In this article, we study the dependence structure of some well-known real life insurance data (with two components mainly) and subsequently identify the best bivariate copula to model such a scenario via VineCopula package in R. Associated structural properties of these bivariate copulas are also discussed.

Control over the composition of III-V ternary nanowires grown by the vapor-liquid-solid (VLS) method is essential for bandgap engineering in such nanomaterials and fabrication of functional nanowire heterostructures for a variety of applications. From the fundamental viewpoint, III-V ternary nanowires based on group V intermix (InSbxAs1-x, InPxAs1-x, GaPxAs1-x and many others) present the most difficult case, because the concentrations of highly volatile group V atoms in a catalyst droplet are beyond the detection limit of any characterization technique and therefore principally unknown. Here, we present a model for the vapor-solid distribution of such nanowires, which fully circumvents the uncertainties that remained in the theory so far, and link the nanowire composition to the well-controlled parameters of vapor. The unknown concentrations of group V atoms in the droplet do not enter the distribution, despite of the fact that a growing solid is surrounded by the liquid phase. The model fits quite well the available data on the vapor-solid distributions of VLS InSbxAs1-x, InPxAs1-x and GaPxAs1-x nanowires grown with different catalyst. Even more importantly, it provides a basis for the compositional control of III-V ternary nanowires based on group V intermix, and can be extended over other material systems where two highly volatile elements enter a ternary solid alloy through a liquid phase.

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

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