The energy efficiency of grinding depends on the appropriate selection of cutting conditions, grinding wheel and workpiece material. Additionally, the estimation of specific energy consumption is a good indicator to control the energy consumed during the grinding process. Consequently, this study develops a model of material removal rate to estimate the specific energy consumption based on the measurement of active power consumed in a plane surface grinding of C45K with different thermal treatments and AISI 304. This model identifies and evaluates the power dissipated by sliding, ploughing and chip formation in a industrial-scale grinding process. Furthermore, the instantaneous positions of the abrasive grains during cutting are described to study the material removal rate. The estimation of specific chip formation energy is similar to that described by other authors in laboratory scale, which allows to validate the model and experiments. Finally, the results show that the energy consumed by sliding is the main phenomenon of energy dissipation in industrial-scale grinding process, where it is denoted that sliding energy by volume unity decreases as the depth of cut and speed of workpiece increase.

Physics-informed machine learning (PIML) refers to the emerging area of extracting physically relevant solutions to complex multiscale modeling problems and has enjoyed significant interest from the research community. This paper discusses the recent critical advancements in the PIML domain. Novel methods and applications of domain decomposition in physics-informed neural networks (PINN) in particular are highlighted. Additionally, we explore recent Works toward utilizing neural operator learning to intuit relationships in physics systems traditionally modeled by sets of complex governing equations and solved with expensive differentiation techniques. Finally, expansive applications of traditional physics-informed machine learning and potential limitations are discussed. In addition to summarizing recent work, we propose a novel taxonomic structure to catalog physics-informed machine learning based on how the physics-information is derived and injected into the machine learning process. The taxonomy assumes the explicit objectives of facilitating interdisciplinary collaboration in methodology, thereby promoting a wider characterization of what types of physics-problems are served by the physics-informed learning machines, and assisting in identifying apt targets for future work. To summarize, the major twofold goal of this work is to summarize recent advancements and introduce a taxonomic catalog for applications of physics-informed machine learning.

Outbreaks of Ebola ebolavirus (EBOV) have been associated with high morbidity and mortality. Milestones have been reached recently in the management of EBOV disease (EVD) with licensure of an EBOV vaccine and two monoclonal antibody therapies. However, neither vaccines nor therapies are available for other disease-causing filoviruses. In preparation for such outbreaks, and for more facile and cost-effective management of EVD, we seek a cocktail containing orally available and room temperature stable drugs with strong activity against multiple filoviruses. We previously showed that (bepridil + sertraline) and (sertraline + toremifene) synergistically suppress EBOV in cell cultures. Here we describe steps towards testing these combinations in a mouse model of EVD. We identified a vehicle suitable for oral delivery of the component drugs and determined that, thus formulated the drugs are equally active against EBOV as preparations in DMSO, and they maintain activity upon storage in solution for up to seven days. Pharmacokinetic (PK) studies indicated that the drugs in the oral delivery vehicle are well tolerated in mice at the highest doses tested. Collectively the data support advancement of these combinations to tests for synergy in a mouse model of EVD. Moreover, mathematical modeling based on human oral PK projects that the combinations would be more active in humans than their component single drugs.

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

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.

The limited information available on the structure of complexes involving transcription factors and cognate DNA response elements represents a major obstacle in the quest to understand their mechanism of action at the molecular level. We implemented a concerted structural proteomics approach, which combined hydrogen-deuterium exchange (HDX), quantitative protein-protein and protein-nucleic acid cross-linking (XL), and homology analysis, to model the structure of the complex between the full-length DNA binding domain (DBD) of FOXO4 and its DNA binding element (DBE). The results confirmed that FOXO4-DBD assumes the characteristic forkhead topology shared by these types of transcription factors, but its binding mode differs significantly from those of other members of the family. The results showed that the binding interaction stabilized regions that were rather flexible and disordered in the unbound form. Surprisingly, the conformational effects were not limited only to the interface between bound components but extended also to distal regions that may be essential to recruiting additional factors to the transcription machinery. In addition to providing valuable new insights into the binding mechanism, this project provided an excellent evaluation of the merits of structural proteomics approaches in the investigation of systems that arematerial not directly amenable to traditional high-resolution techniques.

In this paper, we introduce the Prognostics and Health Management of gear bearing system using autoencoder neural networks. Bearings and gears are the most common mechanical components in rotating machines, and their health conditions are of great concern in practice. This study presents an outlier modeling method for forecasting the gear bearing system failure using the health indicators constructed from mechanical signal processing and modeling. Outlier modeling aims to find patterns in data that are significantly different from what is defined as normal. In the unsupervised outlier modeling setting, prior labels about the anomalousness of data points are not available. In such cases, the most common techniques for scoring data points for outlyingness include distance-based methods density-based methods, and linear methods. The conventional outlier modeling methods have been used for a long time to detect anomalous observations in data. However, this paper shows that autoencoders are a very competitive technique compared to other existing methods. The developed method is demonstrated using the IMS bearing data from NASA Acoustics and Vibration Database.

Proper management of solar energy, as an effective renewable source, is of high importance toward sustainable energy harvesting. This paper offers a novel sophisticated method for predicting solar irradiance (SIr) from environmental conditions. To this end, an efficient metaheuristic technique, namely electromagnetic field optimization (EFO) is employed for optimizing a neural network. This algorithm quickly mines a publicly available dataset for non-linearly tuning the network parameters. To suggest an optimal configuration, five influential parameters of the EFO (i.e., N_Pop, R_rate, Ps_rate, P_field, and N_field) are optimized by an extensive trial and error practice. Analyzing the results showed that the proposed model can learn the SIr pattern and predict it for unseen conditions with high accuracy. Furthermore, it provided about 10% and 16% higher accuracy compared to two benchmark optimizers, namely shuffled complex evolution and shuffled frog leaping algorithm. Hence, the EFO-supervised neural network can be a promising tool for the early prediction of SIr in practice. The findings of this research may shed light on the use of advanced intelligent models for efficient energy development.

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

Introduction: Heat is a kinetic process whereby energy flows from between two systems; hot-to-cold objects. In oro-dental implantology, conductive heat transfer/(or thermal stress) is a complex physical phenomenon to analyze and consider in treatment planning. Hence, ample research has attempted to measure heat-production to avoid over-heating during bone-cutting and -drilling for titanium (Ti) implant-site preparation and insertion, thereby preventing/minimizing early (as well as delayed) implant-related complications and failure. Objective: Given the low bone-thermal conductivity whereby heat generated by osteotomies is not effectively dissipated and tends to remain within the surrounding tissue (peri-implant), increasing the possibility of thermal-injury; this work attempts to obtain an exact analytical solution of the heat equation under exponential thermal-stress, modeling transient heat transfer and temperature changes in Ti implants upon hot-liquid intake. Materials and Methods: We investigate the impact of the material, the location point along implant length, and the exposure time of the thermal load on temperature changes. Results: Despite its simplicity, the presented solution contains all the physics and reproduces the key features obtained in previous numerical analyses studies. To the best of knowledge, this is the first introduction of the intrinsic time, a “proper” time that characterizes the geometry of the dental implant, where we show, mathematically and graphically, how the interplay between “proper” time and exposure time influences temperature changes in Ti implants, under the suitable initial and boundary conditions. Conclusions: This work aspires to accurately complement the overall clinical diagnostic and treatment plan for enhanced bone-implant interface, implant stability and success rates, whether for immediate or delayed loading strategies.

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

This paper presents a demonstration of the feasibility of fabricating micro-cantilever harvesters with extended stress distribution and enhanced bandwidth by exploiting an M-shaped two-degrees-of-freedom design. The measured mechanical response of the fabricated device displays the predicted dual resonance peak behavior with the fundamental peak at the intended frequency. This design has the features of high energy conversion efficiency in a miniaturized environment where the available vibrational energy varies in frequency. It makes such a design suitable for future large volume production of integrated self powered sensors nodes for the Internet-of-Things.

A new iboga-vobasine-type isomeric bisindole alkaloid named voacamine A (1), along with eight known compounds, voacangine (2), voacristine (3), coronaridine (4), tabernanthine (5), iboxygaine (6), voacamine (7), voacorine (8), and conoduramine (9), were isolated from the stem bark of Voacanga africana. The structures of the compounds were determined by comprehensive spectroscopic analyses (1D- and 2D-NMR). Compounds 1, 2, 3, 4, 6, 7 and 8 were found to inhibit the motility of both the microfilariae (Mf) and adult male worms of Onchocerca ochengi, in a dose-dependent manner, but were only moderately active on the adult female worms upon biochemical assessment at 30 μM drug concentrations. The IC50 values of the isolates are 2.49-5.49 µM for microfilariae and 3.45-17.87 µM for adult males. Homology modeling was used to generate a 3D model of the the O. ochengi thioredoxin reductase target and docking simulation attempted to offer an explanation of the anti-onchocercal structure-activity relationship (SAR) of the isolated compounds. These alkaloids are new potential leads for the development of antifilirial drugs. The results of this study validate the traditional use of V. africana in the treatment of human onchocerciasis.

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

The semi-logarithmic plot of the cumulative number of cases of epidemics resembles the response of a first-order systems for a step load. This similarity was utilized to develop a first order model that can be used for extracting information about the dynamics of infectious disease epidemics. The developed model was validated using COVID-19 data of China. It was also heuristically fitted to other 13 countries. Obtained results indicated that the model can reliably forecasts the number of infected person, epidemic growth speed towards steady-state condition (process time constant, T), and time to reach steady-state condition (4T). The developed model will help public health authorities in developing more effective control strategies of epidemics.

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).

Bioprocesses for the production of renewable energies and materials lack efficient separation processes for the utilized microorganisms such as algae and yeasts. Dissolved air flotation (DAF) and microflotation are promising approaches to overcome this problem. The efficiency of these processes depends on the ability of microorganisms to aggregate with microbubbles in the flotation tank. In this study, different new or adapted aggregation models for microbubbles and microorganisms are compared and investigated for their range of suitability to predict the separation efficiency of microorganisms from fermentation broths. The complexity of the heteroaggregation models range from an algebraic model to a 2D population balance model (PBM) including the formation of clusters containing several bubbles and microorganisms. The effect of bubble and cell size distributions on the flotation efficiency is considered by applying PBMs, as well. To determine the impact of the model assumptions, the modeling approaches are compared and classified for their range of applicability. Evaluating computational fluid dynamics (CFD) of a DAF system shows the heterogeneity of the fluid dynamics in the flotation tank. Since analysis of the streamlines of the tank show negligible backmixing, the proposed aggregation models are coupled to the CFD data by applying a Lagrangian approach.

The transition from Building Information Modelling (BIM) to Heritage Building Information Modelling (H-BIM) is intended to pursue an adequate knowledge of the artefact that is to be preserved, progressively replacing the traditional methods of the restoration and structural reinforcement projects with new tools for managing both existing information and new interventions. The aim of the paper is to show the application of the H-BIM method to a stone pavement road located in the Archaeological Site of Pompeii. In detail, starting from a Laser Scanner based survey, juxtaposed by coordinated points georeferenced through a total station, points clouds were handled by means of several BIM-based tools to perform the road design process, starting from the digital elevation model (DEM) to the corridor representation. Subsequently, a visual programming application based on Python language was adopted to update corridor information by means of the object property set. As preliminary results, a tool, complete with graphical and non-graphical information, is proposed to be used in conservation, maintenance and restoration project.

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.

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.

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.

The present era of the Internet of Things (IoT) having intelligent functionalities in solving problems pertaining to realtime mission-critical systems has brought an immense revolution in diverse fields including healthcare and navigation systems. However, to the best of our knowledge, the potential of IoT has not been fully exploited yet in the field of the energy sector. We argue that there is an immense need to shift the traditional mission-critical electric power system architecture to IoT-based fully orchestrated architecture in order to increase efficiency, as billions of investment is reserved for the energy sector globally. Since network orchestration deals with auomating the interaction between multiple components involved to execute a particular service, therefore, scheduling the relevant processes within strict deadlines becomes the core pillar of the architecture. The mission-critical systems with urgent task execution often suffer from issues of missing task deadlines. In this study, we present a novel IoT task orchestration architecture for efficient energy management of a nanogrid system that focuses on minimizing the use of nonrenewable energy resources and maximizing the use of renewable energy resources. Moreover, major components of IoT task orchestration such as task mapping and task scheduling are also enhanced using NLP and PSO optimization modules. The proposed task scheduling algorithm incorporates the optimized surplus time, and efficiently executes the energy management-related tasks contemplating to their types. The study utilizes sensors to obtain data from physical IoT devices, including photovoltaic (PV), Energy Storage System (ESS), and diesel generator (DG). The performance of the proposed model is evaluated using data set of nanogrid houses. The outcomes revealed that IoT-task orchestration has played a pivotal role in efficient energy management for nanogrid mission-critical system. Furthermore, the comparison with state-of-the-art scheduling algorithms showed that the task starvation rate is reduced to 16% and 12% when compared with RR and FEF algorithms, respectively.

Evaporation is one of the main processes in the hydrological cycle, and it is one of the most critical factors in agricultural, hydrological, and meteorological studies. Due to the interactions of multiple climatic factors, the evaporation is a complex and nonlinear phenomenon; therefore, the data-based methods can be used to have precise estimations of it. In this regard, in the present study, Gaussian Process Regression (GPR), Nearest-Neighbor (IBK), Random Forest (RF) and Support Vector Regression (SVR) were used to estimate the pan evaporation (PE) in the meteorological stations of Golestan Province, Iran. For this purpose, meteorological data including PE, temperature (T), relative humidity (RH), wind speed (W) and sunny hours (S) collected from the Gonbad-e Kavus, Gorgan and Bandar Torkman stations from 2011 through 2017. The accuracy of the studied methods was determined using the statistical indices of Root Mean Squared Error (RMSE), correlation coefficient (R) and Mean Absolute Error (MAE). Furthermore, the Taylor charts utilized for evaluating the accuracy of the mentioned models. The outcome indicates that the optimum state of Gonbad-e Kavus, Gorgan and Bandar Torkman stations, Gaussian Process Regression (GPR) with the error values of 1.521, 1.244, and 1.254, the Nearest-Neighbor (IBK) with error values of 1.991, 1.775, and 1.577, Random Forest (RF) with error values of 1.614, 1.337, and 1.316, and Support Vector Regression (SVR) with error values of 1.55, 1.262, and 1.275, respectively, have more appropriate performances in estimating PE. It found that GPR for Gonbad-e Kavus Station with input parameters of T, W and S and GPR for Gorgan and Bandar Torkmen stations with input parameters of T, RH, W, and S had the most accurate performances and proposed for precise estimation of PE. Due to the high rate of evaporation in Iran and the lack of measurement instruments, the findings of the current study indicated that the PE values might be estimated with few easily measured meteorological parameters accurately.

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

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 Ituri-Epulu-Aru landscape (IEAL) is experiencing deforestation and forest degradation. This deforestation is at the root of many environmental disturbances in a region characterized by endemism in biodiversity. This article focuses on the triangulation of spatialized prospective scenarios in order to identify future trajectories based on the knowledge of historical dynamics through the diachronic analysis of three satellite images (2003-2010-2014-2016). The scenarios were de-signed in a supervised model implemented in the DINAMICA EGO platform. The three scenarios Business-As-Usual (BAU), Rapid Economic Growth (REG) and Sustainable Management of the Environment (SME), extrapolating current trends, show that by 2061 this landscape will always be dominated forests (+ 84%). Old-growth forests occupy 74.2% of the landscape area in the BAU scenario, 81.4% in the SEM scenario and 61.2% in the REG scenario. The SEM scenario gives hope that restoration and preservation of biodiversity priority habitats is still possible if policy makers become aware of it.

An open source computational fluid dynamics (CFD) solver has been incorporated into the WindNinja modeling framework widely used by wildland fire managers as well as researchers and practitioners in other fields, such as wind energy, wind erosion, and search and rescue. Here we describe incorporation of the CFD solver and evaluate its performance compared to the conservation of mass (COM) solver in WindNinja and previously published large-eddy simulations (LES) for three field campaigns conducted over isolated terrain obstacles of varying terrain complexity: Askervein Hill, Bolund Hill, and Big Southern Butte. We also compare the effects of two important model settings in the CFD solver and provide guidance on model sensitivity to these settings. Additionally, we investigate the computational mesh and difficulties regarding terrain representation. Two important findings from this work are: (1) the choice of discretization scheme for advection has a significantly larger effect on the simulated winds than the choice of turbulence model and (2) CFD solver predictions are significantly better than the COM solver predictions at windward and lee side observation locations, but no difference was found in predicted speed-up at ridgetop locations between the two solvers.

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

During the period January 2014 – October 2018, four strong earthquakes occurred in the Ionian Sea, Greece. A rich aftershock sequence followed each event of them. More analytically, according to the manual solutions of National Observatory of Athens, the first event (K1), occurred on 26 January 2014 in Kefallinia Island with magnitude M_L = 5.8, which was followed by another in the same region (K2) on 3 February 2014 with magnitude M_L = 5.7. The third event occurred on 17 November 2015, M_L = 6.0 in Lefkas Island (L1) and the last on 25 October 2018, M_L = 6.6 in Zande Island (Z1). The first three of these earthquakes caused moderate structural damages mainly in houses and produced particular unrest to the local population. This work presents first the calculation of the source parameters of the strong events as well as for all earthquakes with magnitude M_L > 4.0, using the methodology of the Moment tensor inversion and secondary data from permanent GPS stations were analyzed to confirm the findings from seismological data and to investigate the displacement due to the earthquakes.

Background: Malignant pleural mesothelioma (MPM) is an atypical, belligerent tumor that matures into cancer in the pleura, a stratum of tissue bordering the lungs. Pleural mesothelioma is a common type of mesothelioma that accounts for about 75 percent of all mesothelioma diagnosed yearly in the United States. Diagnosis of mesothelioma takes several months and is expensive. Given the difficulty of diagnosing MPM, early identification is crucial for patient survival. Our study implements artificial intelligence and recommends the best fit model for early diagnosis and prognosis of MPM. Method: We retrospectively retrieved patient’s medical reports generated by Dicle University, Turkey and implemented multi-layered perceptron (MLP), voted perceptron (VP), Clojure classifier (CC), kernel logistic regression (KLR), stochastic gradient decent SGD), adaptive boosting (AdaBoost), Hoeffding tree (VFDT), and primal estimated sub-gradient solver for support vector machine (s-Pegasos). We evaluated the models, compared and tested using paired T-test (corrected) at 0.05 significance based on their respective classification accuracy, f-measure, precision, recall, root mean squared error, receivers characteristic curve (ROC), and precision-recall curve (PRC). Results: In phase-1 SGD, AdaBoost.M1, KLR, MLP, VFDT generates optimal results with the highest possible performance measures. In phase-2, AdaBoost with a classification accuracy of 71.29% outperformed all other algorithms. C-reactive protein, platelet count, duration of symptoms, gender, and pleural protein were found to be the most relevant predictors that can prognosticate mesothelioma. Conclusion: This study confirms that data obtained from biopsy and imagining tests are strong predictors of mesothelioma but are associated with high cost, however, can identify mesothelioma with optimal accuracy. Predictive analytics without using biopsy results can diagnose mesothelioma with acceptable accuracy. Implementation of phase-2 followed by phase-1 can address diagnosis expenses and maximize disease prognosis. Additionally, results indicate improved MPM diagnosis using AI methods dependent upon the specific application.

Human pluripotent stem cells (hPSCs) have become a powerful tool to generate various kinds of cell types comprising the human body. Recently, organoid technology emerged as a platform to build a physiologically relevant tissue-like structure from the PSCs, which provides a more relevant three-dimensional microenvironment to the actual human body than the conventional monolayer culture system for transplantation, disease modeling, and drug development. Although it holds so many advantages, the organoid culture system still has various problems related to culture methods, which became a challenge to get similar physiological properties to their original tissue counterparts. Here, we discuss the current development of organoid culture methods, including the problem that may arise from the currently available culture systems as well as the possible approach to overcoming the current limitation and improving their optimum utilization for translational application purposes.

The key goal of the current study was to determine suitable areas of water pumping for drinking and agricultural harvest in Tabriz aquifer, locateed in East Azerbaijan province, northwest Iran. In the study area, groundwater is the key foundation of water for drinking and farming requirements. Groundwater compatibility study was conducted by analysing Electrical conductivity (EC), Total dissolved solids (TDS), Chloride (Cl), Calcium (Ca), Magnesium (Mg), Sodium (Na), Potassium (K), Sulfate (SO₄), Total hardness (TH), Bicarbonate (HCO₃), pH, carbonate (CO₃) and Sodium Adsorption Ratio (SAR) obtained from 39 wells in the period of 2003 to 2014. For this purpose, the Water Quality Index (WQI) and irrigation water quality (IWQ) index is respectively utilized. The WQI index zoning exposed that the groundwater of the study area for drinking purposes is categorized as excellent, good and poor water. Most drinking water harvested for urban and rural areas are in the class of "excellent water". IWQ index average for the study area was in the range of 25.9 to 34.55. The results revealed that about 37 percent (296 km²) of groundwater has high compatibility, and 63 percent of the study area (495 km²) has average compatibility for agricultural purposes. The trend of IWQ and WQI indexes demonstrates that the groundwater is getting worse over the time.

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.

Iyer Markoulakis Helmholtz Hamiltonian mechanics formalisms mathematically modeled physics with vortex rotational fields acting with gradient fields, typically in zero-point microblackhole general fields. Here, Helmholtz metrics have been gaged to Coulombic Hilbert metrics, representing Gilbertian and Amperian natures of electromagnetic fields out of the mechanical fields from Helmholtz Hamiltonian mechanics. This ansatz general gaging helps to properly isolate field effects – mechanical, electric, magnetic components within the analytical processes. Vacuum gravitational fields and the flavor Higgs-Boson matter inertial gravitational fields have been thus quantified extending to stringmetrics constructs matrix showing charge asymmetry gage metrics, having the power to analyze dark energy superluminal phase, dark matter luminal phase, and light matter subluminal phase. Interpreting particle physics gage matrix pointing to Dirac seas electrons, monopoles with positrons, electron-positron annihilation leading to energy production, relativistic energy generating matter, and both monopoles – vacuum and compressed out of vortex Helmholtz decomposition fields have been interpolated. Quantum ASTROPHYSICS gage metrix posits superluminal profile of signals velocity generating electron-positron chain like “curdling” action that is consistent with physics literature reporting nature electron photon observed oscillatory fields configurations. This helps proposing creation of neutrino antineutrino pair orthogonal to electron positron “curdling” planes, that may lead to formation of protonic hydrogen of stars or orthogonally muon. These aspects will explain receding or fast expanding universe with dark matter in terms of flavor metrics versus gage associating metrics flavor. Additional interpretations of virtual gravitational dipoles that have gravitational charge of opposite signs, reported per physics literature at Planck dimensions, that may originate at the center of supermassive blackhole. On the other hands, vacuum monopoles occur probably at infinity with cosmos extent.

COVID-19 is one of the deadliest respiratory diseases, and its emergence caught the pharmaceutical industry off guard. While vaccines have been rapidly developed, treatment options for infected people remain scarce, and COVID-19 poses a substantial global threat. This study presents a novel workflow to predict robust druggable targets against emerging RNA viruses using metabolic networks and information of the viral structure and its genome sequence. For this purpose, we implemented pymCADRE and PREDICATE to create tissue-specific metabolic models, construct viral biomass functions and predict host-based antiviral targets from more than one genome. We observed that pymCADRE reduces the computational time of flux variability analysis for internal optimizations. We applied these tools to create a new metabolic network of primary bronchial epithelial cells infected with SARS-CoV-2 and identified enzymatic reactions with inhibitory effects. The most promising reported targets were from the purine metabolism, while targeting the pyrimidine and carbohydrate metabolisms seemed to be promising approaches to enhance viral inhibition. Finally, we computationally tested the robustness of our targets in all known variants of concern, verifying our targets’ inhibitory effects. Since laboratory tests are time-consuming and involve complex readouts to track processes, our workflow focuses on metabolic fluxes within infected cells and is applicable for rapid hypothesis-driven identification of potentially exploitable antivirals concerning various viruses and host cell types.

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

Deep behavioral covariates (DBCs) introduced in this perspective form a new class of covariates that have the potential to enhance the performance of predictive models and improve analytics in clinical decision support applications. DBCs can measure how engaged a patient tends to be and how he or she tends to respond to events, and they may be highly predictive of the patient’s outcomes for a planned treatment. DBCs may potentially serve as a standard to measure patient engagement and activation and may form highly efficient mechanisms for improving patient outcomes.

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

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

Freeze-drying is a well-established process in biomedical engineering for the fabrication of three-dimensional open-porous medical devices, especially those based on biopolymers. One of the most used biopolymers in this field is collagen, the most abundant protein in the human body and the main component of the extracellular-matrix, as well as its derivatives. Freeze-dried collagen-based sponges with a wide variety of attributes can be produced by design and have led to a wide range of successful commercial medical devices, foremost for dental, orthopedic, hemostatic and neuronal applications. However, this is still considered a high-cost and time-consuming process that is often used in a non-optimized manner. By combining advances in other technological fields, the opportunity arises to further evolve this process in a sustainable manner, and optimize the resulting products as well as create new opportunities in this field.

The usage of Quantum Similarity through the equation Z = {∀θ ∈ Z → ∃s ∈ S ∧ ∃t ∈ T : θ = (s, t)}, represents a way to analyze the way communication works in our DNA. Being able to create the object set reference for z being (s, t) in our DNA strands, we are able to set logical tags and representations of our DNA in a completely computational form. This will allow us to have a better understanding of the sequences that happen in our DNA. With this approach, we can also utilize mathematical formulas such as the Euler–Mascheroni constant, regression analysis, and computational proofs to answer important questions on Quantum biology, Quantum similarity, and Theoretical Physics.

Integrated Model of Distributed Systems is used for modeling and verification. In formalism, the distributed system is modeled as a collection of server states and agent messages. The evolution of the system takes the form of actions that transform the global system configuration (states and messages) into a new configuration. Formalism is used in the Dedan verification environment for finding different kinds of deadlocks: communication deadlocks in the server view and resource deadlocks in the agent view. For other purposes, a conversion has been developed to equivalent models: to Petri nets for structural analysis and do Distributed Autonomous and Asynchronous Automata (DA3) for easy graphical modeling in terms of system components. In addition, it is possible to simulate a verified system on distributed components in DA3. The automata have two forms: Server-DA3 (S-DA3) for the server view and Agent-DA3 (A-DA3) for the agent view. DA3 formalism is compared to other concepts of distributed automata known from the literature.

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

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

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

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

The 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.

Alpha-fetoprotein (AFP) is a major embryo- and tumor-associated protein capable of binding and transporting variety of hydrophobic ligands including estrogens. AFP has been shown to inhibit estrogen receptor (ER)-positive tumor growth and this can be attributed to its estrogen-binding ability. Despite AFP has long been investigated, its three-dimensional (3D) structure has not been experimentally resolved and molecular mechanisms underlying AFP-ligand interaction remain obscure. In our study we constructed homology-based 3D model of human AFP (HAFP) with the purpose to perform docking of ERα ligands, three agonists (17β-estradiol, estrone and diethylstilbestrol) and three antagonists (tamoxifen, afimoxifene and endoxifen) into the obtained structure. Based on ligand docked scoring function, we identified three putative estrogen- and antiestrogen-binding sites with different ligand binding affinities. Two high-affinity sites were located in (i) a tunnel formed within HAFP subdomains IB and IIA and (ii) opposite side of the molecule in a groove originating from cavity formed between domains I and III, while (iii) the third low-affinity site was found at the bottom of the cavity. 100 ns MD simulation allowed studying their geometries and showed that HAFP-estrogen interactions occur due to van der Waals forces, while both hydrophobic and electrostatic interactions were almost equally involved in HAFP-antiestrogen binding. MM/GBSA rescoring method estimated binding free energies (ΔG_bind) and showed that antiestrogens have higher affinities to HAFP as compared to estrogens. We performed in silico point substitutions of amino acid residues to confirm their roles in HAFP-ligand interactions and showed that Thr132, Leu138, His170, Phe172, Ser217, Gln221, His266, His316, Lys453, and Asp478 residues along two disulfide bonds, Cys224-Cys270 and Cys269-Cys277 have key roles in both HAFP-estrogen and HAFP-antiestrogen binding. Data obtained in our study contribute to understanding mechanisms underlying protein-ligand interactions and anti-cancer therapy strategies based on ER-binding ligands.

The availability of rail infrastructure resources is a major driver of rail operations performance. To evaluate the impact of infrastructure provision, network simulation models can be used to accurately represent train traffic behavior in a wide range of scenarios. However, performing this task can result in a problem of high combinatorial nature as the number of factors and their associated levels increase. This requires more sophisticated techniques such as experimental design formulations or optimization modeling in order to yield satisfactory results. Yet the research in network simulation models for rail systems has hitherto been limited to simple what-if analysis, made up from few factors that cannot represent the whole spectrum of interventions. This is especially critical in closed-loop rail systems where trains are subject to various interferences. Local improvements can be misleading as the queues are merely transferred within the network. Considering this, we propose a hybrid simulation-optimization model to aid the strategic decision of minimizing supplementary capital costs in a heavy-haul Brazilian railroad under construction. As soon as the railroad is completed, investments in both loading and unloading rail terminals will be necessary. First, we developed a representative and flexible model capable of dealing with complex relations between variable infrastructure provision and the resulting operational performance. Then, we simulated this system to prove that the current set of proposed infrastructure resources cannot meet the transportation demands. Afterwards, we demonstrate that local improvements can be delusive as the queues are shifted from loading to unloading operations, reciprocally. Then, we solve an optimization model to define the minimal supplementary investment in order to meet the commercial goals of mining companies. This is done by choosing the best trackage configuration, equipment quantity and capacity and fleet sizing in 3 different production scenarios. The best values of the objective function were found by improving both loading and unloading equipment and increasing the number of trains.

This work presents some characteristics of MoNet, a computerized platform for the modeling and visualization of complex systems. Emphasis is on the ideas that allowed the successful progressive development of this modeling platform, which goes along with the implementation of applications to the modeling of several studied systems. The platform has the capacity to represent different aspects of systems modeled at different observation scales. This tool offers advantages in the sense of favoring the perception of the phenomenon of the emergence of information, associated with changes of scale. Some criteria used for the construction of this modeling platform are included. The power of current computers has made practical representing graphic resources such as shapes, line thickness, overlaying-text tags, colors and transparencies, in the graphical modeling of systems made up of many elements. By visualizing diagrams conveniently designed to highlight contrasts, these modeling platforms allow the recognition of patterns that drive our understanding of systems and their structure. Graphs that reflect the benefits of the tool regarding the visualization of systems at different scales of observation are presented to illustrate the application of the platform.

Water reuse for irrigation is increasingly recognized as an essential and economical strategy in areas with water scarcity. A simple, low-cost, low-maintenance, and highly efficient Pond-In-Pond (PIP) treatment system can be used for wastewater reuse. PIP is a treatment technology in which two types of ponds -- anaerobic and aerobic -- are combined into a single pond and consist of a deeper inner section entirely submerged within the outer pond. Previous studies on PIPs and PIP-like systems have reinforced the potential for reuse through promising performance results with BOD removal over 80% and a reduction in land area requirements by approximately 40%. Yet, no prior efforts have been made to understand the performance mechanism of such systems. This study makes use of two, 2-D modeling tools in developing a fundamental understanding of PIP flow dynamics and the expected performance. The modeling results showed that the PIP configuration offers improved flow diversion along with reduced flow velocity. Additionally, the PIP retained approximately 17% more (p<0.05) particles than the traditional pond with most of the particles concentrated within the inner pond. Lower velocity and the higher solids retention in the PIP thus allowed for better treatment performance compared to traditional ponds. The findings from this study can be used as preliminary data for future in-depth investigations of the PIP system leading toward effective and optimal designs. This will help address the major societal concern of water scarcity with low-cost and effective wastewater treatment.

Although work events can be regarded as pivotal elements of organizational life, only a few studies have examined how positive and negative events relate to and combine to affect work engagement over time. Theory suggests that to better understand how current events affect work engagement (WE), we have to account for recent events that have preceded these current events. We present competing theoretical views on how recent and current work events may affect employees (e.g., getting used to a high frequency of negative events or becoming more sensitive to negative events). Although the occurrence of events implies discrete changes in the experience of work, prior research has not considered whether work events actually accumulate to sustained mid-term changes in WE. To address these gaps in the literature, we conducted a week-level longitudinal study across a period of 15 consecutive weeks among 135 employees, which yielded 849 weekly observations. While positive events were associated with higher levels of WE within the same week, negative events were not. Our results support neither satiation nor sensitization processes. However, high frequencies of negative events in the preceding week amplified the beneficial effects of positive events on WE in the current week. Growth curve analyses show that the benefits of positive events accumulate to sustain high levels of WE. WE dissipates in the absence of continuous experience of positive events. Our study adds a temporal component and informs research that has taken a feature-oriented perspective on the dynamic interplay of job demands and resources.

Jumping side volley has created breathtaking moments and cherished memories for us. Regrettably, a scientific study on the skill has not been found in literature. Relying on talent of athletes to improvise on the fly can hardly be considered a viable learning strategy. This study targets to fill the gap by quantifying factors contributing to develop its coaching method. Using 3D motion capture (12-cameras, 200Hz) and full-body biomechanical modeling, our study aimed to identify elements that govern entrainment of the skill by examining jumping, kicking and falling phases of its execution. Given the rarity of players who have acquired this skill, we found five subjects for the study. Twenty-three trials were captured and quantified. The results unveil the following key elements: 1) the control of trunk rotation during the jumping, 2) the angle between thighs upon take-off, 3) the whip-like control of the kicking leg during airborne, 4) timing between ball motion and limbs’ coordination, and 5) damping mechanism during falling. An accurate kick can only be achieved through repetitive training. This underlines the need for athletes to master a safe landing technique that minimizes risk of injury during practice. Therefore, training should begin with learning a safe falling technique.

Residual stress (RS) is the most challenging problem in metal additive manufacturing (AM) since the build-up of high tensile RS may influence the fatigue life, corrosion resistance, crack initiation, and failure of the additively manufactured components. While tensile RS is inherent in all the AM processes, fast and accurate prediction of stress state within the part is extremely valuable and would result in optimization of the process parameters in achieving a desired RS and control of the build process. This paper proposes a physics-based analytical model to rapidly and accurately predict the RS within the additively manufactured part. In this model, a transient moving point heat source (HS) is utilized to determine the temperature field. Due to the high temperature gradient within the proximity of the melt pool area, material experience high thermal stress. Thermal stress is calculated by combining three sources of stresses known as stresses due to the body forces, normal tension, and hydrostatic stress in a homogeneous semi-infinite medium. The thermal stress determines the RS state within the part. Consequently, by taking the thermal stress history as an input, both the in-plane and out of plane RS distributions are found from incremental plasticity and kinematic hardening behavior of the metal by considering volume conservation in plastic deformation in coupling with the equilibrium and compatibility conditions. In this modeling, material properties are temperature-sensitive since the steep temperature gradient varies the properties significantly. Moreover, the energy needed for the solid-state phase transition is reflected by modifying the specific heat employing the latent heat of fusion. Furthermore, the multi-layer and multi-scan aspects of metal AM are considered by including the temperature history from previous layers and scans. Results from the analytical RS model presented excellent agreement with XRD measurements employed to determine the RS in the Ti-6Al-4V specimens.

Specialized classes of proteins, working together in a tightly orchestrated manner, induce and maintain highly curved cellular and organelles membrane morphology. Due to the various ex- perimental constraints, including the resolution limits of imaging techniques, it is non-trivial to accurately elucidate interactions among the various components involved in membrane deformation. The spatial and temporal scales of the systems also make it formidable to investigate them using simulations with molecular details. Interestingly, mechanics-based mesoscopic models have been used with great success in recapitulating the membrane defor- mations observed in experiments. In this review, we collate together and discuss the various mechanics based mesoscopic models for protein-mediated membrane deformation studies. In particular, we provide an elaborate description of a mesoscopic model where the membrane is modeled as a triangulated sheet and proteins are represented as either nematics or fila- ments. This representation allows us to explore the various aspects of protein-protein and protein-membrane interactions as well as examine the underlying mechanistic pathways for emergent behavior such as curvature-mediated protein localization and membrane deforma- tion. We also put forward current efforts in the field towards back-mapping these mesoscopic models to finer-grained particle based models - a framework that could be used to explore how molecular interactions propagate to physical scales and vice-versa. We end the review with an integrative-modeling based road map where experimental imaging micrograph and biochemical data are combined with mesoscopic and molecular simulations methods in a theoretically consistent manner to faithfully recapitulate the multiple length and time scales in the membrane remodeling processes.

This article presents a comprehensive framework for valuing financial instruments subject to credit risk. In particular, we focus on the impact of default dependence on asset pricing, as correlated default risk is one of the most pervasive threats in financial markets. We analyze how swap rates are affected by bilateral counterparty credit risk, and how CDS spreads depend on the trilateral credit risk of the buyer, seller, and reference entity in a contract. Moreover, we study the effect of collateralization on valuation, since the majority of OTC derivatives are collateralized. The model shows that a fully collateralized swap is risk-free, whereas a fully collateralized CDS is not equivalent to a risk-free one.

Intercellular transport of auxin is driven by PIN-formed (PIN) proteins. PINs are localized at the plasma membrane (PM) and on constitutively recycling endomembrane vesicles. Therefore, PINs can mediate auxin transport either by direct translocation across the PM or by pumping it into secretory vesicles (SVs), leading to its secretory release upon fusion with the PM. Which of these two mechanisms dominates is a matter of debate. Here we addressed the issue with a mathematical modeling approach. We demonstrate that the efficiency of secretory transport depends on SV size, half-life of PINs on the PM, pH, exocytosis frequency and PIN density. 3D-SIM microscopy was used to determine PIN density on the PM. Combing this data with published values of the other parameters, we show that the transport activity of PINs in SVs would have to be at least 1000x greater than on the PM in order to produce a comparable macroscopic auxin transport. If both transport mechanisms operated simultaneously and PINs were equally active on SVs and PM, the contribution of secretion to the total auxin flux would be negligible. In conclusion, while secretory vesicle-mediated transport of auxin is intriguing and theoretically possible model, it unlikely to be a major mechanism of auxin transport in planta.

The eastern subterranean termite, Reticulitermes flavipes, currently inhabits previously glaciated regions of the northeastern U.S., as well as the unglaciated southern Appalachian Mountains and surrounding areas. We hypothesized that Pleistocene climatic fluctuations have influenced the distribution of R. flavipes, and thus the evolutionary history of the species. We estimated contemporary and historical geographic distributions of R. flavipes by constructing Species Distribution Models (SDM). We also inferred the evolutionary and demographic history of the species using mitochondrial (cytochrome oxidase I and II) and nuclear (endo-beta-1,4-glucanase) DNA sequence data. To do this, genetic populations were delineated using Bayesian spatial genetic clustering, competing hypotheses about population divergence were assessed using approximate Bayesian computation (ABC), and changes in population size were estimated using Bayesian skyline plots. SDMs identified areas in the north with suitable habitat during the transition from the Last Interglacial to the Last Glacial Maximum, as well as an expanding distribution from the mid-Holocene to the present. Genetic analyses identified three geographically cohesive populations, corresponding with northern, central, and southern portions of the study region. Based on ABC analyses, divergence between the Northern and Southern populations was the oldest, estimated to have occurred 64.80 thousand years ago (kya), which corresponds with the timing of available habitat in the north. The Central and Northern populations diverged in the mid-Holocene, 8.63 kya, after which the Central population continued to expand. Accordingly, phylogeographic patterns of R. flavipes in the southern Appalachians appear to have been strongly influenced by glacial-interglacial climate change.

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.

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

The stick-free flight stability is an old-fashioned and non-progressive issue; nevertheless, it is still existent, and of significant importance to the design of aircraft whose control system is reversible. The problem’s existence necessitates a deep assessment of stick-free flight stability throughout the aircraft design. Up to now, this problem has been addressed using either analytical approaches, which are only related to the static stability evaluation, or performing flight tests. In this study, the problem is handled in its entirety, from static and dynamic flight stability assessment to design criteria with a comprehensive perspective. Moreover, it is also exhibited that contrary to what has been generally proposed in the literature, limiting the problem of stick-free flight stability through static stability assessment is far from the main challenge. As a brief scope, the derivation of the control surface dynamics, a stick-free trim algorithm, and assessment rationale of the stick-free static and dynamic flight stability using a simulation approach are proposed. As a consequence, the aim is to set a broad understanding for designers related to this phenomenon and add adjunct design criteria in the design optimization process by approaching it in terms of modeling, simulation, and flight test perspective.

The paper describes an algorithm for semantic representation of behavioral contexts relative to a dichotomic decision alternative. The contexts are represented as quantum qubit states in two-dimensional Hilbert space visualized as points on the Bloch sphere. The azimuthal coordinate of this sphere functions as a one-dimensional semantic space in which the contexts are accommodated according to their subjective relevance to the considered uncertainty. The contexts are processed in triples defined by knowledge of a subject about a binary situational factor. The obtained triads of context representations function as stable cognitive structure at the same time allowing a subject to model probabilistically-variative behavior. The developed algorithm illustrates an approach for quantitative subjectively-semantic modeling of behavior based on conceptual and mathematical apparatus of quantum theory.

Pure orbital blowout fractures occur within the confines of the internal orbital wall. Restoration of orbital form and volume is paramount to prevent functional and esthetic impairment. The anatomical peculiarity of the orbit has encouraged surgeons to develop implants with customized features to restore its architecture. This has resulted in worldwide clinical demand for patient-specific implants (PSIs) designed to fit precisely in the patient's unique anatomy. Fused filament fabrication (FFF) three-dimensional (3D) printing technology has enabled the fabrication of implant-grade polymers such as Polyetheretherketone (PEEK), paving the way for a more sophisticated generation of biomaterials. This study evaluates the FFF 3D printed PEEK orbital mesh customized implants with a metric considering the relevant design, biomechanical, and morphological parameters. The performance of the implants is studied as a function of varying thicknesses and porous design constructs through a finite element (FE) based computational model and a decision matrix based statistical approach. The maximum stress values achieved in our results predict the high durability of the implants, and the maximum deformation values were under one-tenth of a millimeter (mm) domain in all the implant profile configurations. The circular patterned implant (0.9 mm) had the best performance score. The study demonstrates that compounding multi-design computational analysis with 3D printing can be beneficial for the optimal restoration of the orbital floor.

Many causal factors to marine traffic accidents (MTA) influence each other and have associated effects. It is necessary to quantify the correlation path mode of these factors to improve accident prevention measures and their effects. In the application of human factors to the accident mechanisms, the complex structural chains on causes to MTA systems were analyzed combining the Human Failure Analysis and Classification System (HFACS) with theoretical Structural Equation Modeling (SEM). First, the accident causation model was established as a human error analysis classification in sight of MTA, and the constituent elements of the causes of accident was conducted. Second, a hypothetical model of Human factors classification was proposed applying the practice of the structural model. Third, with the data resource from ship accident cases, this hypothetical model was discussed and simulated, and as a result the relationship path dependency mode between the latent independent variable of the accident was quantitatively analyzed based on the observed dependent variable of human behaviors. Application examples show that relationships in HFACS are verified and in line with the path developing mode, and resource management factors have a pronounced influence and a strong relevance to the causal chain of the accidents. Appropriate algorithms for the theoretical model can be used to numerically understand the safety performance of marine traffic systems under different parameters through mathematical analysis. Hierarchical assumptions in the HFACS model are quantitatively verified.

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.

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

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.

olten salt reactors (MSRs) utilize salts as coolant or as the fuel and coolant together with fissile isotopes dissolved in the salt. It is necessary to therefore understand the behavior of the salts to effectively design, operate, and regulate such reactors, and thus there is a need for thermodynamic models for the salt systems. Molten salts, however, are difficult to represent as they exhibit short range order that is dependent on both composition and temperature. A widely useful approach is the modified quasichemical model in the quadruplet approximation that provides for consideration of first and second nearest neighbor coordination and interactions. Its use in the CALPHAD ap-proach to system modeling requires fitting parameters using standard thermodynamic data such as phase equilibria, heat capacity, and others. Shortcoming of the model is its inability to directly vary coordination numbers with composition or temperature. Another issue is the difficulty in fitting model parameters using regression methods without already having very good initial values. The proposed paper will discuss these issues and note some practical methods for the effective genera-tion of useful models.

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.

This work presents a novel approach to construct surrogate models of parametric Differential Algebraic Equations based on a tensor representation of the solutions. The procedure consists in building simultaneously, for every output of the reference model, an approximation given in tensor-train format. A parsimonious exploration of the parameter space coupled with a compact data representation allows to alleviate the curse of dimensionality. The approach is thus appropriate when many parameters with large domains of variation are involved. The numerical results obtained for a nonlinear elasto-viscoplastic constitutive law show that the constructed surrogate model is sufficiently accurate to enable parametric studies such as the calibration of material coefficients.

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

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

COVID-19 has been extremely difficult to control. The lack of understanding of key aspects of pandemics has affected virus transmission. On the other hand, there is a demand to incorporate Computational Thinking (CT) in the curricula with applications in STEM. However, there are still no exemplars in the curriculum that apply CT to real-world problems such as controlling a pandemic or other similar global crises. In this paper, we fill this gap by proposing exemplars of CT for modeling the pandemic. We designed exemplars following the three pillars of the APEC InMside framework for CT: algorithmic thinking, computational modeling, and machine learning. For each pillar, we designed a progressive sequence of activities that covers from elementary to high school. In an experimental study with elementary and middle school students from 2 schools of high vulnerability, we found that the computational modeling exemplar can be implemented by teachers and correctly understood by students. We conclude that it is feasible to introduce the exemplars at all grade levels, and that this is a powerful example of STEM integration that helps reflect and tackle real-world and challenging public health problems of great impact for students and their families.

Medical Trust-Network is one of the most promising fields of study in network science. Establishment of trust within medical entities ensures better treatment and increases better medical facilities. The word ‘Trust’ signifies a very important behavioral aspect between any human entities, especially among doctors and patients. To represent such relationships Trust Network Models are built to express the interactions between human entities within such networks. Though the idea of a Trust-Network has traditionally been one of the major areas of research, yet the concept of a medical trust network model is relatively a new domain. In this paper, we introduce an overall multilayered Trust Network to represent the entire healthcare architecture. More specifically our model is based on an evolutionary graph system with a discrete relationship between the three most important entities of any healthcare system, namely – Doctors, Departments, and Hospitals. Observations indicate that based on our model, the medical healthcare system is a multilayered model unlike a feed-forward model as indicated by previous studies.

The building sector accounts for nearly 40% of total primary energy consumption in the U.S. and E.U. and 20% of worldwide delivered energy consumption. Climate projections predict an increase of average annual temperatures between 1.1-5.4°C by 2100. As urbanization is expected to continue increasing at a rapid pace, the energy consumption of buildings is likely to play a pivotal role in the overall energy budget. In this study we used EnergyPlus building energy models to estimate the future energy demands of commercial buildings in Salt Lake County, Utah, USA, using locally-derived climate projections. We found significant variability in the energy demand profiles when simulating the study buildings under different climate scenarios, based on the energy standard the building was designed to meet, with reductions ranging from 10% to 60% in natural gas consumption for heating and increases ranging from 10% to 30% in electricity consumption for cooling. A case study, using projected 2040 building stock, showed a weighted average decrease in heating energy of 25% and an increase of 15% in cooling energy. We also found that building standards between ASHRAE 90.1-2004 and 90.1-2016 play a comparatively smaller role than variation in climate scenarios on the energy demand variability within building types. Our findings underscore the large range of potential future building energy consumption which depend on climatic conditions, as well as building types and standards.

Tailed phages are the most abundant and diverse group of viruses on the planet. Yet, the smallest tailed phages display relatively complex capsids and large genomes compared to other viruses. The lack of tailed phages forming the common icosahedral capsid architectures T = 1 and T = 3 is puzzling. Here, we extracted geometrical features from high-resolution tailed phage capsid reconstructions and built a statistical model based on physical principles to predict the capsid diameter and genome length of the missing small tailed phage capsids. We applied the model to 3,348 isolated tailed phage genomes and 1,496 gut metagenome-assembled tailed phage genomes. Four isolated tailed phages were predicted to form T = 3 icosahedral capsids, and twenty-one metagenome-assembled tailed phages were predicted to form T < 3 capsids. The smallest capsid predicted was a T = 4/3 ≈ 1.33 architecture. No tailed phages were predicted to form the smallest icosahedral architecture, T = 1. We discuss the feasibility of the missing T = 1 tailed phage capsids and the implications of isolating and characterizing small tailed phages for viral evolution and phage therapy.

Transient flows result in unbalanced forces and high pressure in pipelines. Under these conditions, the combined effects of flow-induced forces along with sudden pipe displacements can create cracks in the pipeline, especially at the junctions. This situation consequently results in water leakage and reduced operational efficiency of the pipeline. In this study, displacements and stresses in a buried pressurized water transmission pipe installed by pipe jacking method are investigated using numerical modeling and considering interactions between fluid, pipe, and soil. The analyses were performed consecutively under no-flow, steady flow, and transient flow conditions, in order to investigate the effects of flow conditions on displacements and stresses in the system. Analyses of the results show that displacements and stresses in the jointed concrete pipes are significant under transient flow conditions. Moreover, because of pressure transient effects, maximum tensile stresses exceed the tensile strength of concrete at the junctions, leading to cracks and consequent water leakage.

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

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.

Using a three-dimensional, hydrostatic, primitive-equation ocean model, this study investigates the dynamics of lateral circulation in a partially stratified tidal inlet, the Barataria Pass in the Gulf of Mexico, over a 25.6-hour diurnal tidal cycle. Model performance is assessed against observational data. During flood tide, the lateral circulation exhibits the characteristics similar to that induced by differential advection, i.e., lateral flow consists of two counter-rotating cells and is convergent at the surface. The analysis of momentum balance indicates that, in addition to the pressure gradient and vertical stress divergence, nonlinear advection and horizontal stress divergence are also important contributors. During ebb phase, the lateral circulation is mostly eastward for the whole water column and persisting for almost the whole period. The surface divergence suggested by the differential advection mechanism lasts for a very short period, if it ever exists. The main momentum balance across most of the transect during ebb is between the along-channel advection of cross-channel momentum and pressure gradient. The sectional averaged lateral velocity magnitude during ebb is comparable to that during flood, which is different from the idealized numerical experiment result.

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

Since December 2019, the coronavirus disease (COVID-19) has rapidly spread worldwide. The Mexican government has implemented public safety measures to minimize the spread of the virus. In this paper, the authors use statistical models in two stages to estimate the total number of coronavirus (COVID-19) cases per day at the state and national level in Mexico. Two types of models are proposed: first, a polynomial model of the growth for the first part of the outbreak until the inflection point of the pandemic curve and then a second nonlinear growth model is used to estimate the middle and the end of the outbreak. Model selection will be performed using Vuong’s test. The proposed models show overall fit similar to predictive models (e.g. time series, and machine learning); however, the interpretation of parameters is less complex for decision-makers and the residuals follow the expected distribution when fitting the models without autocorrelation being an issue.

Reservoir computers (RCs) are a biology inspired computational framework for signal processing typically implemented using recurrent neural networks. Recent work has shown that Boolean networks (BN) can also be used as reservoirs. We analyze the performance of BN RCs, measuring their flexibility and identifying factors that determine effective approximation of Boolean functions that are applied in a sliding-window fashion over a binary signal, either non-recursively or recursively. We train and test BN RCs of different sizes, signal connectivity, and in-degree to approximate 3-bit, 5-bit and 3-bit recursive binary functions. We analyze how BN RC parameters and function average sensitivity, a measure of function smoothness, affect approximation accuracy as well as the spread of accuracies for a single reservoir. We found that approximation accuracy and reservoir flexibility are highly dependent on RC parameters. Overall, our results indicate that not all reservoirs are equally flexible and RC instantiation and training can be more efficient if this is taken into account. The optimum range of RC parameters opens up an angle of exploration for understanding how biological systems might be tuned to balance system restraints with processing capacity.

This paper addresses the study of the stress field in composites continua with the multiscale approach of the DECM (Discrete Element modeling with the Cell Method). The analysis focuses on composites consisting of a matrix with inclusions of various shapes, to investigate whether and how the shape of the inclusions changes the stress field. The purpose is to provide a numerical explanation for some of the main failure mechanisms of concrete, which is precisely a composite consisting of a cement-based matrix and aggregates of various shapes. Actually, while extensive experimental campaigns detailed the shape effect of concrete aggregates in the past, so far it has not been possible to model the stress field within the inclusions and on the interfaces accurately. The reason for this lies in the limits of the differential formulation, which is the basis of the most commonly used numerical methods. The Cell Method (CM), on the contrary, is an algebraic method that provides descriptions up to the micro-scale, independently of the presence of rheological discontinuities or concentrated sources. This makes the CM useful for describing the shape effect of the inclusions, on the micro-scale. When used together with a multiscale approach, it also models the macro-scale behavior of periodic composite continua, without losing accuracy on the micro-scale. The DECM uses discrete elements precisely to provide the CM with a multiscale approach.

Most of the existing studies conducted on FRP-confined concrete considered circular and square concrete columns, while limited studies were on columns with rectangular sections. The studies have confirmed that the circular cross-sections exhibited higher confinement effectiveness, whereas in the case of non-circular cross-sections the efficiency of FRP confinement decreases with an increase of the sectional aspect ratio and there is no significant increase, particularly for columns with the aspect ratio of 2.0. As recently suggested by the researchers, to significantly increase the effectiveness of FRP-confinement for these columns is by modifying a rectangular section to an elliptical or oval section. According to the literature, most of the existing confinement models for FRP-confined concrete under axial compression have been proposed for columns with circular and rectangular cross-sections. However, modeling the axial strength and strain of concrete confined with FRP in elliptical cross-sections under compression is most limited. Therefore, this paper provides new expressions based on limited experimental data available in the literature. For a sufficient amount of FRP-confinement, the threshold value was proposed to be 0.02. Finally, the accuracy of the proposed model was verified by comparing its predictions with the same test database, together with those from the existing models.

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

Context: Anomaly detection in a data center is a challenging task, having to consider different services on various resources. Current literature shows the application of artificial intelligence techniques to either log files or monitoring data: the former created by services at run time, while the latter produced by specific sensors directly on the physical or virtual machine. Objectives: We propose a model that exploits information both in log files and monitoring data to identify patterns and detect anomalies over time. Methods: The key idea is to use on one side natural language processing solutions to detect problems at service level, extracting words that represent anomalies. Clustering and topic modeling techniques have been used to identify patterns and group them with respect to topics. On the other side time series anomaly detection technique has been applied to sensors data in order to combine problems found in the log files with problems stored in the monitoring data. Results: We have tested our approach on a real data center equipped with log files and monitoring data that can characterize the behaviour of physical and virtual resources in production. We have observed a correspondence between anomalies in log files and monitoring data, e.g. an increase in memory usage or machine load. The results are extremely promising. Conclusion: Our model requires to integrate site administrators' expertise in order to consider all critical scenario in the data center and understand results properly.

Limb girdle muscular dystrophies (LGMD), caused by mutations in 29 different genes, are the fourth most prevalent group of genetic muscle diseases, leading to progressive weakness and atrophy of the skeletal muscles. Although the link between LGMD and their genetic origins has been determined, LGMD still represent an unmet medical need. In this paper, we describe a platform for modeling LGMD based on the use of human induced pluripotent stem cells (hiPSC). Thanks to the self-renewing and pluripotency properties of hiPSC, this platform provides an alternative and renewable source of skeletal muscle cells (skMC) to primary, immortalized or overexpressing cells. We report that skMC derived from hiPSC express the majority of the genes and proteins causing LGMD. As a proof of concept, we demonstrate the importance of this cellular model for studying LGMDR9 by evaluating disease-specific phenotypes in skMC derived from hiPSC obtained from four patients.

Intending to analyze the role of nuclear power in an integrated energy system, we used the IESA-Opt-N cost minimization model focusing on four key themes: system-wide impacts of nuclear power, uncertain technological costs, flexible generation, and cross-border electricity trade. We demonstrate that the Levelized Cost of Energy (LCOE) alone should not be used to demonstrate the economic feasibility of a power generation technology. For instance, under the default techno-economic assumptions, particularly the 5% discount rate and exogenous electricity trade potentials, it is cost-optimal for the Netherlands to invest in 9.6 GWe nuclear capacity by 2050. However, its LCOE is 34 €/MWh higher than offshore wind. Moreover, we found that nuclear power investments can reduce demand for variable renewable energy sources in the short term and higher energy independence (i.e., lower imports of natural gas, biomass, and electricity) in the long term. Furthermore, investing in nuclear power can reduce the mitigation costs of the Dutch energy system by 1.6% and 6.2% in 2040 and 2050, and 25% lower national CO₂ prices by 2050. However, this cost reduction is not significant given the odds of higher nuclear financing costs and longer construction times. In addition, this study has shown that lower financing costs (e.g., EU taxonomy support) considerably reduce the relevance of nuclear cost uncertainties on its investments. Furthermore, we demonstrate that the economic feasibility of national nuclear power investments can vary considerably depending on the cross-border electricity trade assumptions. Additionally, we found that lowering the cost of small modular reactors has more impact on their economic feasibility than increasing their generation flexibility. In conclusion, under the specific assumptions of this study, nuclear power can play a complementary role (in parallel to the wind and solar power) in supporting the Dutch energy transition from the sole techno-economic point of view.

OBJECTIVE: Although 3D-printed anatomic models are not new to medicine, the high costs and lengthy production times entailed have limited their application. Our goal was developing a new and less costly 3D modeling method to depict organ-tumor relations at faster printing speeds. METHODS: We have devised a method of 3D modeling using DICOM images. Coordinates are extracted at a specified interval, connecting them to create mesh-work replicas. Adjacent constructs are depicted by density variations, showing anatomic targets (ie, tumors) in contrasting color. RESULTS: An array of organ solid-tumor models were printed via Fused Deposition Modeling 3D printer at significantly less cost ($0.05/cm3) and time expenditure (1.73 min/cm3; both, p<.001). Printed models helped promote visual appreciation of organ-tumor anatomy and adjacent tissues. Our mesh-work 3D thyroidal prototype reproduced glangular size/contour and tumor location, readily approximating the surgical specimen. CONCLUSIONS: This newly devised mesh-type 3D printing method may facilitate anatomic modeling for personalized care and improve patient awareness during informed surgical consent.

Corporate identity has played a vital role in the Halal industry to create a strong foundation for its reputation in the long run. This paper used two modeling analyses for two different data. The first analysis aims to predict the relationship between Corporate Identity Management between Internal Brand and Employee Brand Support (consequence) mediated by CIM using partial-least squares-structural equation modeling (PLS-SEM). A total of 206 employees from Malaysia’s Halal food SMEs took part in the survey. The second analysis to identify topic proportions patterns using the topic modeling approach on Halal brand identity Machine learning approach of knowledge mining was applied for this analysis. Metadata of 1,091 articles were mined from the Scopus database on Halal studies across all social sciences fields. The result revealed that there was a partial relationship between Internal Brand (antecedent) and Employee Brand Support (consequence) mediated by CIM. This finding was supported by the identified topic proportions patterns from the topic modeling approach that pointed out a weak topic proportion on the Halal brand identity discussion globally, interestingly the result also found that the Halal brand identity discussion involving the Halal food industry is almost non-existed in Malaysia’s Halal food SMEs. The contributions of this paper were apparent in three major areas which are methodology, theoretical and future suggestions. The utilization of two different model analyses was able to confirm the consistency of the major findings with the literature review which opens up more possibilities for future researchers.

Existing Reynolds Averaged Navier-Stokes based transition models do not accurately predict separation induced transition for low pressure turbines. Therefore, in this study, a novel framework based on computational fluids dynamics driven machine learning coupled with multi-expression and multi-objective optimization is explored to develop models which can improve the transition prediction for the T106A low pressure turbine at an isentropic exit Reynolds number of Re2is=100,000. Model formulations are proposed for the transfer and laminar eddy viscosity terms of the laminar kinetic energy transition model using seven non-dimensional pi groups. The multi-objective optimization approach makes use of cost functions based on the suction-side wall-shear stress and the pressure coefficient. A family of solutions is thus developed, whose performance is assessed using Pareto analysis and in terms of physical characteristics of separated-flow transition. Two models are found which bring the wall-shear stress profile in the separated region at least two times closer to the reference high-fidelity data than the baseline transition model. As these models are able to accurately predict the flow coming off the blade trailing edge, they are also able to significantly enhance the wake-mixing prediction over the baseline model.

The Epithelial- Mesenchymal Transition (EMT) is a biological phenomenon associated with explicit phenotypic and molecular changes in cellular traits. Unlike the earlier-held popular belief of it being a binary process, EMT is now thought of as a landscape including diverse hybrid E/M phenotypes manifested by varying degrees of the transition. These hybrid cells can co-express both epithelial and mesenchymal markers and/or functional traits, and can possess the property of collective cell migration, enhanced tumor-initiating ability, and immune/targeted therapy-evasive features, all of which are often associated with worse patient outcomes. These characteristics of the hybrid E/M cells have led to a surge in studies that map their biophysical and biochemical hallmarks that can be helpful in exploiting their therapeutic vulnerabilities. This review discusses recent advances made in investigating hybrid E/M phenotype(s) from diverse biophysical and biochemical aspects by integrating live cell-imaging, cellular morphology quantification and mathematical modeling, and highlights a set of questions that remain unanswered about the dynamics of hybrid E/M states.

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

This study presents established methods, along with new algorithmic developments, to automate the point cloud processing within the Field Information Modeling (FIM)™ framework. More specifically, given an n-D designed information model, and the point cloud’s spatial uncertainty, the problem of automatic assignment of the point clouds to their corresponding elements within the designed model is considered. The methods addressed two classes of field conditions, namely, (i) negligible construction errors; and (ii) existence of construction errors. The emphasis was given to describing and defining the assumptions in each method and shed light on some of their potentials and limitations in practical settings. Considering the shortcomings of current point cloud processing frameworks, three new and generic algorithms were developed to help solve the point cloud to model assignment in field conditions with both negligible, and existence (or speculation) of construction errors. The effectiveness of the new methods was demonstrated in real-world point clouds, acquired from construction projects, with promising results.

Dengue fever is a viral mosquito-borne infection, a major international public health concern. With 2.5 billion people at risk of acquiring the infection around the world, disease severity is influenced by the immunological status of the individual, seronegative or seropositive, prior to natural infection. Caused by four antigenically related but distinct serotypes, DENV-1 to DENV-4, infection by one serotype confers life-long immunity to that serotype and a period of temporary cross-immunity (TCI) to other serotypes. The clinical response on exposure to a second serotype is complex with the so-called Antibody-Dependent enhancement (ADE) process, a disease augmentation phenomenon when pre-existing antibodies to previous dengue infection do not neutralize but rather enhance the new infection, used to explain the etiology of severe disease. In this paper, we present a minimalistic mathematical model framework developed to describe qualitatively the dengue immunological response mediated by antibodies. Three models are analyzed and compared: i) primary dengue infection, ii) secondary dengue infection with the same (homologous) dengue virus and iii) secondary dengue infection with a different (heterologous) dengue virus. We explore the features of viral replication, antibody production, and infection clearance over time. The model is developed based on body cells and free virus interactions resulting in infected cells activating antibody production. Our mathematical results are qualitatively similar to the ones described in the empiric immunology literature, providing insights on the immunopathogenesis of severe disease. Results presented here are of use for future research directions to evaluate the impact of dengue vaccines.

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

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

Objective: Food security during public health emergencies relies on situational awareness of needs and resources. Artificial intelligence (AI) has revolutionized situational awareness during crises, allowing the allocation of resources to needs through machine learning algorithms. Limited research exists monitoring Twitter for changes in the food security-related public discourse during the COVID-19 pandemic. We aim to address that gap with AI by classifying food security topics on Twitter and showing topic frequency per day. Methods: Tweets were scraped from Twitter from January 2020 through December 2021 using food security keywords. Latent Dirichlet Allocation (LDA) topic modeling was performed, followed by time-series analyses on topic frequency per day.Results: 237,107 tweets were scraped and classified into topics, including food needs and resources, emergency preparedness and response, and mental/physical health. After the WHO’s pandemic declaration, there were relative increases in topic density per day regarding food pantries, food banks, economic and food security crises, essential services, and emergency preparedness advice. Threats to food security in Tigray emerged in 2021.Conclusions: AI is a powerful yet underused tool to monitor food insecurity on social media. Machine learning tools to improve emergency response should be prioritized, along with measurement of impact. Further food insecurity word patterns testing, as generated by this research, with supervised machine learning models can accelerate the uptake of these tools by policymakers and aid organizations.

The high-power Asymmetric half-bridge Converter (AHBC) LED constant current driver controlled by digital current mode is a fourth-order system. Static operating point, parasitic resistance, load characteristics, sampling effect, modulation mode and loop delay will have great influence on its dynamic performance. In this paper, the small-signal pulse transfer function of the driver is established by the discrete-time modeling method for the two operating points corresponding to the three modulation modes of the trailing edge, leading edge and double edge. And, the effects of parasitic parameters, delay effect, sampling effect and load effect are fully considered in modeling. For a large number of complex exponential matrix operations, the first order Taylor formula is used for approximate calculation after the coefficient matrix is obtained by substituting the data. Then, Matlab software is used to compare and analyze the discrete-time model and the discrete-average model. The results show that the proposed discrete-time model can more accurately characterize the resonant peak and high-frequency dynamic characteristics, and is very suitable for the design of high frequency digital controller.