Loop detectors are probably the widest-used technology for traffic state estimation. Previous research has shown that loop detector positions within the link significantly affect the estimation of the macroscopic fundamental diagram (MFD) of a given network. This paper examines the biases produced by the positioning of loop detectors on the MFD, using both analytical and simulation methods, as well as empirical data from UTD-19. We confirm earlier results that a uniform distribution of loop detector positions reduces the bias. For non-uniform distribution, we found that: (i) the subsets of the MFD by the loop detector position help estimate whether the loop detector MFD will have a bias; (ii) if the detectors in the network are positioned more downstream with a larger variation, the loop detector MFD is more likely to have a discrepancy in position subsets of the MFD; (iii) a lower ratio of link length to green signal time elevates the MFD bias as well. This research opens the possibility for the bias of MFD induced by the loop detector data to be corrected by only using itself.

Locomotor impairment is a high-prevalent and significant source of disability and significantly impacts a large population’s quality of life. Despite decades of research in human locomotion, the challenges of simulating human movement to study the features of musculoskeletal drivers and clinical conditions remain. Most recent efforts in utilizing reinforcement learning (RL) techniques are promising to simulate human locomotion and reveal musculoskeletal drives. However, these simulations often failed to mimic natural human locomotion because most reinforcement strategies have yet to consider any reference data regarding human movement. To address these challenges, in this study, we designed a reward function based on the trajectory optimization rewards (TOR), and bio-inspired rewards, which includes the rewards obtained from reference motion data captured by a single Intertial Moment Unit (IMU) sensor. The sensor was equipped on the participants’ pelvis to capture reference motion data. Also, we adapted the reward function by leveraging previous research in walking simulation for TOR. The experimental results showed that the simulated agents with the modified reward function performed better in mimicking the collected IMU data from participants, which means the simulated human locomotion was more realistic. Also, as this bio-inspired defined cost, IMU data enhanced the agent’s capacity to converge during the training process. As a result, the models’ convergence is faster than those developed without reference motion data. Consequently, human locomotion can be simulated more quicker and in a broader range of environments with a better simulation performance.

The scope of this work was part of our previous research on Pulsed Power Plasma Stimulation Technique. Electromagnetic fields generated during a pulsed power plasma discharge were simulated using a finite element method in the COMSOL RF module. The field distributions were calculated during and after the pulse. The current paper takes advantage of prior work measuring and modeling the current distribution in the plasma arc. Agreement with laboratory experimental measurements provides support for extension of the model to reservoir scale. The validated model was used to quantify the signal attenuation level in different medium environment.

Several red seaweeds have shown to inhibit enteric CH₄ production; however, adaptation of fermentation parameters to their presence is not well understood. The objective of this study was to examine the effect of three red seaweeds (Asparargopsis taxiformis, Mazzaella japonica, Palmaria mollis) on in vitro fermentation, CH₄ production, and adaptation using the rumen simulation technique (RUSITEC). The experiment was conducted as a completely randomized design with four treatments, duplicated in two identical RUSITEC apparatus equipped with eight fermenter vessels each. The four treatments included the control (barley straw and barley silage) and the three red seaweeds added to the control diet at 2% diet DM. The experimental period was divided into four phases including a baseline phase (d 0-7; no seaweed included), adaptation phase (d 8-11; seaweed included in treatment vessels), intermediate phase (d 12-16) and a stable phase (d 17-21). The digestibility of organic matter (P = 0.04) and neutral detergent fibre (P = 0.05) was decreased by A. taxiformis during the adaptation phase, but returned to control levels in the stable phase. A. taxiformis supplementation resulted in a decrease (P < 0.001) in molar proportions of acetate, propionate and total volatile fatty acid (VFA) production, with an increase in molar proportions of butyrate, caproate, and valerate; the other seaweeds had no effect (P > 0.05) on molar proportions or production of individual VFA. A. taxiformis was the only seaweed to suppress CH₄ production (P < 0.001), with the suppressive effect increasing (P < 0.001) across phases. Similarly, A. taxiformis increased (P < 0.001) the production of hydrogen (H₂, %, mL/d) across the adaptation, intermediate and stable phases, with the intermediate and stable phases having greater H₂ production than the adaptation phase. In conclusion, M. japonica and P. mollis did not impact rumen fermentation or inhibit CH₄ production within the RUSITEC. In contrast, we conclude that A. taxiformis is an effective CH₄ inhibitor and its introduction to the ruminal environment requires a period of adaptation; however, the large magnitude of CH₄ suppression by A. taxiformis inhibits VFA synthesis, which may restrict production performance in vivo.

A single fracture is the basic unit of fracture medium, and the roughness of fracture wall surface is an important factor influencing hydraulic characteristics of the flow in bedrock fracture. However, effects of the shape and density of roughness elements (various bulges/pits on rough fracture wall surfaces) on water flow in a single rough fracture have not been thoroughly discovered. Thus the water flow in single fracture with different shapes and densities of roughness elements was simulated by using Fluent software in this study. The results show that in wider fractures the flow rate mainly depends on fracture aperture, while in narrow and close fracture medium the surface roughness of fracture wall is the main factor of head loss of seepage; there is a negative power exponential relation between the hydraulic gradient index and the average fracture aperture, i.e. with the increase of fracture aperture, the relative roughness of fracture and the influence weight of hydraulic gradient both decrease; and in symmetrical-uncoupled fractures there is a super-cubic relation between the discharge per unit width and average aperture. Above results would help to deepen the understanding of rough fracture seepage.

In this paper, a method of direct spinning is proposed for direct spinning of heterogeneous spun wire-blown holes standard parts and the motherboard mounted on the spin board assemblies. The standardization of the spinneret hole was conducive to improving the machining accuracy and efficiency of the pores, and the spinneret holes could be replaced in time when a hole in the spinneret fails. Moreover; on the other hand, according to the needs of the process of spinning, the spinnerets with various cross-sections were combined and installed on the same motherboard for spinning, and the spinning obtained different bionic new functional products. Based on the results, a finite element model of the standard part of the spinneret hole was developed, and the spinnability of the combinable spinnable spinneret board was verified by simulating the melt flow in the spinneret channel through POLYFLOW software. Further, by the processing of the spinneret, the motherboard was installed into a combined spinneret, and the spinneret assembly was installed on the spinning machine for the experiments. Furthermore, the tow section was observed using a microscope, and the results showed the feasibility of the proposed method.

This paper is focused on understanding multiscale modelling to obtain a bridge among different time and length scales of simulation techniques. These techniques are vital as it holds the potential to understand and predict the capabilities of polymer nanocomposites (PNCs). However, an appropriate approach in controlling the interfacial interaction between nanoparticle and polymer in nanocomposites structure is still needed to develop. In this review, an initial brief introduction to various trending simulation techniques has been discussed at all three levels of scale (nm, μm, mm). Later, descriptive study on fundamental issues such as thermodynamics, kinetics, mechanical properties, and morphology has been studied deeply. The multiscale modeling bridges the gaps of simulation between the different scales of models from molecular to mesoscale levels working over the broad range of length and timescale. Through the sequential, adaptive, and concurrent approaches, we can develop a system that may comprehend multiscale mode modeling adaptive resolution approach has recently added approach the molecule of the subject can shift their position freely in the domain and through this approach and studied the Brownian motion. Co-The co-current coach is also termed as handshaking path and it is linked aiming at different scale models. Covering the rigid techniques smoothly and linking them at different scales helps in normalizing the statistical behaviour.

Fibre reinforced concrete (FRC) has become an alternative for structural applications due its outstanding mechanical properties. The appearance of new types of fibres and the fibre cocktails that can be configured mixing them has created FRC that clearly exceed the minimum mechanical properties required in the standards. Consequently, in order to take full advantage of the contribution of the fibres in construction projects, it is of great interest to have constitutive models that simulate the behaviour of the materials. This study aimed to simulate the fracture behaviour of five types of FRC, three with steel hooked fibres, one with a combination of two types of steel fibres and one with a combination of polyolefin fibres and two types of steel fibres, by means of an inverse analysis based on the cohesive crack approach. The results of the numerical simulations defined the softening functions of each FRC formulation and have pointed out the synergies that are created through use of fibre cocktails. The information obtained might suppose a remarkable advance for designers using high-performance FRC in structural elements.

Oncogenic protein E6 from Human Papilloma Virus 16 (HPV-16) mediates the degradation of Membrane-associated guanylate kinase with inverted domain structure-1 (MAGI-1), throughout the interaction of its protein binding motif (PBM) with the Discs-large homologous regions 1 (PDZ1) domain of MAG1-1. Generic variation in the E6 gene that translates to changes in the protein’s amino acidic sequence modifies the interaction of E6 with the cellular protein MAGI-1. MAGI-1 is a scaffolding protein found at tight junctions of epithelial cells, where it interacts with a variety of proteins regulating signaling pathways. MAGI-1 is a multidomain protein containing two WW (rsp-domain-9), one guanylate kinase-like, and six PDZ domains. PDZ domains played an important role in the function of MAGI-1 and served as targets for several viral proteins including the HPV-16 E6. The aim of this work was to evaluate, with an in silico approach, employing molecular dynamics simulation and protein-protein docking, the interaction of the intragenic variants E-G350 (L83V), E-C188/G350 (E29Q/L83V), E-A176/G350 (D25N/L83V), E6-AAa (Q14H/H78Y/83V) y E6-AAc (Q14H/I27RH78Y/L83V) and E6-reference of HPV-16 with MAGI-1. We found that variants E-G350, E-C188/G350, E-A176/G350, AAa and AAc increase their affinity to our two models of MAGI-1 compared to E6-reference.

In this paper, we use three different experimental methods (particle method, grid method and hybrid method) to model and simulate the smoke from the perspective of fluid dynamics. Through the comparison of different methods, we conclude: The particle method can avoid the numerical dissipation problem caused by grid calculation, but it also brings problems such as the distortion of the trajectory of the example. The grid method is accurate in calculation, but it is prone to numerical dissipation and loss of details. Finally, we choose the hybrid method to store the vorticity in the form of particles in vortex particles, avoiding the numerical dissipation problem caused by the use of grids, and including rich turbulence, which perfectly shows the simulation effect of smoke.

Quantum computers are invaluable tools to explore the properties of complex quantum systems. We show that dynamical localization of the quantum sawtooth map, a highly sensitive quantum coherent phenomenon, can be simulated on actual, small-scale quantum processors. Our results demonstrate that quantum computing of dynamical localization may become a convenient tool for evaluating advances in quantum hardware performances.

The designs of two large arenas of different epochs are discussed, which are the most famous antique amphitheater the Roman Colosseum (Italy) and the modern Gazprom Arena stadium (St. Petersburg, Russia). 3D-computer models of the arenas have been built and evacuation of people has been simulated in the Sigma FS software (Russia). The arena designs are analyzed in terms of organizing pedestrian evacuation, a comparative analysis is made, and the specific characteristics affecting the evacuation time are established.

The conventional explanation of delayed-choice experiments seems to violate our causal intuition. This apparent violation is caused by a misinterpretation of the conventional formulation of quantum mechanics. I reanalyze these experiments using advanced and time-symmetric formulations of quantum mechanics. All three formulations give the same experimental predictions, but the advanced and time-symmetric formulations violate our causal intuition that effects only happen after causes. I explore reasons why our causal intuition may be wrong at the quantum level. I also suggest how conventional causation might be recovered in the classical limit, and speculate on cosmological boundary conditions.

Metal 3D printing technology is a promising manufacturing method, especially in the case of complex shapes. The quality of the printed product is still a challenging issue for mechanical applications. The anisotropy of the microstructure, imperfections, and residual stress are some of the issues that diminish the mechanical properties of the printed sample. The simulation could be used to investigate some technical details, and this research has tried to computationally study the metal 3D printing of austenitic stainless steel to address austenite microstructure and local yield strength. Two computational codes were developed in Visual basics 2015 to simulate the local heating/cooling curve and subsequent austenite microstructure. A stochastic computational code was developed to simulate austenite grain morphology based on calculated thermal history. Then Hall-Pitch equation was used to estimate the yield strength of the printed sample. These codes were used to simulate the effect of temperature of the printer’s chamber on microstructure and subsequent yield strength. The austenite grain topology is more columnar at a lower temperature. The percentage of the equiaxed zone will be increased at a higher chamber’s temperature. Almost a fully equiaxed austenite microstructure will be achieved at 800 C chamber’s temperature, but the last printed layer, which is columnar and can be removed by cutting then. The estimated local austenite grain size and the local yield strength in the equiaxed regions are in the range of 15 to 30 μm and 270 to 330 MPa at 800 C temperature of printer’s chamber, respectively.

This code provides computational facilities to simulate current versus time during the charging of Li-ion cells at desire constant voltage by considering multiscale physical phenomena. This code only considers a powder of active materials (at microscale or nanoscale) and a small part of electrolyte around it as a half cell. Then it is extended to a complete cell by applying correct boundary conditions. This code is very useful by modifying code parameters to understand the effect of the complex shape of active materials powder (surface area and powder size), kind of electrolyte, and the applied voltages on the charging response of Li-ion cell. As a summary, a microscale approach to the design of Li-ion cells has been provided via this code.

Background and motivation: Combining Deep Reinforcement Learning (Deep RL) and Health Systems Simulations has significant potential, for both research into improving Deep RL performance and safety, and in operational practice. While individual toolkits exist for Deep RL and Health Systems Simulations, no framework to integrate the two has been established. Aim: Provide a framework for integrating Deep RL Networks with Health System Simulations, and to ensure this framework is compatible with Deep RL agents that have been developed and tested using OpenAI Gym. Methods: We developed our framework based on the OpenAI Gym framework, and demonstrate its use on a simple hospital bed capacity model. We built the Deep RL agents using PyTorch, and the Hospital Simulation using SimPy. Results: We demonstrate example models using a Double Deep Q Network or a Duelling Double Deep Q Network as the Deep RL agent. Conclusion: SimPy may be used to create Health System Simulations that are compatible with agents developed and tested on OpenAI Gym environments. GitHub repository of code: https://github.com/MichaelAllen1966/learninghospital

This paper deals with the service performance analysis and improvement using discrete event simulation has been used. The simulation of the heath care has been done by arena master development 14-version software. The performance measurement for this study are patients output, service rate, service efficiency and it is directly related to waiting time of patients in each service station, work in progress, resource utilization.Simulation model was building for Bahir Dar clinic and then, prepared the proposed model for the system. Based on the simulation model run result, the output of the existing healthcare service system is low due to presence of bottlenecks on the service system. Moreover, the station with the largest queue and high resource utilization are identified as a bottleneck. The bottlenecks, which have identified are reduced by using reassigning the existing resources and add new resources and merging the similar services, which has under low resource utilization (nurses). Finally, the researchers have proposed a developed model from different scenarios. Moreover, the best scenario is developed by combining scenario 2 and 3. And then, service efficiency of the healthcare has increased by 9.86 percent, the work in progress (WIP) are reduced by 3 patients from the system and the service capacity of the system is increased 34 to 40 patients per day due to the reduction of bottleneck stations.

This study has developed a Matlab application for simulating statistical models project (SMp) probabilistic distributions that are similar to binomial and Poisson, which were created by mathematical procedures. The simulated distributions are graphically compared with these popular distributions. The application allows to obtain many probabilistic distributions, and shows the trend (τ ) for n trials with success probability p, i.e. the maximum probability as τ=np. While the Poisson distribution PD(x;µ) is a unique probabilistic distribution, where PD=0 in x=+∞, the application simulates many SMp(x;µ,Xmax) distributions, where µ is the Poisson parameter and value of x with generally the maximum probability, and Xmax is the upper limit of x with SMp(x;µ,Xmax) ≥ 0 and limit of the stochastic region of a random discrete variable. It is shown that by simulation via, one can get many and better probabilistic distributions than by mathematical one.

This study has developed a Matlab application for simulating statistical models project (SMp) probabilistic distributions that are similar to binomial and Poisson, which were created by mathematical procedures. The simulated distributions are graphically compared with these legendary distributions. The application allows to obtain many probabilistic distributions, and shows the trend (τ ) for n trials with success probability p, i.e. the maximum probability as τ=np. While the Poisson distribution PD(x;µ) is a unique probabilistic distribution, where PD=0 in x=+∞, the application simulates many SMp(x;µ,Xmax) distributions, where µ is the Poisson parameter and value of x with generally the maximum probability, and Xmax is upper limit of x with SMp(x;µ,Xmax) ≥ 0 and limit of the stochastic region of the random discrete variable X. It is shown that by simulation via, one can get many and better probabilistic distributions than by mathematical one.

In the present paper four passive micromixers designs (G1, G2, G3 and G4) inspired on distillation columns trays were proposed. The devices performance was assessed by numerical simulations. The mixing performance was investigated for a Reynolds number range from 0.01 to 100 and channel height of 200 µm, 500 µm and 1000 µm for oil/ethanol flow. G1 and G4 designs provided high mixing index (> 0.975). The G1 device achieved superior mixing performance with a moderate pressure drop (about 0.5 MPa) due to the induced flow recirculation pattern for a relative high flow rate of 0.21 L/min, highlighting the potential use of such microdevice for scale-up and numbering-up of microdevices in modular chemical plant processing.

Aurora kinase A (AURKA) is a normal cell proliferation-inducing enzyme encoded by AURKA gene, with over-expression observed in different types of malignancies. Hence, the goal is to find potential inhibitors against AURKA. In this study, molecular docking, Standard Precision and Extra Precision methods were employed. After the docking study, the ligands showed an extremely low binding score which suggested very high binding affinity of the ligands. Furthermore, Quantum polarized ligand docking (QPLD) was performed to predict the binding status of the molecules. Based on the binding affinity, the top four compounds were chosen for further analysis. The docked complexes were further analyzed in explicit water conditions using 100 ns molecular dynamics simulations and binding free energy calculation. Then, density functional theory (DFT) calculation was used to calculate the molecular properties of the molecules. Finally, systems biology experiments validated the molecular docking and molecular dynamics simulation studies and indicated that quercetin, kaempferol, luteolin and rutin could inhibit the AURKA. The results show that, these four molecules have high binding affinity to the AURKA and significant interactions (LEU139, GLU211and ALA213) were also identified with the hinge region of Aurora kinase A. Thus, LEU139, GLU211, and ALA213 were identified as the crucial protein mechanisms.

The structure of turbulent flow over non-flat surfaces is a topic of major interest in practical applications in both engineering and geophysical settings. A lot of work has been done in the fully rough regime at high Reynolds numbers where the effect on the outer layer turbulence structure and the resulting friction drag is well documented. It turns out that surface topology plays a significant role on the flow drag especially in the transitional roughness regime and therefore, hard to characterize. Survey of literature shows that roughness function depends on the interaction of roughness height, flow Reynolds number and topology shape. In addition, if the surface topology contains large enough scales then it can impact the outer layer dynamics and in turn modulate the total frictional force. Therefore, it is important to understand the mechanisms underlying drag increase from systematically varied surface undulations in order to better interpret quantifications based on mean statistics such as roughness function. In this study, we explore the mechanisms that modulate the turbulence structure over a two-dimensional (2D) sinusoidal wavy surface with a fixed amplitude, but varying slope. To accomplish this, we model the turbulent flow between two infinitely wide 2D wavy plates at a friction Reynolds number, $Re_{\tau}=180$. We pursue two different but related flavors of analysis. The first one adopts a roughness characterization flavor of such wavy surfaces. The second one focuses on understanding the non-equilibrium near surface turbulence structure and their impact on roughness characterization. Analysis of the different statistical quantifications show strong dependence on wave slope for the roughness function indicating drag increase due to enhanced turbulent stresses resulting from increased production of vertical velocity variance from the surface undulations.

This paper proposes a novel deterministic methodology for estimating the optimal sampling frequency (SF) of water quality monitoring systems. The proposed methodology is based on employing two-dimensional contaminant transport simulation models to determine the minimum SF considering all the potential changes in the boundary conditions of a water body. A two-dimensional contaminant transport simulation model (RMA4) was implemented to estimate the distribution patterns of the total dissolved solids (TDS) within the Al-Hammar Marsh in the southern part of Iraq for 30 cases of potential boundary conditions. Using geographical information system (GIS) tools, a spatiotemporal analysis approach was applied to the results of the RMA4 model to determine the minimum SF of the monitoring stations with an accuracy level of detectable change in TDS concentration (ALC) of 5%, 10% and 15%. The proposed methodology specified a minimum and maximum SF for each monitoring station (MS) that ranged between 12 and 33 times per year, respectively. Additionally, increasing the ALC to 10% and 15% increase the minimum SF for some MSs by approximately 18% and 21%, respectively. However, the proposed methodology includes all the potential values and cases of boundary conditions, which increases the certainty of monitoring the system and the efficiency of the SF schedule. Moreover, the proposed methodology can be effectively applied to all types of surface water resources.

The increasing variability in power plant load, in response to a wildly uncertain electricity market and the need to to mitigate CO₂ emissions, lead power plant operators to explore advanced options for efficiency optimization. Model-based, system-scale dynamic simulation and optimization are useful tools in this effort, and the subject of the work presented here. In prior work, a dynamic model validated against steady-state data from a 605 MW subcritical power plant was presented. This power plant model is used as a test-bed for dynamic simulations, in which the coal load is regulated to satisfy a varying power demand. Plant-level control regulates plant load to match an anticipated trajectory of the power demand. The efficiency of the power plant operating at varying load is optimized through a supervisory control architecture that performs set point optimization on the regulatory controllers. Dynamic optimization problems are formulated to search for optimal time-varying input trajectories that satisfy operability and safety constraints during the transition between plant states. An improvement in time-averaged efficiency of up to 1.8% points is shown feasible with corresponding savings in coal consumption of 184.8 tons/day and carbon footprint decrease of 0.035 kg/kWh.

The study aims to analyze the performance criteria of the GR4J model to reproduce high water flows in the Ouémé watershed at Bonou's outlet which has been vulnerable to climate change in recent decades. The methodology focused on the use of daily climatological and hydrometric data extracted from files of National Directorate of Meteorology, and General Directorate of Water; they were supplemented by those of SIEREM/HSM dataset over the period 1961-2015. The rainfall was regionalized using Thiessen method. The performance of the GR4J model was assessed with NSE, RMSE and KGE criteria. The results indicate that the study area is marked by rainfall variabilities and detection of two breakpoints (1968 and 1987) which divide the series into three sub-periods; these discontinuities have repercussions on the streamflow. It's found that GR4J model overestimates the streamflow during the low water period and underestimates them in high water. However, the efficiency and performance criteria NSE, RMSE and KGE calculated on high water flow rates are better in calibration than in validation. The KGE values are range between 83-85% in calibration and 56-68% during validation, which gives to GR4J model the efficiency and performance to reproduce high flow rates in the study area

The optimization methods are increasingly used to solve challenging problems of aeronautical engineering. Typically, the optimization methods are utilized in design of aircraft airframe or its structure. The presented study is focused on an improvement of aircraft-flight-control procedures through the numerical optimization approach. The optimization problems concern selected phases of flight of light gyroplane - a rotorcraft using an unpowered rotor in autorotation to develop lift and an engine-powered propeller to provide thrust. An original methodology of computational simulation of rotorcraft flight was developed and implemented. In this approach the aircraft-motion equations are solved step-by-step, simultaneously with the solution of the Unsteady Reynolds-Averaged Navier-Stokes equations, which is conducted to assess aerodynamic forces acting on the aircraft. As a numerical optimization method, the BFGS algorithm was adapted. The developed methodology was applied to optimize the flight-control procedures in selected stages of gyroplane flight in direct proximity of the ground, where properly conducted control of the aircraft is critical to ensure flight safety and performance. The results of conducted computational optimizations proved qualitative correctness of the developed methodology. The research results can be helpful in design of easy-to-control gyroplanes and also in the training of pilots of this type of rotorcraft.

This paper proposes a novel model for a PV cell with parameters variance dependency on temperature and irradiance included. The model relies on commercial available data, calculates the cell parameters for standard conditions and then extrapolates them for the whole operating range. An up-to-date review of the PV modeling is also included with series and parallel parasitic resistance values and dependencies discussed. The parameters variance is analyzed and included in the proposed PV model, where the self-heating phenomenon is also considered. Each parameter variance is compared to the results from different authors. The model includes only standard components and can be run on any SPICE-based simulator. Unlike other approaches that consider the internal temperature as a parameter, our proposal relies on air temperature as an input and computes the actual internal temperature accordingly. Finally, the model is validated via experiments and comparisons to similar approaches are provided.

Background: Endometriosis is a female chronic inflammatory disease in which endometrial tissue develops outside the uterine cavity. It is a complex pathology, that significantly contributes to morbidity in premenopausal women, leading to chronic pain, infertility, and subfertility negatively impacting the physical, and emotional well-being and overall quality of life. The public health burden of endometriosis remains elusive and challenging to determine, and this uncertainty can lead to inadequate healthcare services and treatments. Objective: To estimate the incidence and prevalence of endometriosis in Italy using the hospital discharge records database. Population-based retrospective study. Nationwide between 2011 and 2020. Methods: From the National Hospital Discharge Database were selected all admissions with a diagnosis of endometriosis (ICD-9-CM, codes 617.x), supported by the presence of a procedure code of laparoscopy or any other surgical procedure allowing direct visualisation of the lesions. Main outcomes measures Incidence and prevalence of endometriosis were estimated for the entire 2010-2020 period and by individual year, analysing the time trend and variability in different geographical areas of Italy. Results: A total of 134,667,646 women aged 15–50 years with one or more hospitalisations for endometriosis in all Italian hospitals. The incidence of endometriosis in Italy during this period was 0.839 per 1000 women (CI95% 0.834-0.844), exhibiting a statistically significant decreasing trend over the years. A discernible north-south gradient was observed, with higher rates documented in the northern regions. The prevalence rate stood at 14.0 per 1000 during the same period, and a similar north-south geographical gradient was identifiable in the prevalence rates as well. Conclusions: The utilization of national-level hospital data enables the generation of incidence and prevalence data for endometriosis without variations in methods and definitions, facilitating the evaluation of temporal trends and regional comparisons. Understanding and quantifying this phenomenon is essential for appropriate healthcare planning in various Italian regions.

The potential advantages of plant-based interventions in decreasing the incidence and lessening the morbidity and mortality of COVID-19 are yet to be widely acknowledged. Nevertheless, recent publications propose that these interventions could be effective. Our cardiology center conducted an interventional study in which we incorporated plant-based foods and provided supplementation to 3470 elderly COVID-19 patients with multiple comorbidities. We pay close attention to the precise selection of food items, the application of appropriate processing methods, and the provision of nourishing meals to our patients. Our outcome was highly successful as we achieved a zero mortality rate, and none of our patients experienced worsening conditions or required hospitalization. In this review article we present the mechanisms how plant-based and supplement interventions can mitigate COVID-19 disease severity and mortality. And experts have validated our hypotheses very recently. The measures and methods used to address the ongoing SARS-CoV-2 pandemic through plant-based interventions and supplements are effective and may help prevent or manage future pandemics.

Abstract: This study aims to evaluate the effectiveness of plant-based diets and supplement interventions in mitigating the severity and mortality of COVID-19 patients. Observational research suggests that a diet high in plant-based foods may decrease the likelihood and severity of SARS-CoV-2 infection. However, several studies have faced criticism regarding the accuracy of obtaining dietary questionnaires and the insufficient intake of essential vitamins and minerals in such diets. To address these issues, this study employed a prospective interventional design that strictly controlled the quality, quantity, and processing of plant-based foods provided. Furthermore, the study incorporated supplementation, which enhanced the anti-viral, anti-inflammatory, antioxidant, antithrombotic, and immunomodulatory properties of a plant-based diet against the SARS-CoV-2 virus. Of the 3,470 COVID-19 elderly patients, half already followed a plant-based diet, and the other half new patients, both with various comorbidities, were intervened with a plant-based diet and supplementation. The results showed that the participants in the non-plant-based diet group were twice as likely to have experienced moderate disease (with 95% confidence limit: 1.42-3.12) and 2.4 times more likely to have experienced severe disease (with 95% confidence limit: 1.2-5.0) with a significant p-value of less than 0.0005 and 0.016 respectively, compared to those in the PBD group. During the interventions, none of the participants experienced disease progression or hospitalization, and there were no reported deaths by the end of the study. The outcome was highly favorable and aligned with the researchers' expectations, as COVID-19 morbidity and mortality rates in Indonesia were among the highest in Asia. This research may provide significant insights into the prevention and management of COVID-19 and aid in better preparation for future pandemics.

Chitosan is a copolymer of β-glucosamine and N-acetylglucosamine. Recent experiments showed that the degree and pattern of acetylation along the chitosan chain modulate the biological and physicochemical properties; however, the molecular mechanism is unknown. Here we apply the de novo all-atom molecular dynamics (MD) simulations to study chitosan’s self-assembly process at different degrees of acetylation and two different acetylation patterns. The simulations revealed that the 10-mer chitosan chains with 50% acetylation in either block or alternating patterns associate to form ordered nanofibrils comprised of mainly antiparallel chains in agreement with the fiber diffraction data of deacetylated chitosan. Surprisingly, regardless of the acetylation pattern, the same intermolecular hydrogen bonds mediate the fibril sheet formation while water-mediated interactions stabilize the sheet-sheet stacking. Moreover, the acetylated units are involved in forming the strong intermolecular hydrogen bonds (NH–O6 and O6H–O7), which offers an explanation for the experimental observation that increased acetylation lowers chitosan’s solubility. Taken together, the present study provides the atomic-level understanding the role of acetylation plays in modulating chitosan’s physiochemical properties, contributing to the rational design of chitosan-based materials with the ability to tune by its degree and pattern of acetylation. Additionally, we disseminate the improved molecular mechanics parameters that can be applied in MD studies to further understand chitosan-based materials.

The process of Targeted Opinion Word Extraction (TOWE), a critical component of aspect-based sentiment analysis (ABSA), revolves around identifying opinionated words linked to specific aspect-terms within sentences. Existing deep learning approaches, while effective, often overlook the syntactic structure of sentences, a factor that previous studies have identified as beneficial for TOWE. In this study, we introduce the Syntactic-Enhanced Deep Learning Model (SEDLM) that integrates syntactic structures into deep learning frameworks for TOWE. Our approach leverages syntax-driven opinion potential scores and syntactic inter-word connections, enhancing model performance. Additionally, we introduce an innovative regularization strategy aimed at distinguishing word representations in TOWE tasks. Our comprehensive analysis reveals that SEDLM sets new benchmarks in performance across multiple standard datasets.

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

Castor oil may be differentiated from other non-edible vegetable oils because of its main composition of hydroxylated fatty acids. Ricinoleic acid comprises 80–90% wt. of fatty acids in castor oil (Ricinus communis). In this study, the thermo-oxidative stability and tribological behavior of bio-based lubricant samples synthesized from castor oil using isoamyl alcohol were evaluated. Initially, the compositional and physicochemical properties of the obtained samples were assessed using 1H NMR, FTIR, and ASTM methods. Oxidative stability of the samples was evaluated using Rancimat method at 110 °C under air flow. The final biolubricant sample (BL2), obtained after esterification, epoxidation, and oxirane rings opening reactions, presented an oxidation stability time (OST) of 14.3 h. The thermal stability was also evaluated by thermogravimetry (TG) from the mass variations under inert and oxidative atmosphere. BL2 showed higher thermal stability compared to the other samples, demonstrating higher decomposition temperatures in both inert (339.04 °C) and oxidative (338.47 °C) atmospheres, for a mass loss of 50%. The tribological properties of the samples were evaluated using a four-ball tribometer configuration. The BL1 and BL2 samples exhibited lower friction coefficients than the mineral oil sample (MOS) by 21.5% and 43.1%, respectively. Regarding wear, the observed wear scar diameter (WSD) was also lower in BL1 and BL2 compared to MOS by 5.2% and 40.4%, respectively. The results of the tribological evaluation suggest that both samples obtained in this study have promising potential for applications in lubricating machines and mechanical systems.

As formally is known, nanozymes are the nanomaterials or nanoscale materials which reveal enzyme-like properties. These nanomaterilas can be utilzied instead of the natural enzymes for simulation of enzymatic reactions in harsh environmental conditions. Among different nanoscale enzyme-like materials, the majority of them reveal peroxidase-like activity, due to the high catalytic efficiency and stability of peroxidase-like nanozymes, they had been widely utilized for sensing and detection via constructing the colorimetric and fluorescence-based analytical and bioanalytical sensors. There are several high impact nanozymatic sensors which reported in the literature. Although the review articles published in this field, however, the current reviews focus on the introducing nanozyme field not description on the best articles published in this filed. Hence, this article aimed to present a brief introduction on the nanozyme-based chemistry with emphasizing on the historical overview of recent nanozymatic sensors. In this regard the best nanozymatic sensors which published over 2016-2023 were briefly described and overviewed.

Waste management is a significant issue that Indonesia must face. The presence of waste will always exist as long as life continues. One of the main challenges in waste management is the proper separation of organic and inorganic waste. As a solution to address this issue, the Ministry of Environment has made efforts to develop Waste Banks. However, it also creates new problems related to manual data collection, lack of monitoring by the community in implementing waste management activities, and a lack of specific reports regarding waste management conducted by officers. We propose the creation of a website using the Agile Development SDLC method. This website involve several steps and incorporate functions for data digitalization and expedited data collection, such as the addition of QR Code functionality, Monthly Reporting Function, and enhanced data security. The method used in this research is Agile Development. The application has been developed with a user-friendly interface and the latest web development technologies to ensure smooth performance. Overall, the web-based application for organic and inorganic waste using Laravel is an important step to promoting sustainable waste management practices.

In this work, the inhibition properties of new bio-based lignine ILs on the corrosion of mild steel in an aqueous solution of 0.01 M NaCl were investigated by Potentiostatic Electrochemical Impedance Spectroscopy (PEIS), Cyclic Potentiodynamic Polarization (CPP). Moreover, the surface was characterized using SEM, EDS, and optical profilometry. The influence of cation and anion on the inhibitor properties and a possible synergistic effect were investigated. The IL choline syringate showed a promising performance, reducing the corrosion current after 24-hour immersion in 0.01 M sodium chloride, from 1.66 µA/cm2 for the control to 0.066 µA/cm2 with 10 mM of the IL present. In addition to the performance as a corrosion inhibitor, both components of this IL also meet or exceed current additional desired properties of such compounds, being readily available, economically efficient, and well tolerated in organisms and the environment.

Paper-based analytical devices have been substantially developed in recent decades. Many fabrication techniques for paper-based analytical devices have been demonstrated and reported. Herein we report a relatively rapid, simple, and inexpensive method for fabricating paper-based analytical devices using parafilm hot pressing. We studied and optimized the effect of the key fabrication parameters, namely pressure, temperature, and pressing time. We discerned the optimal conditions, including pressure of 3.8 MPa (3 tons), temperature of 80oC, and 3 minutes of pressing time, with the smallest hydrophobic barrier size (821 µm) being governed by laminate mask and parafilm dispersal from pressure and heat. Physical and biochemical properties were evaluated to substantiate the paper functionality for analytical devices. Wicking speed in the fabricated paper strips was slightly slower than that of non-processed paper, resulting from reducing paper pore size. A colorimetric immunological assay was performed to demonstrate the protein binding capacity of the paper-based device after exposure to pressure and heat from the fabrication. Moreover, mixing in two-dimensional paper-based device and flowing in a three-dimensional counterpart were thoroughly investigated, demonstrating that the paper device from this fabrication process is potentially applicable as analytical devices for biomolecule detection. Fast, easy, and inexpensive parafilm hot press fabrication presents an opportunity for researchers to develop paper-based analytical devices in resource-limited environments.

Abstract: Calcium-based catalysts are of a high interest for glycerol polymerization due to their high catalytic activity and large availability. However, their poor stability under reaction conditions is an issue. In the present study, we investigated the stability and catalytic activity of Ca-hydroxyapatites (HAps) as one of the most abundant Ca-source in nature. A stochiometric, a Ca-deficient and a Ca-rich HAps have been synthetized and tested as catalysts in the glycerol polymerization reaction. Deficient and stochiometric HAps exhibited a remarkable 100% selectivity to triglycerol at 15 % of glycerol conversion at 245 °C after 8 h of reaction in the presence 0.5 mol.% of catalyst. Moreover, under the same reaction conditions, Ca-rich HAp showed a high selectivity (88 %) to di- and triglycerol at a glycerol conversion of 27 %. Most importantly, these catalysts were unexpectedly stable towards leaching under the reaction conditions based on the ICP-OES results. However, based on the catalytic tests and characterization analysis performed by XRD, XPS, IR, TGA-DSC and ICP-OES, we found that HAps can be deactivated by the presence of the reaction products themselves, i.e., water and polymers.

A project-based module on Sustainable Development Goal number 5, Gender Equality, was im-plemented on 5 different groups of Business English students consisting of a total number of 62 students in higher education. The main purpose of this project was to raise awareness of this goal by means of a flipped method in which students were required to carry out some research on specific areas of the aforementioned goal and work in teams to elaborate oral presentations. Once their findings were shared in class, students were expected to answer a written questionnaire of open-ended questions which were part of a qualitative analysis. Results of this survey showed that not only 90% of the students gained in depth knowledge of this goal, but also 85% had built a positive attitude to take initiative and 80% were optimistic about future gender equality. Finally, 70% of students suggested further social action to curb the problem of gender discrimination. On the whole, the flipped classroom method of learning combined with project-based group work have proven to be an effective way to raise awareness of this goal, create a more positive attitude, in-crease their willingness to take action as well as widening their English lexical resources.

Object-Based Image Analysis (OBIA) has been successfully used to map slums. In general, the occurrence of uncertainties in producing geographic data is inevitable. However, most studies concentrated solely on assessing the classification accuracy and neglecting the inherent uncertainties. Our research analyses the impact of uncertainties in measuring the accuracy of OBIA-based slum detection. We selected Jakarta as our case study area, because of a national policy of slum eradication, which is causing rapid changes in slum areas. Our research comprises of four parts: slum conceptualization, ruleset development, implementation, and accuracy and uncertainty measurements. Existential and extensional uncertainty arise when producing reference data. The comparison of a manual expert delineations of slums with OBIA slum classification results into four combinations: True Positive, False Positive, True Negative and False Negative. However, the higher the True Positive (which lead to a better accuracy), the lower the certainty of the results. This demonstrates the impact of extensional uncertainties. Our study also demonstrates the role of non-observable indicators (i.e., land tenure), to assist slum detection, particularly in areas where uncertainties exist. In conclusion, uncertainties are increasing when aiming to achieve a higher classification accuracy by matching manual delineation and OBIA classification.

Web-Based GIS is a platform that deals with the representation, management and storage of locational information for real-time online retrieval, viewing and manipulations. Web-based GIS incorporate all the functions of information systems: gathering, storing, retrieving, visualizing and dissemination of spatial information on the Internet. In modern-day GIS serve as vital means to not only geo-referenced locational information that are been retrieved but also the development in web-based technologies as well as there involvements in decision making processes. In recent time the increased used of GIS on the Internet have totally transformed and made three distinct changes across our GIS environment. These are: (i) how are GIS data being accessed (ii) what are modes of its transmission and (iii) what available GIS functionalities are within the environment for analysis. This paper examines the applications and technologies associated with web-based GIS architectures with an emphasis on the internet GIS based structure and case studies of GIS Web-based applications in MapInfo, Microsoft Silverlight Technology and the ArcGIS Server using ArcGIS JavaScript API.

A significant number and range of challenges besetting sustainability can be traced to the actions and interactions of multiple autonomous agents (people mostly) and the entities they create (e.g., institutions, policies, social network) in the corresponding social-environmental systems (SES). To address these challenges, we need to understand decisions made and actions taken by agents, the outcomes of their actions, including the feedbacks on the corresponding agents and environment. The science of Agent-based Complex Systems—ACS science—has a significant potential to handle such challenges. The advantages of ACS science for sustainability are addressed by way of identifying the key elements and challenges in sustainability science, the generic features of ACS, and the key advances and challenges in modeling ACS. Artificial intelligence and data science promise to improve understanding of agents’ behaviors, detect SES structures, and formulate SES mechanisms.

Wearable assistant devices play an important role in daily life for people with disabilities. Those who are hearing impaired may face dangers while walking or driving on the road. The major danger is their inability to hear warning sounds from cars or ambulances. Thus, the goal of this study is to develop a wearable assistant device for the hearing impaired to recognize emergency vehicle sirens on the road using edge computing. An EfficientNet-based fuzzy rank-based ensemble model was proposed to classify seven audio sounds, including human vocalizations and emergency vehicle sirens. This model was embedded in an Arduino Nano 33 BLE Sense development board. The audio files were respectively obtained from the CREMA-D dataset and Large Scale Audio dataset of emergency vehicle sirens on the road, with a total number of 8756 files. The seven audio sounds included neutral vocalization, anger vocalization, fear vocalization, happy vocalization, car horn sound, siren sound, and ambulance siren sound. The audio signal was converted into a spectrogram by the short-time Fourier transform as the feature. When one of the car horns, sirens, or ambulance sirens was detected, the wearable assistant device presented alarms through vibration and messages on the OLED panel. The performances of the EfficientNet-based fuzzy rank-based ensemble model in offline computing achieved an accuracy of 97.1%, precision of 97.79%, sensitivity of 96.8%, and specificity of 97.04%. In edge computing, the results were an accuracy of 95.2%, precision of 93.2%, sensitivity of 95.3%, and specificity of 95.1%. Thus, the proposed wearable assistant device has the potential benefit of helping the hearing impaired avoid traffic accidents.

Graphene-based nanomaterials (GNMs), including graphene, graphene oxide, reduced graphene oxide, and graphene quantum dots, may have direct anticancer activity or be used as nanocarri-ers for antitumor drugs. GNMs usually enter tumor cells by endocytosis and can accumulate in lysosomes. This accumulation prevents drugs bound to GNMs from reaching their targets, sup-pressing their anticancer effects. A number of chemical modifications are made to GNMs to facili-tate the separation of anticancer drugs from GNMs at low lysosomal pH and to enable lysosomal escape of drugs. Lysosomal escape may be associated with oxidative stress, permeabilization of the unstable membrane of cancer cell lysosomes, release of lysosomal enzymes into the cytoplasm, and cell death. GNMs can prevent or stimulate tumor cell death by inducing protective autopha-gy or suppressing autolysosomal degradation, respectively. Furthermore, because GNMs prevent bound fluorescent agents from emitting light, their separation in lysosomes may enable tumor cell identification and therapy monitoring. In this review, we explain how the characteristics of the lysosomal microenvironment and the unique features of tumor cell lysosomes can be exploited for GNM-based cancer therapy.

This study was designed to extend the literature on multicomponent interventions for the children of deaf adults (CODA) population. This study used two evidence-based behavior intervention strategies: pre-session pairing (PSP) and independent group contingency (GC). These strategies have been successfully used to decrease off-task behavior in elementary school children with various abilities and diverse backgrounds. However, the research on multicomponent interventions has yet to examine their effects on the CODA population in inclusive classrooms. This study used a concurrent multiple baseline design across participants with an ABC sequence to examine teacher-implemented PSP with independent GC in reducing the off-task behavior of three CODAs in an inclusive classroom at a public elementary school. The results show that the intervention successfully decreased off-task behavior for all participating CODAs. The results suggest that CODAs can adapt to classroom rules and expectations when PSP and independent GC are systematically applied to them in classrooms.

Event-based vision is an emerging field of computer vision that offers unique properties such as asynchronous visual output, high temporal resolutions, and dependence on brightness changes to generate data. These properties can enable robust high-temporal-resolution object detection and tracking when combined with frame-based vision. In this paper, we present a hybrid, high-temporal-resolution, object detection and tracking approach, that combines learned and classical methods using synchronized images and event data. Off-the-shelf frame-based object detectors are used for initial object detection and classification. Then, event masks, generated per each detection, are used to enable inter-frame tracking at varying temporal resolutions using the event data. Detections are associated across time using a simple low-cost association metric. Moreover, we collect and label a traffic dataset using the hybrid sensor DAVIS 240c. This dataset is utilized for quantitative evaluation using state-of-the-art detection and tracking metrics. We provide ground truth bounding boxes and object IDs for each vehicle annotation. Further, we generate high-temporal-resolution ground truth data to analyze the tracking performance at different temporal rates. Our approach shows promising results with minimal performance deterioration at higher temporal resolutions (48 – 384 Hz) when compared with the baseline frame-based performance at 24 Hz.

The recent covid crisis has proven important lessons for academia and industry regarding digital reorganization. Among fascinating lessons from these times is the huge potential of data analytics and artificial intelligence. The crisis exponentially accelerated the adoption of analytics and artificial intelligence, and this momentum is predicted to continue into the 2020s and over. Moreover, drug development is a costly and time-consuming business, and only a minority of approved drugs return the revenue that exceeds the research and development costs. As a result, there is a huge drive to make drug discovery cheaper and faster. With modern algorithms and hardware, it is not too surprising that the new technologies of artificial intelligence and other computational simulation tools can help drug developers. In only two years of covid research, many novel molecules have been designed/identified using artificial intelligence methods with astonishing results in terms of time and effectiveness. This paper will review the most significant research on artificial intelligence in the de novo drug design for COVID-19 pharmaceutical research.

Maternal-child care is one of the foundations of primary health care. Nurses’ competency skills they have been taught. Community awareness is an important part of preventive healthcare, and nurses must be aware of the factors that impact the health of the community. This study examines the effectiveness of lecture-based instructions in maternal and child care and its implications to students' social competency skills and community awareness in Nursing Colleges in Nueva Ecija, Philippines. The researcher uses survey questionnaire and employed the descriptive design where fifteen (15) nursing students and five (5) teachers were purposively selected. The findings revealed that the weighted mean for the effectiveness of lecture based instruction in maternal and child care is 3.91 with verbal description of “Effective”, the effects of lecture based instruction in maternal and childcare to students’ social competency skills and community awareness got the weighted mean of 3.87 and interpreted as “very satisfactory” and the effectiveness of actual community-based instruction is very effective with weighted mean of 4.25 and is higher compare to lecture based instruction. The results also revealed that students and teachers were challenged in lecture-based instruction in maternal and chi8ldcare during distance learning. Recommendations for the enhancement of lecture-based instruction in maternal and childcare in social competency skills and community awareness were also made.

Over the last decade, a significant literature has emerged that advocates the potential of different Additive manufacturing (AM) technologies and printable polymeric materials. Nevertheless, large scale printing and complex geometric shapes, with curvatures and non-planar layer deposition, are a challenging process for the traditional gantry-based machine. The 3 degrees of freedom cartesian configuration restricted their capability to planar layered printing and restricted part dimensions. To date, many researchers have used industrial robots to overcomes this limitation. This review gives the reader a good overview of the FDM technique due to its scalability, cost efficiency and a wide range of material printability. A strong emphasis is laid on the PLA and PLA-based composites as promising materials for the FDM process applications. The second part of this paper links the successful use of these materials in the traditional printing process to large scale printing using the robot-based FDM process. This survey presents representative setups for robot-based AM and works that have been used these setups for non-planar material deposition. Finally, we conclude this paper by identifying opportunities for realizing new functional capabilities by exploiting robot-based AM, and we also present the future trends in this area.

Saccharomyces cerevisiae are a phenotypically diverse species that adapt to a wide variety of environments by exploiting standing genetic diversity and selecting for advantageous mutations. Glyphosate and copper-based herbicides/ fungicides affect non-target organisms, these incidental exposures can impact microbial populations. In this study, glyphosate resistance was found in the historical collection of yeast which was collected over the last century, but only in yeast isolated after the introduction of glyphosate. The highest glyphosate-resistant yeasts were isolated from agricultural sites. However, herbicide application at these sites was not recorded. In an effort to assess glyphosate resistance and impact on non-target microorganisms, yeast were harvested from 15 areas with known herbicidal histories, including an organic farm, conventional farm, remediated coal mine, suburban locations, state park, and a national forest. Yeast representing 23 genera were isolated from 237 samples of plant, soil, spontaneous fermentation, nut, flower, fruit, feces, and tree material samples. Saccharomyces, Candida, Metschnikowia, Klyveromyces, Hanseniaspora, and Pichia were other genera commonly found across our sampled environments. Managed areas had less species diversity and at the brewery, only Saccharomyces and Pichia were isolated. A conventional farm growing RoundUp Ready™ corn had the lowest phylogenetic diversity and the highest glyphosate resistance. The mine was sprayed with multiple herbicides including a commercial formulation of glyphosate; however, the yeast did not have elevated glyphosate resistance. In contrast to the conventional farm, the mine was exposed to glyphosate only one year prior to sample isolation. Glyphosate resistance is an example of the anthropogenic selection of nontarget organisms.

For centuries, crop plants have represented the basis of the daily human diet. Among them, cereals and legumes, accumulating oils, proteins and carbohydrates in their seeds, distinctly dominate modern agronomic practice. Indeed, these plants play an essential role in the food industry and fuel production. Therefore, the seeds of crop plants are intensively studied by food chemists, biologists, biochemists, and nutritional physiologists. Accordingly, not only seed development and germination, but also age- and stress-related alterations in seed vigor, longevity, nutritional value and safety can be addressed by a broad panel of analytical, biochemical and physiological methods. Currently, functional genomics is one of the most powerful tools, giving direct access to characteristic metabolic changes, accompanying plant development, senescence and response to biotic or environmental stress. Among individual methodological platforms, proteomics represents one of the most effective ones, giving access to cellular metabolism at the level of proteins. Here we discuss the main methodological approaches employed by seed proteomics in the context of physiological changes related to seed development, ageing and response to environmental stress.

This paper presents an in-depth contextualized tutorial on Agricultural IoT (Agri-IoT), covering the fundamental concepts, assessment of routing architectures and protocols, and performance optimization techniques via systematic survey and synthesis of related literature. The negative impacts of climate change and the increasing global population on food security and unemployment threats have motivated the adoption of the wireless sensor network (WSN)-based Agri-IoT as an indispensable underlying technology in precision agriculture and greenhouses to improve food production capacities and quality. However, most related Agri-IoT testbed solutions have failed to achieve their performance expectations due to the lack of an in-depth and contextualized reference tutorial that provides a holistic overview of communication technologies, routing architectures, and performance optimization modalities based on users’ expectations. Thus, although IoT applications are founded on a common idea, each use case (e.g., Agri-IoT) varies based on specific performance and users expectations as well as its technological, architectural, and deployment requirements. Likewise, the agricultural setting is a unique and hostile area where conventional IoT technologies do not apply, hence the need for this tutorial. Consequently, this tutorial addresses these via the following contributions: (1) a systematic overview of the fundamental concepts, technologies, and architectural standards of WSN-based Agri-IoT, (2) an evaluation of the technical design requirements of a robust, location-independent, and affordable Agri-IoT, (3) a comprehensive survey of the benchmarking fault tolerance techniques, communication standards, routing and medium access control (MAC) protocols, and WSN-based Agri-IoT testbed solutions, and (4) an in-depth case study on how to design a self-healing, energy-efficient, affordable, adaptive, stable, autonomous, and cluster-based WSN-specific Agri-IoT from a proposed taxonomy of multi-objective optimization (MOO) metrics that can guarantee an optimized network performance. Furthermore, this tutorial established new taxonomies of faults, architectural layers, and MOO metrics for cluster-based Agri-IoT (CA-IoT) networks and a 3-tier objective framework with remedial measures for designing an efficient associated supervisory protocol for cluster-based Agri-IoT networks.

Driven by environmental sustainability concerns, the integration of biobased components in curtain wall systems is gaining traction in both research and the construction market. This paper explores the development and validation of a bio-based façade system within the Basajaun H2020 project. The project aimed to demonstrate the feasibility of introducing environmentally friendly bio-based components into the mature curtain wall façade industry. The paper focuses on identifying technological solutions for replacing key components such as profiles, insulation, and the tightness system with bio-based and less environmental impact alternatives presenting the results achieved in the façade system design of the Basajaun project funded by European Union. These solutions aimed at creating a bio-composite-based curtain wall façade that adheres to current building envelope standards and normative; to implement diverse façade typologies for vision panels, opaque sections, and integrated windows; to engineer the prefabrication process for industrialization, enabling wider market replication and simplified transport and installation. The results demonstrate that the Basajaun façade successfully integrates selected components and meets the performance requirements set by regulations. However, questions remain regarding the workability of bio-based profiles as a commercially viable, ready-to-market solution that can replace traditional aluminum profiles in the curtain wall façade industry.

This review aims to consolidate varied information regarding Port Scanning, and examine the tools, techniques, and detection algorithms used. It explores TCP SYN, Full TCP, UDP, and stealth scans, and shows their functions and abilities. Paired with these techniques, it also shows the tools that they can be used by, such as NMap, Zmap, and MASSCAN. It discusses the various detection techniques such as Signature and Anomaly based detection, and discusses the real world impact of this technology, while commenting on the legal and ethical issues posed.

This study reports the synthesis and characterization of novel per-fluorinated organic polymers with azo- and azomethine-based linkers using nucleophilic aromatic substitution. The polymers reveal variations in the fluorine content via the incorporation of decafluorobiphenyl and hexafluorobenzene linkers, which enhanced their hydrophobic nature. The rich fluorine polymers were slightly soluble in THF and have shown molecular weights between 4886 to 11948 g/mol. All polymers exhibit thermal stability in the range of 350-500°C, with varying thermal stability depending on the fluorine and nitrogen content. Conjugation of the polymers was confirmed through changes in the UV-Vis spectra, with a hypsochromic shift observed in all cases, more pronounced in azo-based fluorinated chains due to H-bonding on the nitrogen sites, chain conformations, and planarity. The optical band gap (Eg) of the polymers was determined from the UV-Vis data, with the Eg values of the azo-based fluorinated polymers being 1 eV higher than those of their corresponding linkers. The cross-linking formation was characterized by porosity measurements, with the azo-based polymer exhibiting the highest surface area of 770 m²/g with a pore volume of 0.35 cm³/g, while the open-chain azomethine-based polymer exhibited the lowest surface area of 285 m²/g with a pore volume of 0.0872 cm³/g. Porous structures with varied hydrophobicities were investigated as adsorbents for separating water-benzene and water-phenol mixtures and selectively binding methane/carbon dioxide gases from the air. The most hydrophobic polymers containing the decafluorbiphenyl linker were suitable for benzene separation, while the best methane uptake values were 6.14 and 3.46 mg/g for DAB-Z-1O and DAB-A-1O, respectively. DAB-Z-1h, with the highest surface area and rich in nitrogen sites, exhibited the highest CO₂ uptake at 298 K (17.25).

G protein-coupled receptors (GPCRs) are amongst the most pharmaceutically relevant and well-studied protein targets, yet unanswered questions in the field leave significant gaps in our understanding of their nuanced structure and function. 3D pharmacophore models are powerful computational tools in silico drug discovery, presenting myriad opportunities for the integration of GPCR structural biology and cheminformatics. This review highlights success stories in the application of 3D pharmacophore modeling to de novo drug design, discovery of biased and allosteric ligands, scaffold hopping, QSAR analysis, hit-to-lead optimization, GPCR de-orphanization, mechanistic understanding of GPCR pharmacology and elucidation of ligand-receptor interactions. Furthermore, advances in the incorporation of dynamics and machine learning will be highlighted. The review will analyze challenges in the field of GPCR drug discovery, detailing how 3D pharmacophore modeling can be used to address them. Finally, we will present opportunities afforded by 3D pharmacophore modeling in the advancement of our understanding and targeting of GPCRs.

Our study essentially concerns the dynamic behavior of an SIRS epidemic model in discrete time. Two equilibrium points are obtained; one is disease-free while the other is endemic. We are interested in the endemic fixed point as well as its asymptotic stability. Depending on the parameters which are estimated using the data from US Department of health and SIRS modelling with optimization, two Flip and Transcritical bifurcations appear. We illustrate their diagrams, as well as their bifurcation curves using the method of Carcasses \cite{carcasses1993determination,carcasses1995singularities} for the Flip bifurcation and by an implicit function deduced from such an equation for the Transcritical bifurcation. We use the scanning of the parametric plane to have a global view of the behavior of the model and to highlight the zones of stability of the existing singularities. A superposition of the bifurcation curves with the parametric plane can show the overlap of the curves with the boundaries of the stability domains, which confirms the smooth running of the simulation and its correspondence with the theory, we finish this article with constrained optimal control applied to infection rate and recruitment rate for an SIRS discrete epidemic model. Pontryagin's maximum principle is used to determine these optimal controls. Finally using COVID-19 data in the USA, we obtain results that demonstrate the effectiveness of the proposed control strategy to mitigate the spread of the pandemic.

Wood is poised to become a material of choice for future construction. When appropriately managed, it is a renewable material with unique mechanical properties. Beyond its inherent sustainability, the use of wood has a crucial role in addressing climate change concerns due a significantly lower energy consumption and emissions during manufacturing and transportation, while simultaneously acting as a carbon sink. Thus, there has been a growing demand for hardwoods for structural applications, including Castanea sativa Mill., the focal point of this investigation. Albeit in a limited capacity, Eurocode 5-2 offers friction coefficients for softwoods, but it falls short for hardwoods which it is a gap to bridge with this research. These coefficients play a critical role in numerical simulations involving friction, enabling the optimization of joints and, by extension, the overall structural integrity. Test samples were evaluated at 18% moisture content, which is typical of Service Class 2, for various orientations of timber-to-timber and timber-to-steel friction. Considering previous friction coefficients at 12% moisture content, the linear variation was evaluated at an intermediate value of 15%. The results provide an experimental database for numerical simulations and highlight the influence of moisture content on the coefficients, which increase linearly along moisture percentages.

The analysis and simulation of water quality in distribution networks is a complex issue of great concern today. The analysis of the evolution of water age, as a simple indicator of water quality in the network, is of great interest in both design and operation phases. Understanding the factors that have the strongest influence on water quality is key to developing adequate strategies aimed at preserving it. This paper firstly analyses the factors with biggest influence in the tanks water age, to support the selection of the most appropriate configuration from the point of view of water quality during design phases. Then, the main considerations when modelling tanks following the different mixing models considered in Epanet have been presented. Also, a real tank behaviour has been characterised through field measurements and Epanet simulations in order to determine the best fitted mixing model.

This paper concentrates on computing the efficiency of heliostat field systems. By conducting a comprehensive analysis of the mathematical model for optical efficiency, we have effectively simplified the complex three-dimensional illumination problem of heliostat fields into a two-dimensional issue. Our work primarily investigates the calculation methods for the average optical efficiency and output power of heliostat. Traditionally, calculating shadow and blocking efficiency, key factors affecting the optical performance of mirror fields, has posed a significant technical challenge. Through innovative improvements to the Monte Carlo simulation technique, this study has successfully reduced the spatial dimensionality of the problem. We employed a series of novel coordinate transformations to simulate light tracing on a two-dimensional plane, thereby efficiently calculating the efficiency of shadows and obstructions. Not only have we solved the computational challenges of shadow and obstruction efficiency, but our unique algorithm design also allows us to precisely obtain the overall average optical efficiency of the heliostat field while enhancing computational efficiency.

This study investigates the impact of specimen size on the mechanical properties of wood, specifically focusing on compression strength, elastic modulus, and Poisson's ratio. Compression tests were conducted using three different specimen sizes (20mm×20mm×30mm, 40mm×40mm×60mm, 60mm×90mm×90mm) in the longitudinal, radial, and tangential directions. Mechanical parameters, failure mechanisms, load-displacement curves, and stress-strain relationships were systematically analyzed for each size. The study also evaluated the influence of specimen size on the accuracy of finite element numerical simulations by utilizing the obtained mechanical parameters. The results reveal a significant correlation between compressive strength and specimen size, indicating a decrease in compressive strength with increasing specimen size. Conversely, elastic modulus and Poisson's ratio exhibit less sensitivity to variations in specimen size. Notably, parameters derived from small-sized specimens (20mm×20mm×30mm) exhibited substantial errors, while those obtained from medium-sized (40mm×40mm×60mm) and large-sized specimens (60mm×90mm×90mm) demonstrated greater reliability, providing precise results in finite element numerical simulations.

Chemical process control relies on a tightly controlled, narrow range of margins for critical variables, ensuring process stability and safeguarding equipment from potential accidents. The availability of historical process data is limited to a specific setpoint of operation. This challenge raises issues for process monitoring in predicting and adjusting to deviations outside of the range of operational parameters. Therefore, this paper proposes simulation-assisted deep transfer learning for predicting and optimizing the final purity and production capacity of the glycerin purification process. The proposed network is trained by the simulation domain to generate a base feature extractor, which is then fine-tuned using few-shot learning techniques on the target learner to extend the working domain of the model beyond the historical practice. The result shows that the proposed model improved prediction performance by 99% in predicting water content and 79.72% in glycerin prediction over the conventional deep learning model. Additionally, the implementation of the proposed model identified the production and product quality improvement for enhancing the glycerin purification process.

Frontal Polymerization (FP) is recognized as a polymer synthesis method capable of generating a highly localized and self-propagating exothermic front, considered a more rapid and energy-efficient manufacturing scheme for polymer-based fiber-reinforced composite materials. This study conducts a numerical investigation based on the Finite Element Method into the initiation and propagation of frontal polymerization of acrylamide. Utilizing Differential Scanning Calorimetry (DSC) experiments, the study phenomenologically tests the curing kinetics reactions of acrylamide (AM) in deep eutectic solvent (DES)-based polymerizable systems, thereby establishing a curing kinetics model for the autocatalytic reaction of polyacrylamide. By coupling the heat conduction diffusion equation of the frontal polymerization reaction, the Finite Element Method is employed to solve the reaction-diffusion model, aiming to explore the evolution of temperature and degree of curing during the manufacturing process. The results demonstrate the reliability and accuracy of the nth-order autocatalytic model in the study of curing kinetics for DES-based synthesis, indicating that the front propagation speed of the AM-based FP reaction is influenced by the activation temperature, duration of activation temperature, and initial temperature of the solution. Experimental validation of the polyacrylamide manufacturing through frontal polymerization corroborates the accuracy and reliability of the model predictions, providing a reference for the numerical model study and temperature control in the synthesis of acrylamide composite hydrogels via FP.

The production of high-quality castings without foundry defects at minimal production costs is a constant priority for foundries. Innovation and optimization of production processes are key to achieving this goal. Computer simulation of foundry processes offers a modern alternative to expensive and time-consuming experiments in real foundries and provides a reliable representation and analysis of casting and solidification processes. A detailed analysis of the casting and solidification simulation results allows the prediction of various risks that can cause defects in cast castings, thereby reducing their quality and, last but not least, the cost of their production. The paper deals with the analysis of a computer simulation of the casting of a brake disc in the Slovak foundry. This brake disc has had shrinkages and micro shrinkages that reduce the internal quality of the casting. These defects occurred in the ribs in the upper part of the casting under the feeders. A computer simulation of the casting and solidification of this casting was made according to real conditions. It turned out that the designed ingate system with a system of feeders was not sufficient to eliminate emerging defects. A new layout of the feeders was proposed, which ultimately eliminated the occurrence of defects based on the results of computer simulation. The input parameters were set to be as close as possible to the actual needs of the foundry. 3D models of the assemblies were designed in SolidWorks CAD software, and filling and solidification simulations were performed using the NovaFlow &amp; Solid CV 4.6r42 simulation program.

A review of the published quantitative risk assessment (QRA) models of L. monocytogenes in seafood was performed, with the objective of appraising the effectiveness of the control strategies placed along the food chain. Whereas all the 13 QRA models retrieved were of short scope, covering at most from end of processing to consumption; the majority (85%) focused on smoked or gravad fish. Since the modelled pathways commenced with the packaged product, none of the QRA models addressed cross-contamination events. Many models agreed on the fact that keeping the product’s temperature at 4.0-4.5 ºC leads to greater reductions in the final risk of listeriosis than reducing the shelf life by one week; and that the effectiveness of both measures can be surpassed by reducing the initial occurrence of L. monocytogenes in the product (at the end of processing). It is therefore necessary that future QRA models for RTE seafood contains a processing module that can provide insight into intervention strategies that can retard L. monocytogenes growth, such as the use of bacteriocins, ad-hoc starter cultures and/or organic acids, and other strategies seeking to reduce cross-contamination at the facilities, such as stringent controls for sanitation procedures. Since risk estimates were shown to be moderately driven by growth kinetic parameters, namely, the exponential growth rate, the minimum temperature for growth, and the maximum population density, further work is needed to reduce uncertainties about them.

: Suicide is a serious public health problem, with a global mortality rate of 1.4% of all deaths worldwide, and the leading cause of unnatural death in Spain. The use of clinical simulation has proven to be a beneficial tool in the training of nursing students. Such experiences allow them to develop cognitive and affective skills that are fundamental for the detection of warning signs and use of interventions in cases of people who want to take their own lives. Working in a mental health environment can be difficult for nursing students; therefore, the purpose of this study was to explore the perceptions of nursing students on the approach, management and intervention of suicidal crisis through clinical mental health simulation. Methods: qualitative descriptive phenomenological study through focus groups and reflective narratives in a sample of 45 students. A thematic analysis was performed using ATLAS-ti. Results: After the analysis, three themes were obtained: (a) management and handling of emotions (b) identification of suicide motives (c) intervention in suicidal crisis. Discussion: Clinical simulation in mental health allows students to exercise clinical judgment reasoning, detect warning signs for a better treatment approach, and provide tools for effective intervention and management of patient care. The results of this study indicate that nursing students face challenges in approaching mental health clinical simulation due to lack of prior exposure.

The World Health Organization (WHO) documents malaria as one of the leading causes of high morbidity and mortality worldwide. The disease affects millions and kills thousands of people annually. Efforts to reduce the global burden of malaria have prompted WHO to recommend prevention strategies like using anti-malarial drugs. However, these strategies have been ineffective because of anti-malarial drug resistance. The only efficacious malaria treatment is Artemisinin-based Combination Therapy (ACT). However, the extended ACTs clearance times, linked to the emergence of artemisinin monotherapy resistance recorded most recently in Africa and the Great Mekong region, pose a danger to its efficacy. Therefore, better efficacious malaria drugs are required. Since P. falciparum heat shock protein 90 (PfHsp90) is a well-characterized malaria drugs target, this study uses it to discover more efficacious malaria drugs. An in-silico approach was used to discover PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria using molecular dynamics simulation (MDS) and hierarchical virtual screening. Geldanamycin (GDM), a well-known anti-PfHsp90 compound, was used to identify PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria by screening it against the ZINC database via the ZINCPHARMER web server. This virtual screening process resulted in 17 hits. These ZINCPHARMER hits were subjected to drug-likeness and pharmacokinetics properties analysis in the SwissADME web server, and 9 of them satisfied the requirements. The 9 ZINC compounds were docked with PfHsp90 using the PyRx software to understand their interactions. From the molecular docking results, ZINC09060002 (-8.2 kcal/mol), ZINC72133064 (-7.8 kcal/mol), ZINC72163401 (-7.7 kcal/mol), ZINC72358537 (-8.1 kcal/mol), and ZINC72358557 (-7.6 kcal/mol) had better binding affinities to PfHsp90 than GDM (-7.5 kcal/mol). The stability of these molecularly docked protein-inhibitor complexes was assessed through MDS using GROMACS 2022. ZINC72163401, ZINC72358537, and ZINC72358557 formed stable complexes with PfHsp90. The lead compounds were subjected to in vitro validation for their inhibitory capability. They showed promising inhibition of parasite growth with IC50 values ranging between 200 – 400 ng/ml. In this regard, the three PfHsp90 inhibitors can be used as anti-malarial drugs. However, further structural optimization studies and clinical (in vivo) tests are necessary to ascertain the antimalarial activity of these compounds in humans.

A problem of efficacy of crystal growth methods for crystallization from solution or melt has been investigated. Axial vibrational control (AVC) technique was considered as a perspective method to manage both heat-mass transfer and chemical component composition of the melts in the case of crystallization of complex chemical compounds. Numerical modeling and the search for generalized dependencies made it possible to predict the AVC parameters that provide optimal heat and mass transfer modes for creating flat liquid-solid interfaces, as well as the component composition of dissociated melts of various chemical compounds – Ge, NaNO3, CdTe.

The aim of this study is to present a method for developing fragility curves for soil liquefaction that are consistent with the seismic hazard using Monte Carlo simulation. This method can account for all the uncertainties and variabilities of the input parameters. The seismic parameters of earthquake magnitude (M) and the associated peak ground acceleration (PGA) are considered together for the liquefaction assessment. The liquefaction potential and damages obtained by this method are more realistic. A case study is performed using data from a sand-boil site in Yuanlin, Changhua county, where liquefaction occurred during the Chi-Chi earthquake in Taiwan in 1999. The results show that the liquefaction potential index, IL, the post-liquefaction settlement, St, and the liquefaction probability index, PW, are all suitable parameters for evaluating the liquefaction damages. The fragility curves for soil liquefaction developed by this method can support the performance-based earthquake engineering (PBEE) approach, provide guidance for liquefaction evaluation to the ‘Taiwan Earthquake Loss Estimation System’-TELES, and serve as a basis for scenario simulation and an earthquake early warning system for liquefaction damages.

The problem of intensification of melt crystal growth process has been analyzed using CdTe as an actual material. Numerical simulation of 100 mm diameter CdTe crystal growth by VGF technique has been carried out. The heat-mass transfer was controlled by introducing of low-frequency oscillating baffle into the melt, so called axial vibrational control (AVC) technique. The baffle configuration has been optimized to destroy solid «tails», which were formed near the crucible walls at high cooling rates due to the low thermoconductivity and the corresponding latent heat. Analysis of CdTe homogeneity range showed that during fast crystal cooling Te micro precipitations were formed resulting from decay of oversaturated Cd-riched nonstoichiometric solid solution at Bridgman crystal growth technique. A VGF grown CdTe crystal after full crystallization stays inside the phase field of the high temperature wurtzite polymorph. This makes it possible to go through the polymorph transition without Te micro-precipitating using the advantages of VGF specific feature of very slow cooling.

The accuracy of star position simulation is the key factor affecting the accuracy of ground calibration test of spacecraft attitude measurement system. To solve the impact of nonimaging polarized stray light on the simulation accuracy of star position in the optical engine of the system, the generation mechanism of non-imaging polarized stray light has been investigated, and an optimization method for polarization balance of the optical engine is proposed. The mathematical model of the incident light aperture angle and the ideal polarization parameter of the optical engine thin film is established, and the optimization evaluation function of polarization balance of the optical engine is constructed. An optical engine polarization balance film with the corresponding full-band binomial attenuation is <0.001 and the phase delay is <1°. Experimental results show that the simulation accuracy of the weak starlight simulation system is improved by 1.64 times using polarization balanced optical engine.

It is a critical issue to allocate redundancy to critical smart grid infrastructure for disaster recovery planning. In this study, we present a framework to combine statistical prediction methods and optimization models for the optimal redundancy allocation problem. First, we develop statistical simulation methods to identify critical nodes of very large-scale smart grid infrastructure based on the topological features of embedding networks, and then present a linear integer programming model based on generalized assignment problem (GAP) for redundancy allocation of critical nodes in smart grid infrastructure. The model is specifically implemented in the context of smart grid infrastructure. The findings demonstrate that the combined approach of statistical simulation and optimization effectively addresses the size limitations inherent in a sole optimization approach. Notably, the optimal solutions for redundancy allocation in very large grid systems highlight that the cost of redundancy is only a fraction of the economic losses incurred due to weather-related outages.

In this paper, four lithological parameters, i.e. thermal conductivity, particle size, porosity and saturation, are investigated by combining experimental observations with numerical simulations to study the influence laws and mechanisms of action on the combustion process of methane hydrate sediments. The variation of combustion characteristics parameters such as flame height, effective combustion ratio and dimensionless discharge water mass with the lithological parameters are studied. In addition, the combustion mechanism of lithologic parameters on methane hydrate deposits is revealed. Combining the experimental results and simulation calculations, to optimize the combustion of methane hydrate sediments, it is recommended to use methane hydrate sediment samples with high saturation and low thermal conductivity, while the oxidant concentration and porosity of methane hydrate sediment samples should be increased.

The pneumatic muscle is an actuator well known for its inherited compliance. In the last years, there have been a lot of applications of these actuators, mainly oriented toward medical devices. However, there are few papers that use muscle as a model associated with mechanical structures. These actuators are difficult to control because their stiffness depends on the applied pressure, determining a non-linear behavior. This article presents a model, created in Matlab, considering the muscle as a kinematic structure. The model is simulated as an individual structure and a PID controller is applied to test the response. Then, these results are validated by experimental tests done in the laboratory on different types of muscles. Comparison results validate the accuracy of the model.

Lateral vehicle control is a high importance in automated vehicles as it directly influences the vehicle’s performance and safety during operation. The Linear Quadratic Regulator (LQR) controller stands out due to its high-performance characteristics and is used in the open source for self driving functions. However, a notable limitation of the current approach is the manual calibration of LQR controllers based on the experience and intuition of the designers, leading to empirical uncertainties. To address this issue and enhance the lateral control performance, this paper concentrates on refining the LQR by employing three optimization algorithms: Artificial Bee Colony Optimization (ABC), Genetic Algorithm (GA), and Particle Swarm Optimization (PSO). These algorithms aim to overcome the reliance on empirical methods and enable a data-driven approach to LQR calibration. By comparing the outcomes of these optimization algorithms to the manual LQR controller within an offline multibody simulation as testing platform, the study highlights the superiority of the best-performing optimization approach. Following this, the optimal algorithm is implemented on a real-time system for the full vehicle level, revealing the Model-in-the-Loop and the Hardware-in-the-Loop gap up to 78,89% with lateral velocity when we use Relative Error Criterion (REC) method to validate and 2.35m with lateral displacement when considering by maximum absolute value method.

Road collisions are among the world’s critical issues causing many casualties, deaths, and economic losses. To deal with this scenario, precise analysis is required. In this paper, we use Machine Learning (ML) techniques to assess and predict road traffic collisions. An ensemble machine learning model with two layers was developed to analyze simulation data from the driving simulator. The first (base) layer integrates supervised learning techniques namely, k- Nearest Neighbors (k-NN) AdaBoost, Naive Bayes (NB), and Decision Trees (DT). The second layer predicts road collisions by combining the base layer outputs by employing the stacking ensemble method using logistic regression as a meta-classifier. The data for this study were imbalanced; therefore, we performed a SMOTE resampling strategy to handle the dataset imbalance. To simplify the model, the PSO algorithm was used to select the most important features in our dataset. The two-layer ensemble model proposed had the best outcomes with an accuracy of 88%, F1 score of 83%, and an AUC of 86% as compared with k-NN, DT, NB, and AdaBoost.

As a new logistics system, Physical Internet (PI) provides a solution to cope with the continuous rise of urban logistics demand by exploring same-level and cross-level paths and flattening. This research suggests a PI-based urban logistics distribution cost minimization model based on the examination of the primary elements influencing PI distribution, intending to maintain the logistic transportation process' integrity. This proposed model enhances the flexibility of goods operation and reduces the global cost of logistics distribution using the interconnected and open PI logistics distribution mode. The experimental results show that the distribution cost of the PI logistics model is significantly better than that of a traditional logistics model. The elastic and cost advantages relatively grow as the infrastructure for distribution scales up and the interruptions from emergencies occur.

In this study, we present different methods of estimating fuzzy reliability of a two-parameter Rayleigh distribution via the maximum likelihood estimator, median first-order statistics estimator, quartile estimator, L-moment estimator, and mixed Thompson-type estimator. The mean-square error MSE as a measurement for comparing the considered methods using simulation through different values for the parameters and unalike sample sizes is used. The results of simulation show that the fuzziness values are better than the real values for all sample sizes, as well as the fuzzy reliability at the estimation of the Maximum

Commonly, professors, students and researchers from universities around the world use software distributed under a license agreement for computer simulation purposes, which requires a computer with considerable hardware capabilities. Consequently, this implies a high cost to conduct simulations that require implementing numerical methods in all areas of engineering, particularly in the field of robotics and nonlinear control. This paper presents the design and results analysis of a low-cost and open-source frugal computer simulation tool with applications to robotic nonlinear control, for instance, for numerical simulations of manipulator robot control based on dynamic models. Using a single board minicomputer with with reduced computing power, Raspberry Pi, together with free software, GNU-Octave, trajectory tracking control simulations in the joint space of a Selective Conformal Assembly Robot Arm (SCARA) are achieved by solving a system of nonlinear differential equations, represented in matrix form, which includes the control law and the system model. The results of the proposed alternative are compared by running the same simulation code on a laptop computer using MATLAB and GNU Octave, which show minimal deviations and reasonable time complexity. Moreover, considering the frugality curve calculated for this approach, in addition to the low acquisition cost of the simulation software tool, it would allow the creation of a simulation laboratory in some universities with budgetary constraints for educational and research purposes.

Estimating peak flow for a catchment is commonly undertaken using the design event method, however this method does not allow for the understanding of uncertainty in the result. This research first presents a simplified method of fragments approach to rainfall disaggregation that ignores the need to consider seasonality, offering a greater diversity in storm patterns within the resulting sub-daily rainfall. By simulating 20 iterations of the disaggregated sub-daily rainfall within a calibrated continuous simulation hydrologic model, we were able to produce multiple long series of stream flow at the outlet of the catchment. With this data, we investigated the use of both the annual maximum and peaks over threshold approaches to flood frequency analysis and found that for a one in 100 year annual exceedance probability peak flow, the peaks over threshold method (333m3/s ±50m3/s) was significantly less uncertain than the annual maximum method (427m3/s ±100m3/s). For the one in 100 year annual exceedance probability, the median peak flow from the peaks over threshold method (333m3/s) produced an outcome comparable to the design event method peak flow (328m3/s), indicating that this research offers an alternative approach to estimating peak flow, with the additional benefit of understanding the uncertainty in the estimation. Finally, the paper highlighted the impact that length and period of streamflow has on peak flow estimation and noted that previous assumptions around the minimum length of gauged streamflow required for flood frequency analysis may not be appropriate in particular catchments.

Acoustic emission (AE) is caused by the sudden release of energy by a material as a result of material degradation related to deformation, crack, or fault within a solid. The same situation also occurs in leaks caused by turbulence in the fluid around the leak. In this study, analytical modeling for AE due to leakage through a circular pinhole in a gas storage cylinder was performed. The displacement fields responsible for AE, excited by the concentrated force (CF) associated with the turbulent flow though the pinhole, were derived by solving the Navier-Lamé equation. The CF as an excitation source was formulated in terms of a fluctuating Reynolds stress (FRS) and spatial Green’s function. In particular, a series of experiments were conducted under different operating conditions to explore the characteristics of the AE signals due to leak in a gas cylinder. Finally, the simulation and experimental results were compared to verify the accuracy of the simulation results.

For deep-penetrating geochemistry, there is a frontier issue as to how to explore ore-bearing information deep in covered areas, while it is, too, important to investigate the geochemical migration of ore-forming elements for the development of exploration geochemistry. In this study, a 380-day migration column experiment was conducted with surface soil and pure Cu powder collected from the Yujiashan study area in Wuhan City, Hubei Province taken as the object of research to simulate the migration process of ore-forming elements under natural conditions. The results showed obvious vertical migration of the ore-forming elements and conversion of mobile metal forms in the process; further, according to 6 groups of simulation experiments that took 45 days to conduct on migration column samples and the surface oil and Cu powder collected from the Pulang mining area in Yunnan Province, the vertical migration of the ore-forming element was still visible, and the exogenous substance (pure Cu powder) could enhance the anomaly without changing the basic migration mechanism. This indicates that Cu might migrate in a stable manner in soil cover in the Pulang mining area, and its migration was mostly driven by the transformation of Fe-Mn oxide bound state and organic bound state; finally, a multifractal analysis was conducted, revealing that the ore-forming elements presented a nonlinear and complex structure during their upward migration, which caused anomalies in the covered area, and multiple parameters exerted a certain indicative effect on different source intensities and properties of soil. In this study, laboratory simulations were performed to summarize the active-state evolution pattern and migration mechanism of ore-forming elements with a view to providing technical support and theoretical guidance for geochemical prospecting in the covered region.

To solve the problem of deformation and stress in segments when a full-face hard rock tunnel boring machine (TBM) tunnel for an urban subway passes through existing buildings, a three-dimensional mechanical calculation model of TBM tunneling under existing buildings was established based on numerical analysis to comprehensively study the spatial attributes of tunnel segments during TBM tunneling. The Qingdao Metro Line 1 TBM tunnel in the hard rock stratum of Xiaobei District passes through existing buildings. The results indicated that (1) the stress and deformation of the segments were different at different positions. The horizontal and vertical stress and displacement of the segments in front of the building were significantly affected by the building. When the segment was not in the area below the horizontal plane of the building, the vertical stress of the segment was significantly greater than the two stresses in the horizontal direction. (2) The vertical displacements of the vault and the arch bottom were the largest, and the influence of vertical accessories was stronger when the segment was closer to the building.(3) When the tunnel was excavated to approximately one tunnel diameter in front of the building, the building was affected. If the surrounding rock is unstable, the excavation face may collapse and the ground surface may sink, possibly leading to inclination, cracking, and uneven settlement of the building.

Wind energy is a rapidly expanding renewable energy technique. Wind farm developers need to understand the interaction between wind farms and the atmospheric flow over complex terrain. Large-eddy simulations provide valuable data for gaining further insight into the impact of rough topography on wind-farm performance. In this research, we investigate the influence of spatial heterogeneity on wind turbine performance. We conducted numerical simulations of a 12×5 wind-turbine array on various rough topographies. First, we evaluated our LES method through mesh convergence analysis, using mean vertical profiles, vertical friction velocity, and resolved and subgrid-scale kinetic energy. Next, we analyze the effects of surface roughness and dispersive stresses on the performance of fully developed large wind farms. Our results demonstrate that the ground roughness element’s flow resistance boosts large wind-farm power production by almost 68% in fully aerodynamic rough surface compared to flat terrain. Dispersive stress analysis revealed that the primary degree of spatial heterogeneity in the wind farm is in the streamwise direction, which is the “wake-occupied” region, and the relative contribution of dispersive shear stress is almost 45% to the overall drag. We also observed that the power performance of the wind farm in complex terrain outperforms the drag. Our study has implications for improving the design of wind turbines and wind farms in complex terrain to increase their efficiency and energy output.

High-fidelity patient simulation (HFPS) is widely used in professional training to enhance students’ competence in clinical management. Problem-solving (PS) and clinical reasoning (CR) skills are essential to developing students in professional competence in safe and effective care. These two skills should be initiated at the early training. However, little is known about the effects of HFPS on developing PS and CR skills in first year undergraduate students. Therefore, this pre- and post-experimental study aimed to investigate the effects of HFPS on development of PS and CR skills in first-year nursing students. The students were required to go through four sessions, preparation, pre-briefing and orientation, simulation role-playing, and debriefing, for the HFPS. The study utilized the Problem-Solving Inventory (PSI) and the Nurses Clinical Reasoning Scale (NCRS) to measure problem-solving and clinical reasoning abilities before and after HFPS. Bivariate analysis, one-sample t-test, and independent t-test were performed to evaluate the performance of the PS and CR skills at the two study periods. One hundred eighty-nine students were recruited, with a mean age of 20.56 years, and 73% were female students. The analytic results showed that the PSI, particularly in domains of Problem-Solving Confidence (PSC) (p&lt;0.001) and overall PS (p&lt;0.001), and the CR (p&lt;0.001) had significant improvement after HFPS. The study concluded that HFPS is an effective innovative method to significantly improve students’ problem-solving and clinical reasoning abilities. Nurse educators play an important role in providing explicit learning instructions in a simulation guideline that directs and guides students to learn at each stage of HFPS. Students should take more initiative and engage in their learning through HFPS to enhance their competence in knowledge and higher intellectual skills for personal and professional developments.

The quantile estimation of extreme wind speed is needed in various environmental fields such as climatology, design of structures, renewable energy sources and agricultural operations. These calculations are crucial for the coding of wind speed. In this study, the required wind speed series of 16 stations in Khyber Pakhtunkhwa, Pakistan, was obtained from the NASA official website and measured in meters per second (m/s) at a 10-meter distance. A Regional Frequency Analysis of 16 AMWS stations was performed using L-moments. The quantile estimates of extreme wind speed are needed for various areas of interest using Regional Frequency Analysis (RFA) and extreme value theory. These calculations are crucial for the coding of wind speed. The data was taken from the NASA official website at a 10-meter distance and measured in meter per second (m/s). A Regional Frequency Analysis of AMWS using L-moments is performed utilizing wind speed data from sixteen sites (16) in Pakistan's Khyber Pakhtunkhwa province. There are no sites that are found to be discordant. The wards method is used to construct a homogenous region and make two homogenous regions from 16 sites. The heterogeneity test justifies that both clusters are homogeneous. The most appropriate probability distribution from the Generalized Normal (GNO), Generalized Logistic (GLO), Pearson Type-3 (P3), Generalized Pareto (GPA), and Generalized Extreme Value (GEV) distributions are chosen to calculate regional quantiles. According to the L-moments diagram and Z statistics, GEV for Cluster- Ι and GLO for Cluster- ΙΙ are the best suggestions from the others. Both clusters’ robustness is measured utilizing Relative Bias (RB) and Relative Root Mean Square Error (RRMSE). Overall, GEV distribution is fit for cluster-Ι, and the GLO distribution is fit for cluster-ΙΙ. Utilizing the site mean and median as index parameters, we can also find at-site quantiles from regional quantiles. The study’s quantile estimates can be employed in codified structural designs with policy consequences.

Ditching-rotary tiller was widely used in tillage and ditching furrow during rapeseed sowing. As its ditching furrow system (consist of four identical ditching plows) would bear great drag resistance from the soil during operation, the ditching plow was optimized based on differential geometry analysis and EDEM simulation. Resistance-velocity simulation indicated the plow with parabolic type guide curve had better reduce-drag characteristics. Differential geometry analysis indicated decay rate of E and growth rate of G could represent the variable regularity of drag resistance with the increase of velocity. The L value could represent the magnitude of drag resistance. The smaller L value, decay rate of E and growth rate of G, the better drag-reduce characteristics. Quadratic rotation orthogonal combination design shown the optimal structural parameter values were: Δθ=15°, θmin=45°, h=250mm, l=100mm. The minimum average drag resistance was 230.1N. The differential geometry analysis of optimal ditching plow shown |dE/dκ| and |dG/dκ| could obtain minimum value, indicating growth rate of drag resistance for optimal plow was the lowest within the experimental level. Field experiment indicated the operation effect of optimized ditching furrow system could met the requirements of rapeseed sowing. The research provided in-depth theoretical guidance for Drag-reduce design of plow.

The study of energy sources has been an awareness of the modern world due to constraints on the current energy worldwide supply chain. The complexity of the theme as well as the consciousness of finite sources also the need of saving energy has become a priority. Although many papers have moved in this direction there is no record of papers studying the variables in a house heating system, which represents the highest energy consumption in many cold countries. This paper explores the energy-saving theme by studying the main variables present in houses’ heating systems in the winter season in cold countries like Canada, Russia, Norway, Iceland, Finland, etc. By using a novel combination of numerical thermal simulation by COMSOLTM and statistical analysis by MiniTabTM , it was possible to design an efficient thermal distribution in a house with the variables of the system by determining their significance and interaction qualitatively.

This article examines the wavelet transforms and the machine learning methods in accelerating large eddy simulations of turbulent flows. An overarching challenge of large eddy simulations is to accurately represent the cascade of kinetic energy across the cut-off length scale. Taylor hypothesis suggests that the energy cascade occurs through the process of vortex stretching. However, Richardson hypothesis assumes the self-amplification of the strain field and a hierarchical break down of large eddies lead the energy cascade. The large eddy simulations typically employs the self-amplification of the strain in formulating subgrid models. However, several studies also proposed subgrid models based on vortex stretching. The wavelet-based coherent vortex simulation of turbulence directly accounts for vortex stretching in overall forward scatter of energy, while allowing local backscatter. The wavelet-based large eddy simulation adapts the grid to capture the creation of small-scale eddies, while adopting subgrid models based on the self-amplification of strain. The advancement of artificial intelligence in turbulence modelling is currently evolving around accelerating the numerical simulations of turbulent flow. However, there is a clear connection between the application of wavelet transfroms and neural networks for directly solving the Navier-Stokes equation, indicating some potential benefits of wavelet methods over the neural networks.

With the popularization of natural gas and the requirements for environmental protection, the development and utilization of natural gas is particularly important. The status of natural gas in China's oil and gas exploration and development is constantly improving, and the country is paying more and more attention to the exploitation and utilization of natural gas. The Upper Paleozoic tight sandstone in the Ordos Basin is characterized by low porosity, low permeability and large area of concealed gas reservoirs. By injecting CO2 into the formation, the recovery of natural gas can be improved, and at the same time, the stable storage of CO2 can be achieved to achieve a win-win situation of CO2 emission reduction and utilization. Injecting greenhouse gas CO2 into gas reservoirs for storage and improving recovery has also become a hot research issue. In order to improve the recovery efficiency of tight sandstone gas reservoir, this paper takes the complex tight sandstone of Upper Paleozoic in Ordos Basin as the research object, through indoor physical simulation experiments, carried out the influence of displacement rate, fracture dip angle, core permeability, core dryness and wetness on CO2 gas displacement efficiency and storage efficiency, and analyzed the influence of different factors on CO2 gas displacement efficiency and storage efficiency to improve the recovery and storage efficiency. The research results show that under different conditions, when the CO2 injection pore volume is less than 1PV, the relationship between the CH4 recovery rate and the CO2 injection pore volume is linear, and the tilt angle is 45 °. When the CO2 injection pore volume exceeds 1PV, the CH4 recovery rate increases slightly with the increase of displacement speed, the recovery rate of CO2 displacement CH4 is between 87% - 97%, and the CO2 breakthrough time is 0.7PV-0.9PV. In low-permeability and low-speed displacement cores, the diffusion of CO2 molecules is more significant. The lower the displacement speed is, the earlier the breakthrough time of CO2 is, and the final recovery of CH4 slightly decreases. Gravity has a great impact on CO2 storage and enhanced recovery. The breakthrough of high injection and low recovery of CO2 is earlier, and the recovery of CH4 is about 3.3% lower than that of low injection and high recovery. The bound water makes the displacement phase CO2 partially dissolved in the formation water, and the CO2 breakthrough lags about 0.1PV. Ultimately, CH4 recovery factor and CO2 storage rate are higher than those of dry core displacement. The research results provide theoretical data support for CO2 injection to improve recovery and storage efficiency in complex tight sandstone gas reservoirs.

The use of carbon nanotubes to improve the mechanical properties of polymers is one of the promising directions in materials science. The addition of single-walled carbon nanotubes (SWCNT) to a polymer results in significant improvement of mechanical, electrical, optical, and structural properties. However, the addition of SWCNTs does not always improve the polymer properties. Also, when a certain content of SWCNTs is exceeded, the mechanical properties of the nanocomposite are getting worse. This article reports the results of computer simulations for predicting the mechanical properties of polymer/single-walled carbon nanotube nanocomposites. The efficiency of reinforcing polymer composites is considered depending on the concentration of carbon nanotubes in the polymer matrix, their size and structure. The elastic moduli of the nanocomposites were predicted using computer simulations for unit cell tension (0.1%). General trends in the mechanical properties of composites with polypropylene, poly (ethyl methacrylate), polystyrene matrices and SWCNTs are shown.

The fluorinated organic compounds have superior physicochemical properties than general organic compounds due to the strong C-F single bond, and widely used in medicine, biology, pesticides, and materials science. In order to gain a deeper understanding of the physicochemical properties of fluorinated organic compounds, fluorinated aromatic compounds have been investigated by various spectroscopic techniques. 2-Fluorobenzonitrile and 3-fluorobenzonitrile are important fine chemical intermediates, and their excited state S1 and cationic ground state D0 vibrational features remain unknown. In this paper, we used two-color resonance two photon ionization (2-color REMPI) and mass analyzed threshold ionization (MATI) spectroscopy to study S1 and D0 states vibrational features of 2-fluorobenzonitrile and 3-fluorobenzonitrile. The precise excitation energy (band origin) and adiabatic ionization energy were determined to be 36028 2 cm-1 and 78650 5 cm-1 for 2-fluorobenzonitrile; and 35989 2 cm-1 and 78873 5 cm-1 for 3-fluorobenzonitrile, respectively. The density functional theory (DFT) at the levels of RB3LYP/aug-cc-pvtz, TD-B3LYP/aug-cc-pvtz, and UB3LYP/aug-cc-pvtz were used to calculate the stable structures and vibrational frequencies for the ground states S0, excited state S1, and cationic ground state D0, respectively. Franck-Condon spectral simulations for transitions of S1 S0 and D0 S1 were performed based on above DFT calculations. The theoretical and experimental results are in good agreement. The observed vibrational features in S1 and D0 states are assigned according to the simulated spectra and the comparison with structurally similar molecules. Several experimental findings and molecular features were discussed in detail.

On the aero-engine combustor liner, a phenomenon of overheating resembling a hot spot exists, accompanied by a preferential peeling of the YSZ thermal barrier coating that will negatively affect the service life of the component. The temperature gradient of the hot spot may affect the YSZ fracture pattern.In this paper, the morphological and property changes of YSZ sintering is investigated experimentally, and a coupled analysis of the YSZ Crack Propagation Mode under the hot spot is performed using ABAQUS. The results show that the pore fractal size D of YSZ increases by 15%. Inside the hot spot region, the coating has a shear stress of 75MPa. By inserting Cohesive units globally in the model to simulate the random crack initiation and propagation, unlike the thinning of YSZ layered peeling caused by uniform superheating, hot spot will cause the crack initiation at the tip of the pores inside the coating and the oblique propagation, eventually forming an oblique crack connection through the pores. When the temperature gradient reaches 30K/mm, the crack propagation is 40% greater than in a uniform temperature field; consequently, the YSZ in the hot spot boundary region with a greater temperature gradient results in more severe bulk peeling.

Wearable thermoelectric generators (w-TEGs) convert thermal energy into electrical energy to realize self-powering of intelligent electronic devices, thus reducing the burden of battery replacement and charging, and improving the usage time and efficiency of electronic devices. Through finite element simulation, this study successfully designed high-performance thermoelectric generator and made it into wearable thermoelectric module by adopting “rigid device - flexible connection” method. It was found that higher convective heat transfer coefficient on cold-end leads to larger effective temperature difference and better power generation performance of device in typical wearable scenario. Meanwhile, at same convective heat transfer coefficient on the cold-end, longer TE leg length leads to larger temperature difference established at both ends of device, larger device output power and open-circuit voltage. However, when the convective heat transfer coefficient increases to a certain level, optimization effect of increasing TE leg length on device power generation performance will gradually diminish. For devices with fixed temperature difference between two ends, longer TE leg length leads to higher resistance of TEG, resulting in lower device output power but slight increase in open-circuit voltage. Finally, sixteen 16×4×2 mm2 TEGs (L=1.38 mm, W=0.6 mm) and two modules were fabricated and tested. At hot end temperature Th=33 ℃ and cold end temperature Tc=30 ℃, the actual maximum output power Pout of TEG is about 0.2 mW, and the actual maximum output power Pout of TEG module is about 1.602 mW, which is highly consistent with the simulated value. This work brings great convenience to research and development of wearable thermoelectric modules and provides new, environmentally friendly and efficient power solution for wearable devices.

Fracture of viscoplastic materials is a complex process due to its time-dependent and plastic responses. Numerical simulation for fracture plays a significant role in crack prediction and failure analysis. In recent years, the phase field model is becoming a competitive approach to predict crack growth and has been extended to inelastic materials such as elasto-plastic, viscoelastic and viscoplastic materials, etc. However, the contribution of inelastic energy to crack growth is seldom studied. For this reason, we implement the phase field model coupled with a viscoplastic constitutive in finite element framework, in which the elastic energy and inelastic energy are used as crack driving energy. The implicit algorithm for a viscoplastic constitutive is presented, this procedure is suitable for other viscoplastic constitutive relations. The strain rate effect, creep effect, stress relaxation effect and cyclic loading responses are tested using a single element model with different inelastic energy contributions; A titanium alloy plate specimen and a stainless-steel plate specimen under tension are studied compared with the experimental observations in existing literature. The results show that the above typical damage phenomenon and fracture process can be well reproduced; The inelastic energy significantly affects the force-displacement responses but has slight effect on the crack paths.

Accurate estimation of vehicle emissions is essential and can be helpful in the decision-making process. Thanks to calculation methods, it is possible to accurately estimate the emissions that result from driving a car and to determine their impact on, for example, the health of pedestrians who are on the pavement near an arterial road. Recent years have seen an increase in the use and importance of emission models, as well as vehicle traffic simulation models. Increasingly, emission models are being combined with traffic simulation models, as it is not practical to actually measure the on-road emissions of an entire fleet of vehicles over a given stretch of road. This paper provides an overview of the selected work on the topic of emission modelling and vehicle traffic simulation models. The models are distinguished according to their respective scales of accuracy, i.e., micro, meso, and macro. Selected work combining emission and traffic simulation models is also presented, as well as development trends in the field. In particular, the paper also highlights the fact of proper calibration of vehicle traffic simulation models in order to obtain the most reliable vehicle emissions results from computational models. The review of the works carried out may be helpful for future projects concerning the use of simulation tools for transport and environmental decision-makers in the area of arterial roads.

In this paper a combined Laplace transform (LT) and boundary element method (BEM) is used to find numerical solutions to problems of anisotropic functionally graded media which are governed by the transient diffusion-convection-reaction equation. First, the variable coefficients governing equation is reduced to a constant coefficients equation. Then, the Laplace-transformed constant coefficients equation is transformed a boundary-only integral equation. Using a BEM, the numerical solutions in the frame of Laplace transform may then be obtained from this integral equation. Then the solutions are inversely transformed numerically using the Stehfest formula. Some problems considered are those of compressible or incompressible flow, and of media which are quadratically, exponentially and trigonometrically graded materials. The results obtained show that the analysis used to transform the variable coefficients equation into the constant coefficients equation is valid, and the mixed LT-BEM is easy to implement for obtaining the numerical solutions. The numerical solutions are verified by showing their accuracy and steady state. For symmetric problems, the symmetry of solutions is also justified. Moreover, the effect of the anisotropy and inhomogeneity of the material on the solutions are also shown, as to suggest that it is important to take the anisotropy and inhomogeneity into account when doing experimental studies.

Breast and Cervical cancer are significant causes of morbidity and mortality among women worldwide. Usually, conventional therapies and early detection has shown success in metastasis and relapse rates and improved overall survival of the patients. The elimination of the efficacy of chemotherapies and target therapies because cancer stem cells create resistance against chemotherapy, metastasis, and relapse. Studies reveal that cancer stem cell markers are important for improving efficiencies of targeted therapies. Our study aims to analyze the stem cell markers and target the most significant stem cell marker by phytochemicals and their derivates. Through the analysis, it was observed that CXCR4 and SOX-2, mir-1, mir-125, and mir-429 may have a crucial role in stemness of breast and cervical cancer respectively, while BPMD & MD simulations revealed Di-valinoyl curcumin as a potential compound for CXCR4 targeting.

Hydrogel microneedles are a promising technology for the delivery of different types of medicines locally and painlessly, as well as ISF extraction. As the hydrogel microneedles are inserted into the tissue, they swell and release drugs. To improve the effectiveness of this technology in delivering medicine at controlled and desirable doses and intervals, a deep understanding of the mechanism of drug delivery inside the microneedles is required. In this work, drug diffusion inside a tapered microneedle is investigated using numerical simulation. The microneedle is divided into many small elements, and the mass transfer equation of meloxicam is solved in each element over time. The skin is simulated as the sink in the microneedle surface for drug absorption. Simulations are performed for different sizes of microneedles. For a microneedle with a height of 500 µm and a base diameter of 250 µm, the drug completely penetrates the skin within 3.2 seconds. The rate of drug diffusion from the tip of the microneedle is higher than diffusion from the side area near the microneedle base. The obtained data demonstrate that in addition to the height and the base diameter, the microneedle’s aspect ratio, h/d, also affects the time of drug diffusion. We present a nonlinear equation to predict the time of complete drug diffusion as a function of the microneedle geometrical parameter, including the height and base diameter. The proposed equation calculates the total drug diffusion time with an error of less than 7% for all studied cases. Predicting drug diffusion patterns inside microneedles can be helpful in the biomedical field, especially in the drug-controlled release system for the optimization of drug delivery.