This economic evaluation aims to support policy-making on the combined use of pre-exposure prophylaxis (PrEP) with HIV vaccines by evaluating the potential cost-effectiveness of implementation that would support the design of clinical trials for assessment of combined product safety and efficacy. The target study population is a cohort of men who have sex with men (MSM) in the United States. Policy strategies considered include standard HIV prevention, daily oral PrEP, HIV vaccine, and their combination. We constructed a Markov model based on clinical trial data and published literature. We used a payer perspective, monthly cycle length, a lifetime horizon, and a 3% discount rate. We assumed a price of $500 per HIV vaccine series in the base case. HIV vaccines dominated standard care and PrEP. At current prices,PrEP was not cost-effective alone or in combination. A combination strategy had the greatest health benefit but was not cost-effective (ICER=$463,448/QALY) as compared to vaccination alone. Sensitivity analyses suggest a combination may be valuable for higher-risk men with good adherence. Vaccine durability and PrEP drug prices were key drivers of cost-effectiveness. Results suggest that boosting potential may be key to HIV vaccine value.

The amplified Arctic warming is one of several factors influencing atmospheric dynamics. In this work, we consider a series of numerical experiments to identify the direct role of the Arctic sea ice reduction process in forming climatic trends in the northern hemisphere. Aimed at this, we used two more or less independent mechanisms of ice reduction. The first is traditionally associated with increasing the concentration of carbon dioxide in the atmosphere from the historic level of 360 ppm to 450 ppm and 600 ppm. This growth increases air temperature and decreases the ice volume. The second mechanism is associated with a reduction in the reflectivity of ice and snow. We assume that comparing the results of these two experiments allows us to judge the direct role of ice reduction. The most prominent consequences of ice reduction, as a result, were the weakening of temperature gradient at the tropopause level in mid-latitudes, the slower zonal wind at 50-60∘N, intensification of wave activity in Europe, Western America, and Chukotka, and its weakening in the south of Siberia and Kazakhstan. We also consider how climate change may alter regimes such as blocking and stationary Rossby waves. The study used the INM-CM48 climate system model .

With advances in Building Information Modeling (BIM), Virtual Reality (VR) and Augmented Reality (AR) technologies have many potential applications in the Architecture, Engineering, and Construction (AEC) industry. However, the AEC industry, relative to other industries, has been slow in adopting AR/VR technologies, partly due to lack of feasibility studies examining the actual cost of implementation versus an increase in profit. The main objectives of this paper are to understand the industry trends in adopting AR/VR technologies and identifying gaps within the industry. The identified gaps can lead to opportunities for developing new tools and finding new use cases. To achieve these goals, two rounds of a survey at two different time periods (a year apart) were conducted. Responses from 158 industry experts and researchers were analyzed to assess the current state, growth, and saving opportunities for AR/VR technologies for the AEC industry. The findings demonstrate that older generations are significantly more confident about the future of AR/VR technologies and they see more benefits in AR/VR utilization. Furthermore, the research results indicate that Residential and commercial sectors have adopted these tools the most, compared to other sectors and institutional and transportation sectors had the highest growth from 2017 to 2018. Industry experts anticipated a solid growth in the use of AR/VR technologies in 5 to 10 years, with the highest expectations towards healthcare. Ultimately, the findings show a significant increase in AR/VR utilization in the AEC industry from 2017 to 2018.

Debris flows have generated major disasters worldwide due to their great destructive capacity, which is associated with their high energy levels and short response times. To achieve an adequate risk management of these events, it is necessary to define as accurately as possible the different hazard levels to which the territory is exposed. This article develops a new methodology to estimate this hazard based on the hydrodynamic characteristics of the flow and the granulometry of the sediments that can be mobilized by the flow. The hydrodynamic characteristics of the flow are determined through a mathematical modeling that considers the rheology of non-Newtonian flows and the different volumes of sediments that could be transported during events corresponding to different return periods. The proposed methodology was implemented in the Jamundí River basin (Colombia). The results obtained indicate that in the upper part of this basin there is a low hazard level, while in the lower part of the basin approximately 15% of the affected territory has a medium hazard level and the remaining 85% has a low hazard level. The methodology developed is simple to implement but technically rigorous since it considers all relevant aspects in the generation of debris flows.

In the development of a digital twin (DT) for hydropower turbines, dynamic modeling of the system (e.g., penstock, turbine, speed control) is crucial, along with all the necessary data interface, virtualization, and dashboard designs. Since the DT must mimic the actual dynamics of the hydropower turbine accurately, adaptive learning is required to train these dynamic models online so that the models in the DT can effectively follow the representation of the actual hydropower turbine dynamics accurately and reliably. This study presents an adaptive learning method for obtaining the hydropower turbine models for DT development of hydropower systems using recursive least squares algorithm. To simplify the formulation, the hydropower turbine under consideration was assumed to operate near a fixed operating point, where the system dynamics can be well represented by a set of linear differential equations with constant parameters. In this context, the well-known six-coefficient model for the Francis turbine was formulated as the starting point to obtain input and output models for the turbine. Then, an adaptive learning mechanism was developed to learn model parameters using the real-time data from a hydropower turbine testing system. This led to a semi-physical modeling in which the first principles and data-driven modeling are integrated to produce dynamic models for the DT development. Applications to a pilot system at the Norwegian University of Science and Technology (NTNU) were made, and the models learned adaptively using the data collected from the university’s pilot system. Desired modeling and validation results were obtained.

Building Information Modelling (BIM) has been more popular in the construction industry as a consequence of the many advantages it offers, such as increased productivity, improved project outcomes, and reduced expenses. However, there are many obstacles that must be overcome before BIM can be widely used. This research uses a poll of construction industry experts to investigate the challenges associated with using BIM in projects. Cost of implementation, inadequate standards and procedures, and a lack of knowledge with BIM were some of the hurdles that were measured in the study. Statistical techniques were used to examine the data, and the findings indicate that the high cost of implementation and the absence of sufficient standards and procedures are the two main obstacles to the widespread adoption of BIM. Problems with supply chain management and a lack of experience with BIM are also mentioned as obstacles. The report also suggests solutions, such as a more focused teaching effort on BIM-related issues and the creation of a specialised BIM curriculum. Professionals in the construction industry may utilise the study’s results to their advantage by expanding their knowledge of the obstacles standing in the way of widespread adoption of BIM.

We report an agent-based model to compare the effectiveness of simple and complex mobile dating application interfaces in generating matches for virtual users. We define the relative complexity of dating applications as the number of available features and dub this variable, the multiplicity. We replicate some of the most popular mobile dating applications through the generation of a synthetic population endowed with attributes, preferences, and behaviors drawn from literature. We treat our data as a network dataset and use a robust statistical procedure (MRQAP) to issue a valid and reliable comparison between simulated applications. We show how the quadratic assignment procedure can be used to compare network simulations rigorously. As a result, we observe a direct relationship between multiplicity and agent-level experiences and expectations in match generation. We also observe the emergence of divergent matching systems with minor rule changes as well as several expected properties of online dating systems. This work serves as a proof-of-concept in the integration of classical social network analysis methods with agent-based modeling to compare virtual designs and to enhance the policy-generation process of online social networks.

The ubiquity of amino acids in carbonaceous meteorites has suggested that amino acids are widespread in the Universe, serving as a common class of components for the emergence of life. However, parameters for modeling amino acid polymerization at mineral–water interfaces remain limited, although the interfacial conditions inevitably exist on planets with surface liquid water. Here, we present a set of extended triple-layer model parameters for aspartate (Asp) and aspartyl-aspartate (AspAsp) adsorptions on ferrihydrite, anatase, and γ-alumina determined based on the experimental adsorption data. By combining the parameters with the reported thermodynamic constants for amino acid polymerization in water, the impacts of these minerals on Asp dimerization are calculable over a wide range of environmental conditions. It was predicted, for example, that ferrihydrite strongly increases the AspAsp/Asp equilibrium ratio in neutral to acidic pH; the ratio in the adsorbed state reaches 40% even from a low Asp concentration (0.1 mM) at pH 4. This percentage is approximately 5 × 107 times higher than that attainable without mineral (8.5 × 10–6%). Our exemplified approach enables us to screen wide environmental settings for abiotic peptide synthesis from a thermodynamic perspective, thereby narrowing down the geochemical situations to be explored for life’s origin on Earth and Earth-like habitable planets.

Hydrological modeling allows us to make a comprehensive assessment of the interaction between dynamics of the hydrological cycle, climate conditions, and land use. These modeling results are relevant in water resources management field. We use TopModel (TOPography based hydrological MODEL for the hydrological modeling of an area of 17 000 km² in the Middle Magdalena Valley (MMV), a tropical basin located in Colombia. This study is located in the intertropical convergence zone (ITCZ) which is characterized by special meteorological conditions and fast water fluxes over the year. This area has been subjected to significant land use changes, as a result of intense economic activities, e.g., agriculture, hydropower energy and oil & gas production (Avellaneda, 2003). The proposed model is based on a record of 12 years of: i.) daily precipitation data from observed gauges, ii.) daily evapotranspiration data from temperature data and iii.) daily streamflow data as observed data. A calibration process was performed using data from 2000 to 2008, and a validation was performed with data from 2009 to 2012. The Nash-Sutcliffe coefficient was used as an objective function to assess the quality of these processes (values of this metric are between 0.74 and 0.73 respectively, for model calibration and validation). The results show us an adequate performance of the model in areas of the tropical region and allow us to analyze the relationship between water storage capacity in the soils of the area with subsurface runoff. This conclusion is consistent with the characteristics of the region. The calibrated model provides an idea about the hydrological functioning of the basin and estimates an approximation of the groundwater recharge in the region. The estimation of the recharge is important to quantify the interaction of surface water and groundwater, especially during the dry season, due to its importance in the analysis of scenarios with climate variability.

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

Transcutaneous nerve stimulation has several neuromodulatory applications, including pain management, sensory restoration, and motor recovery. Transcutaneous stimulation delivered via electrode arrays offers ease of use and reconfigurability through non-invasive means. Also, employing electrode arrays allows regulation of the permeated electric fields for greater control over the stimulation performance. Field shaping involves the regulation of permeated electric fields and is a well-established practice for deep brain stimulation; however, its applicability to peripheral nerve stimulation still needs exploration. Adopting such techniques can help to overcome current limitations with transcutaneous stimulation, like poor targetability, early onset of fatigue, and perceived discomfort. This article provides a perspective on the applicability of field-shaping techniques in improving the overall stimulation outcome.

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

The agamid lizard Phrynocephalus melanurus, is restricted to the Northwest China (Dzungar Basin) and adjacent Eastern Kazakhstan (Zaisan and Alakol basins). To elucidate the phylogeography of P. melanurus, we obtained the mitochondrial DNA COI segments of 175 sampled lizards from 44 localities across the whole distribution range. Phylogenetic analyses revealed two main clades comprising six geographically structured lineages (I, IIa, IIb, IIc1, IIc2, and IIc3) that fits an isola-tion by distance (IBD) model. The divergence from the most recent ancestor was dated to ~1.86 million years ago (Ma). Demographic analyses demonstrated lineage-specific response to past climate change: stable population for Clade I, IIb and IIc2; while past population expansion for IIc1 and IIc3 since 0.02 Ma and 0.18 Ma, respectively. Bayesian phylogeographic diffusion anal-yses detected initial spreading at the Saur Mount vicinity approximately 1.8 Ma. Historical species distribution modeling (SDM) projected expansion of the suitable habitat in the last interglacial period and stepwise contraction in the Last Glacial Maximum and Holocene epochs. The SDM predicts a shrinkage and shift of suitable area eastward as a response to future climate change. Our findings suggest that the evolution of P. melanurus followed a parapatric divergence with subsequent dispersal and adaptation to cold and dry environments during the Quaternary. Moreover, future conservation strategies need to be taken to maintain the population of lineage IIc1.

Coincident changes in abundance and behavior pose a challenge for interpreting abundance data from monitoring programs. In the San Francisco Estuary, long-term monitoring documented the declines of many species including the anadromous Longfin Smelt (Spirinchus thaleichthys). We identified seasonal patterns in reginal presence of Longfin Smelt through its life cycle using monitoring data and generalized additive modelling. We then investigated the year-to-year variability in the seasonal patterns of presence using functional data analysis (FDA). FDA separated the variability due to population size from variability due to differences in timing of presence. We found that Longfin Smelt have consistent seasonal distribution patterns and that two trawl types were needed to accurately describe those patterns. After accounting for variability due to year-class strength, shifts in the timing of presence were evident in three regions. The most variable period for the upstream regions Suisun Bay and West Delta was for age-0 fish in summer and for the downstream region Central Bay was for age-0 fish in late fall. This manifested as a delay in the typical fall re-occupation of upstream regions that comprise the study area for another monitoring study (Fall Midwater Trawl). Thus, a portion of the recent reductions in Fall Midwater Trawl abundance of Longfin Smelt resulted from changes in behavior rather than a decline in abundance. The presence of multiple monitoring surveys allowed analysis of distribution from one data set to aid interpretation of patterns in abundance from another monitoring survey. This study highlights how identifying portions of the life cycle with the most and least variability in distribution can help inform the types of management strategies that will be most effective. It also illustrates an analytical method that can be used to address the problem of confounded effects of abundance and behavior on patterns in monitoring data.

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

Modularity in the construction of industrial robots is becoming increasingly popular, as the modules can be assembled in different ways so as to obtain various architectures of industrial robots determined by the requirements of specific applications. Such a robot with modular structure is considered in this paper. The tracked mobile robot, with translation – rotation – translation – translation – rotation (TRTTR) modular serial structure, is the subject of national invention patent number RO132301 B1/2021, granted by the State Office for Inventions and Trademarks of Bucharest, to “Nicolae Bălcescu” Land Forces Academy of Sibiu, Romania [1]. The tracked mobile robot has been designed to perform the task of humanitarian demining operations and the mechanical structure, respectively the kinematic analysis were described in detail in papers [1,2]. A first general objective of this paper is to highlight a dynamic-organological method to achieve an architectural structure of mobile robot on tracks, able to replace the human element in areas with high risk for health and life, for detection and demining anti-personnel and anti-armor minefields in countries where military conflicts have taken place. For this scope it was performed the dynamic modeling using the Lagrange’s formalism and to achieve the constructive optimization of the TRTTR mechanical structure, in order to obtain a minimum energy consumption through an optimal arrangement of the modules in its structure. A second objective is to improve the action flexibility of the technological product in humanitarian detection and demining operations, as well as for educational purposes, by training highly educated and specialized human resources in the field of advanced military technologies. The differential equations of motion of the robot has obtained and respectively the mechanical design equations, which lead to the optimal choice of the drive motors of the modules in the robot structure. Also, it is presented the mathematical model for obtaining the driving motor of base translation modulus (MTB SIL) of the modular serial tracked robot and the constructive solution of the MTB SIL module.

Ecologists use the net biotic interactions among plants as a major factor to predict other ecosystem features, such as species diversity, community structure, or plant atmospheric carbon uptake. By adopting this approach, ecologists have built a giant body of theory founded on observational evidence. However, growing evidence points out that this may not be the right approach. The literature addressing the biophysical mechanisms underlying the plant interactions is much scarcer. A rising number of scientists claim the need for a mechanistic understanding of plant interactions due to the limitations that a phenomenological approach raises both in empirical and theoretical studies. Scattered studies have recently taken such a mechanistic approach, but we still lack a general theoretical framework to study mechanistically plant interactions. In this review, we first recapitulate the elementary units of plant interactions, i.e., all the known biophysical processes affected by the presence of an influencing plant and the possible phenotypic responses of plants influenced by those processes. Second, we discuss how a net interaction between two plants emerges from the simultaneous effect of these elementary units. Third, we touch upon the spatial and temporal variability of the net interaction and discuss the links between this variability and the underlying biophysical processes. We conclude by discussing how to integrate these processes into a mechanistic framework for plant interactions that must necessarily focus on the individual scale and explicitly incorporate the spatial structure of the community and environmental factors: the plant interaction models (PIM). A PIM incorporates a pair or few plants interacting with their physical environment so that the biotic interaction is not imposed but emerges from the model. This type of model can provide concise, mechanistic hypotheses to be tested empirically. This review calls for a paradigm shift in the ecology of plant interactions, from the classic species interaction study towards a more mechanistic individual-level approach. It also presents a comprehensive foundation for studying the mechanisms underpinning the net interaction between two plants.

A simple model is developed for membrane fouling, taking into account two main fouling phenomena: cake formation, due to attached solids onto the membrane surface and pores clogging, due to retained compounds inside the pores. The model is coupled with a simple anaerobic digestion model for describing the dynamics of an Anaerobic Membrane BioReactor (AnMBR). In simulations, we investigate its qualitative behavior: it is shown that the model exhibits satisfying properties in terms of flux decrease due to membrane fouling. Comparing simulation and experimental data, the model is shown to predict quite well the dynamics of an AnMBR. The simulated flux best fits the experimental flux with a correlation coefficient r2=0.968 for the calibration data set and r2=0.938 for the validation data set. General discussions are given on possible control strategies to limit fouling and optimize the flux production. We show in simulations that these strategies allow one to increase the mean production flux to 33 L/(h.m2), whereas without control it was 18 L/(h.m2).

University course scheduling (UCS) is one of the most important and time-consuming issues that all educational institutions face yearly. Most of the existing techniques to model and solve UCS problems have applied approximate methods, which are different in terms of efficiency, performance, and optimization speed. Accordingly, this research aims to apply an exact optimization method to provide an optimal solution to the course scheduling problem. In other words, in this research, an integer programming model is presented to solve the USC problem. In this model, hard and soft constraints include the facilities of classrooms, courses of different levels and compression of students' curriculum, courses outside the faculty and planning for them, and the limited time allocated to the professors. The objective is to maximize the weighted sum of allocating available times to professors based on their preferences in all periods. To evaluate the presented model's feasibility, it is implemented using the GAMS software. Finally, the presented model is solved in a larger dimension using a real data set from a college in China and compared with the current program in the same college. The obtained results show that considering the mathematical model's constraints and objective function, the faculty courses' timetable is reduced from 4 days a week to 3 working days. Moreover, master courses are planned in two days, and the courses in the educational groups do not interfere with each other. Furthermore, by implementing the proposed model for the real case study, the maximum teaching hours of the professors are significantly reduced. The results demonstrate the efficiency of the proposed model and solution method in terms of optimization speed and solution accuracy.

Saudi Arabia is a prominent producers of dates, with 1.6 million tons annually. There is a need to evaluate physical properties and quality of fruits non-destructively and then be modeled and predicted throughout the storage period. The aim of the current study was to generate a quality index (Qi) and Near-infrared spectra (NIR) models non-destructively to predict properties of Barhi dates fruits including objective and sensory evaluations. The engineering properties of Barhi dates were measured and modeled with quality index (Qi) based on NIR of fresh Barhi fruits (hardness, color, TSS, pH, and sensory evaluations) and during storage in cold, ambient, and controlled at-mosphere (CA) for up to four months. The prediction of Qi is non- destructively based on NIR utilizing PLSR and ANN data analysis. The results showed that the Qi generated corresponds with high precision to the characteristics of the examined fruits through the duration of the storage period with R2 of 0.96. The NIR spectrum proves to be an efficient method to evaluate the Barhi fruits' quality index. where ANN was found to be more suitable than PLSR analysis. Thus, NIR can be utilized to accurately predict the Qi of fruits quality effectively throughout the handling, processing, transporting, storage, and retail sector supply chain.

The outbreak of 2019-novel coronavirus (SARS-CoV-2) that causes severe respiratory infection (COVID-19) has spread in China, and the world health organization declared it pandemic. However, no approved drug or vaccines are available, and treatment is mainly supportive and through a few repurposed drugs. In this urgency situation, development of SARS-CoV-2 based vaccines is immediately required. Immunoinformatic and molecular modelling are generally used time-efficient methods to accelerate the discovery and design of the candidate peptides for vaccine development. In recent years, the use of multiepitope vaccines is proved to be a promising immunization strategy against viruses and pathogens, which induce more comprehensive protective immunity. The current study demonstrated a comprehensive in-silico strategy to design stable multiepitope vaccine construct (MVC) from B-cell and T-cell epitopes of essential SARS-CoV-2 proteins with the help of adjuvants and linkers. The integrated molecular dynamics simulations analysis revealed the stability of MVC and its interaction with human Toll-like receptors (TLRs), which trigger an innate and adaptive immune response. Later, the in-silico cloning in a known pET28a vector system also estimated the possibility of MVC expression in E. Coli. Despite this study lacks validation of this vaccine construct in terms of its efficacy, the current integrated strategy encompasses the initial multiple epitope vaccine design concepts. After validation, this MVC can present to be a better prophylactic solution against COVID-19.

Crop yield prediction is relevant subject of current agricultural science. There are various mathematical approaches to crop yield prediction, and regression analysis, notwithstanding the fact that it is somewhat outdated, is still one of the most used ones in this purpose. The quality of predictive model is of great importance, and it is strongly dependent on the rational choice of the target function. The goal of this study is to find out the best regression model for winter wheat, soybeans, and grain corn yield prediction depending on the crops’ water use. The data on true crops’ yields and water use were collected within 1970-2020 at the experimental fields of the Institute of Climate-Smart Agriculture, Kherson region, Ukraine. In total, 145 data pairs were processed by the best subsets regression to find out the best model in terms of fitting quality (assessed by the Pearson’s coefficient of correlation), and prediction accuracy (assessed by the values of the minimum and maximum absolute errors and mean average percentage error). As a result, it was established that the best fitting quality for all the studied crops is attributed to cubic function, while the best accuracy is recorded for hyperbolic (reverse) function in soybeans (mean absolute percentage error is 12.27%), quadratic and hyperbolic functions in winter wheat (mean absolute percentage error is 20.54%), and cubic function in grain corn (mean absolute percentage error is 14.92%). To sum up the results of the study, it is recommended to apply cubic regression function for modeling crops’ yields in agricultural studies.

Chronic pulmonary diseases such as asthma, COPD, and Idiopathic pulmonary fibrosis are significant causes of mortality and morbidity worldwide. Currently, there is no radical treatment for many chronic pulmonary diseases, and the treatment options focus on relieving the symptoms and improving lung function. Therefore, efficient therapeutic agents are highly needed. Bronchial epithelial cells and airway smooth muscle cells and their crosstalk play a significant role in the pathogenesis of these diseases. Thus, targeting the interactions of these two cell types could open the door to a new generation of effective therapeutic options. However, the studies on how these two cell types interact and how their crosstalk adds up to respiratory diseases are not well established. With the rise of modern research tools and technology, such as lab-on-chip, organoids, co-culture techniques, and advanced immunofluorescence imaging, a substantial degree of evidence about these cell interactions emerged. Hence, this contribution aims to summarize the growing evidence of bronchial epithelial cells and airway smooth muscle cells crosstalk under normal and pathophysiological conditions. The review first deliberates the effects of both healthy and stressed epithelial cells on airway smooth muscle cells, taking into account three themes; contraction, migration, and proliferation. Then, it discusses the impact of airway smooth muscle cells on the epithelium in inflammatory settings. Later, it examines the role of airway smooth muscle cells in the early development of bronchial epithelial cells and their recovery after injury.

This paper describes the use of a new obtrusive light module of the Illumina v2 model to estimate the light that may enter bedroom windows. We used as input to the model, 1- the sources’ flux and spectrum derived from the color images taken by astronauts from the international space station, 2- an association between source spectrum and angular emission, and 3- a per zone inventory of obstacles properties and lamp height. The model calculate the spectral irradiance incident to buildings’ windows taking into account for the orientation of the street. By using the color information from an ISS image, we can classify pixels as a function of their spectra. With the same image, it is also possible to determine the upward photopic radiance for each pixel. Both serve as inputs to the model to calculate the spectral irradiance on any window. By having the spectral irradiance, it is possible to determine the Melatonin Suppression Index and the photopic irradiance on the window. Such information can later be used to perform epidemiological studies. The new methodology is applied to the case of Montréal in Canada for a set of houses’ locations. The computations are made for 2013 (pre-LED era).

Current study aims to evaluate the possibilities to increase part strength by optimizing the FFF process parameters. Five different CAD models of parts with same coupling dimensions but different shape inherited from a recent study were converted into test samples with Ultimaker 2 3D printer. The main measure of success was the sample strength, defined as the load at which the first crack in the stressed area of the part appeared. Three different modifications to the FFF process with verified positive effect on interlayer bonding were applied. First modification included raising the extrusion temperature and disabling printed part cooling. Second modification consisted in reduction of the layer thickness. Third modification combined the effects of the first and the second ones. For four out of five shapes tested applied process modifications resulted in significant strengthening of the part. The shape that exhibited the best results was subject to further research by creating special printing mode. The mode included fine-tuning of three technological parameters on different stages of the part fabrication. As result it was possible to increase the part strength by 108% only by tuning printing parameters of the best shape designed with increasing its weight by 8%.

Recent advances in sensor and platform technologies such as satellite systems, unmanned aerial vehicles (UAV), manned aerial platforms, and ground-based sensor networks have resulted in massive volumes of data is produced and collected about the earth. Processing, managing, and analyzing these data is one of the main challenges in 3D synthetic representation used in modeling and simulation (M&S) of the natural environment. M&S devices, such as flight simulators, traditionally require a variety of different databases to provide a synthetic representation of the world. M&S often requires integration of data from a variety of sources stored in different formats. Thus, for simulation of a complex synthetic environment, such as a 3D terrain model, tackling interoperability among its components (geospatial data, natural and man-made objects, dynamic and static models) is a critical challenge. Conventional approaches used local proprietary data models and formats. These approaches often lacked interoperability and created silos of content within the simulation community. Therefore, open geospatial standards are increasingly perceived as a means to promote interoperability and reusability for 3D M&S. In this paper, the Open Geospatial Consortium (OGC) CDB Standard is introduced. “CDB” originally refers to Common DataBase which is currently considered as a name with no abbreviation in the OGC community. The OGC CDB is an international standard for structuring, modeling, and storing geospatial information required in high performance modeling and simulation applications. CDB defines the core conceptual models, use cases, requirements, and specifications for employing geospatial data in 3D M&S. The main features of the OGC CDB Standard are described as run-time performance, full plug-and-play interoperable geospatial data store, usefulness in 3D and dynamic simulation environment, ability to integrate proprietary and open-source data formats. Furthermore, compatibility with the OGC standards baseline reduces the complexity of discovering, transforming, and streaming geospatial data into the synthetic environment and makes them more widely acceptable to major geospatial data/software producers. This paper includes an overview of OGC CDB version 1.0 which defines a conceptual model and file structure for the storage, access, and modification of a multi-resolution 3D synthetic environment data store. Finally, this paper presents a perspective of future versions of the OGC CDB and what the steps are for humanizing the OGC CDB standard with the other OGC/ISO standards baseline.

The number and size of computational models in biology have drastically increased over the past years and continue to grow. Modeled networks are becoming more complex, and reconstructing them from the beginning in an exchangeable and reproducible manner is challenging. Using precisely defined ontologies enables the encoding of field-specific knowledge and the association of disparate data types. In computational modeling, the medium for representing domain knowledge is the set of orthogonal structured controlled vocabularies named Systems Biology Ontology ( SBO). The SBO terms enable modelers to explicitly define and unambiguously describe model entities, including their roles and characteristics. Here, we present the first standalone tool that automatically assigns SBO terms to multiple entities of a given SBML model, named the SBOannotator. The main focus lies on the reactions, as the correct assignment of precise SBO annotations requires their extensive classification. Our implementation does not consider only top-level terms but examines the functionality of the underlying enzymes to allocate precise and highly specific ontology terms to biochemical reactions. Transport reactions are examined separately and are classified based on the mechanism of molecule transport. Pseudo-reactions that serve modeling purposes are given reasonable terms to distinguish between biomass production and the import or export of metabolites. Finally, other model entities, such as metabolites and genes, are annotated with appropriate terms. Including SBO annotations in the models will enhance the reproducibility, usability, and analysis of biochemical networks. Availability: The open-source project SBOannotator is freely available under the terms of LGPL version 3.0 from https://github.com/draeger-lab/SBOannotator/.

Current paper investigates the influence of hardware setup and parameters of a 3D printing process based on fused filament fabrication (FFF) technology on resulting sample strength. Three-point bending of samples printed with long side oriented along Z axis was used as a measure of the interlayer bonding strength. The same CAD model was converted into NC-programs through same slicing software to be run on four different desktop FFF 3D printers, out of filament of same brand and color. Within all the printers same ranges of layer thickness values from 0.1 to 0.3 mm and feed rates from 25 to 75 mm/s were planned to be varied. All the machines demonstrated statistically almost identical values of maximum flexural strength, however the different machines exhibited maximum sample strength with different combinations of varied parameters. Among all the hardware factors observed, the most important was proved to be extruder type, direct or Bowden. This feature fundamentally changes the nature of studied parameters influence onto the resulting strength of the FFF process. For the extruders of Bowden type the length of flexible guiding tube is of great importance.All the machines demonstrated statistically almost identical values of maximum flexural strength, however the different machines exhibited maximum sample strength with different combinations of varied parameters. Among all the hardware factors observed, the most important was proved to be extruder type, direct or Bowden. This feature fundamentally changes the nature of studied parameters influence onto the resulting strength of the FFF process. For the extruders of Bowden type the length of flexible guiding tube is of great importance.

Machine performance modeling and optimization have emerged as crucial steps for process enhancement and efficiency. This study explored machine learning to model and optimize the cassava grating chamber of cassava grater for the quality production of gari. This domain remains unexplored thus far. A total of 196 graters were studied. Key variables studied included tooth diameter (TD), tooth height (TH), inter-tooth spacing (ITS), drum speed (DS), clearance (C), and moisture content of cassava (MC). Geometric mean diameter (GMD) represented mash quality. Feature importance rankings emphasized TH (0.488784), C (0.243284), TD (0.112682), ITS (0.103547), DS (0.036261), and MC (0.015442) in determining particle size (GMD) of grated mash. Machine learning models efficiently interpreted these attributes, including gradient boost regressor, linear regression, neural network, and random forest. The gradient boost regressor was the best predictive model, achieving 95.34% accuracy, RMSE (0.3291), and MAE (0.2303). The study provides a GMD predictive equation and optimized parameters for specific gari size production, offering valuable insights for tailored machinery in the cassava grating activity.

Leaf area estimation is a critical component in the study of plant growth and productivity within agricultural systems. This research introduces the LeafArea package, a specialized tool designed to calculate the leaf area of six distinct Andean fruit species: S. quitoense, S. betaceum, P. peruviana, R. fruticosus, P. ligularis and P. edulis. Leveraging response variables such as species type, leaf length and width, the package employs advanced machine learning algorithms to estimate leaf area accurately. The primary focus of the study is to identify the most effective model for describing the relationship between leaf width, length, and area for each plant species. Currently, the LeafArea package utilizes four different machine learning algorithms, namely generalized linear model (GLM), generalized linear mixed model (GLMM), Random Forest and XGBoost. Among these, XGBoost stands out as a top-performing algorithm, exhibiting exceptional predictive accuracy. The evaluation metrics employed in the program provide valuable insights for researchers, aiding in informed decision-making. Specifically, XGBoost demonstrates significantly lower prediction errors and approaches a near-perfect R2 value, emphasizing its potential to enhance predictive accuracy. These results underscore the efficacy of machine learning techniques, as a compelling choice for researchers seeking precise and robust predictions in leaf area estimation. The LeafArea package thus represents a valuable tool for advancing our understanding of plant growth dynamics, resource allocation, and overall productivity within agricultural ecosystems.

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.

The methanation of CO2 is of great interest in power-to-gas systems and contributes to the mitigation of climate change through carbon dioxide capture and the subsequent production of high value-added products. This study investigated CO2 methanation with three Ni catalysts supported on Al2O3 and ZrO2, which were simulated using a mathematical model of a packed bed reactor designed based on their chemical kinetics reported in the literature. The simulated reactive system was fed with syngas obtained from residual coffee pulp, obtained after solvent phytochemical extraction process, under several gasification conditions. The results reflect a high incidence of catalyst support, preparation method, and syngas composition on CO2 conversion and CH4 selectivity. For all the syngas compositions, Ni/ZrO2 catalysts show the best values for CO2 conversion and CH4 selectivity for Ni/Al2O3 catalyst.

These years, disease-causing and disabling diseases have caused great concern. Neurological, musculoskeletal disorders are diverse and affect people of a wide range of ages. And the lack of comprehensive diagnostic methods places a huge burden on healthcare systems and social economies. In this paper, the current status of clinical research on neuromuscular diseases is introduced, and the advantages of magnetic field measurement compared with clinical diagnostic methods are illustrated. The paper makes a comprehensive description about the related technology of superconducting quantum interference devices (SQUIDs), magnetic field detection noise suppression scheme, the development trend of sensor detection system, and the application and model establishment of neuromuscular magnetic field. The current researches and developments in the worldwide are compared simultaneously in this paper and finally the conclusions and outlook are put forward. This review will be very interesting and helpful to the scientific community.

SGLT2 inhibitors act to induce glucosuria and have been shown to be efficacious in the treatment of type II diabetes mellitus but have also been shown to positively affect cardiovascular conditions and some benefitting kidney function. SGLT2i have shown to be effective in more advanced conditions but may eventually be a treatment in more general metabolic dysfunction. Metabolic syndrome is a clinical diagnosis for establishing risk for ischemic heart disease and diabetes. The prevalence of type II diabetes mellitus, heart disease, and severe vascular events steadily increased over recent decades. In addition to the established benefits of diet and exercise, SGLT2 inhibitor therapy may be able to aid in the treatment of metabolic syndrome from its proven cardiovascular and anti-hyperglycemic benefits. Pharmacologic modeling in canines is also considered, as they present with similar diagnoses and offer a model that shares many of the characteristics of humans in metabolic dysfunction.

The deep geothermal industrial project at Soultz-sous-Forêts is located in the Upper Rhine Graben, France. As part of the MEET project, this study aims to evaluate the possibility of extracting higher amounts of energy from the existing industrial infrastructure. To achieve this objective, the effect of reinjecting fluid at lower temperature than the current fluid injection temperature of 70 ℃ was modelled and the drop in the production wellhead temperature for 100 years of operation was quantified. Two injection-production rate scenarios were considered and compared for their effect on overall production wellhead temperature. For each scenario, reinjection temperatures of 40 ℃, 50 ℃ and 60 ℃ were chosen and compared with the 70 ℃ injection case. For the lower production rate scenario, the results show that the production wellhead temperature is approximately 1-1.5 ℃ higher than for the higher production rate scenario after 100 years of operation. In conclusion, no significant thermal breakthrough has been observed with the applied flow rates and lowered injection temperatures even after 100 years of operation.

A position sensing glove, called SmartScan, that creates a 3D virtual model of a real object is presented. The data from the glove is processed by a volume minimization algorithm to validate the position sensor data. This allows only data from the object’s surface to be retained. The data validation algorithm allows the user to progressively improve an image by repeatedly moving their hand over the object. In addition, the user can choose their own balance between feature resolution and invalid data rejection. The SmartScan glove is tested on a foot model and is shown to be robust against motion artifacts, and has a mean accuracy of 2.9 mm (compared to a 3D model generated from optical imaging) without calibration.

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

Background Although aminoglycosides are often used as treatment for Gram-Negative infections, optimal dosing regimens remains unclear, especially in ICU patients. This is due to a large between- and within-subject variability in the aminoglycosides’ pharmacokinetics in this population. Objective The review provides comprehensive data on the pharmacokinetics of aminoglycosides in patients hospitalized in ICU by summarizing all published PopPK models in ICU patients for amikacin, gentamicin, and tobramycin. The objective was to determine the presence of a consensus on the structural model used, significant covariates included, and therapeutic targets considered during dosing regimen simulations. Methods A literature search was conducted from the Medline/PubMed database, using the terms: ‘amikacin’, ’gentamicin’, ’tobramycin’, ‘pharmacokinetic(s)’, nonlinear mixed effect’, population’, ‘intensive care’ and ‘critically ill’. Results Nineteen articles were retained where amikacin, gentamicin and tobramycin pharmacokinetics were described in six, eleven and five models, respectively. Two-compartment model best described amikacin and tobramycin pharmacokinetics, whereas one-compartment model majorly described gentamicin pharmacokinetics. The most recurrent significant covariates were renal clearance and bodyweight. Across all aminoglycosides, mean interindividual variability in clearance and volume of distribution were 41.6% and 22.0%, respectively. A common consensus for an optimal dosing regimen for each aminoglycoside was not reached. Conclusion This review showed models developed for amikacin, from 2015 until now and for gentamicin and tobramycin from the past decades. Despite growing challenges of external evaluation, the latter should be more considered during model development. Further research including new covariates, additional simulated dosing regimens and external validation should be considered to better understand aminoglycosides pharmacokinetics in ICU patients.

This paper presents a simple and fast technique of multifractal traffic modeling. It proposes a method of fitting model to a given traffic trace. A comparison of simulation results obtained for an exemplary trace, multifractal model and Markov Modulated Poisson Process models has been performed.

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

Effective water resources management requires assessments of water availability within a framework of complex institutions and infrastructure employed to manage extremely variable stream flow shared by numerous often competing water users and diverse types of use. The Water Rights Analysis Package (WRAP) modeling system is fundamental to water allocation and planning in the state of Texas in the United States. Integration of environmental flow standards into both the modeling system and comprehensive statewide water management is a high priority for continuing research and development. The public domain WRAP software and documentation are generalized for application any place in the world. Lessons learned in developing and implementing the modeling system in Texas are relevant worldwide. The modeling system combines: (1) detailed simulation of water right systems, interstate compacts, international treaties, federal/state/local agreements, and operations of storage and conveyance facilities; (2) simulation of river system hydrology; and (3) statistical frequency and reliability analyses. The continually evolving modeling system has been implemented in Texas by a water management community that includes the state legislature, planning and regulatory agencies, river authorities, water districts, cities, industries, engineering consulting firms, and university researchers. The shared modeling system contributes significantly to integration of water allocation, planning, system operations, and research.

A Mamdani-type fuzzy-logic model has been developed to link Mediterranean seagrass abundance to the prevailing environmental conditions. Big Databases, as UNEP-WCMC (seagrass abundance), CMEMS and EMODnet (oceanographic/environmental) and human-impact parameters were utilized for this expert system. Model structure and input parameters were tested according to their capacity to accurately predict seagrass families at specific locations. The optimum FIS comprised of four input variables: water depth, sea surface temperature and nitrates and bottom chlorophyll-a concentration, exhibiting fair accuracy (76%). Results illustrated that Posidoniaceae prefers cool (16-18oC) and low chlorophyll-a presence (< 0.2 mg/m3); Zosteraceae favors cool (16-18oC) and mesotrophic waters (Chl-a > 0.2 mg/m3), but also slightly warmer (18-19.5 oC) with lower Chl-a levels (< 0.2 mg/m3); Cymodoceaceae lives from warm, oligotrophic (19.5-21.0oC and Chl-a < 0.3 mg/m3) to moderately warm mesotrophic sites (18-21.3oC and 0.3 – 0.4 mg/m3 Chl-a). Finally, Hydrocharitaceae thrives in warm Mediterranaean waters (21-23oC) of low chlorophyll-a content (< 0.25 mg/m3). Climate change scenarios showed that Posidoniaceae and Zosteraceae tolerate bathymetric changes, Posidoniaceae and Zosteraceae are mostly affected by sea temperature rise, while Hydrocharitaceae exhibits tolerance in higher sea temperature rise. This FIS could be used by national and regional policy-makers and public authorities.

Biological gels (bio-gels) are hydrated polymer networks that serve diverse biological functions, which often lead to intentional or unintentional exposure to particulate matter. In this work, we derive a microscopically motivated framework that enables the investigation of penetration mechanisms into bio-gels. We distinguish between two types of mechanisms: spontaneous (unforced) penetration and forced penetration. Using experimental data available in literature, we exploit the proposed model to characterize and compare between the micro-structures of respiratory, intestinal, and cervicovaginal mucus and two types of biofilms. Next, we investigate the forced penetration process of spherical and ellipsoidal particles into a locally quadrilateral network. The proposed framework can be used to improve and complement the analysis of experimental findings in vitro, ex vivo, and in vivo. Additionally, the insights from this work pave the way towards enhanced designs of nano-medicines and allow to assess risk factors related to the nano-pollutants exposure.

A novel coronavirus called 2019-nCoV was recently found in Wuhan, Hubei Province of China, and now is spreading across China and other parts of the world. 2019-nCoV spreads more rapidly than SARS-CoV. Unfortunately, there is no drug to combat the virus. It is of high significance to develop a drug that can combat the virus effectively before the situation gets worse. It usually takes a much longer time to develop a drug using traditional methods. For 2019-nCoV, it is now better to rely on some alternative methods to develop drugs that can combat such a disease effectively since 2019-nCoV is highly homologous to SARS-CoV. In this paper, we first collected virus RNA sequences from the GISAID database, translated the RNA sequences into protein sequences, and built a protein 3D model using homology modeling. Coronavirus main protease is considered to be a major therapeutic target, thus this paper focused on drug screening based on the modeled 2019-nCov_main_protease structure. The deep learning based method DFCNN, developed by our group, can identify/rank the protein-ligand interactions with relatively high accuracy. DFCNN is capable of performing virtual screening quickly since no docking or molecular dynamic simulation is needed. DFCNN identifies potential drugs for 2019-nCoV protease by performing drug screening against 4 chemical compound databases. Also, we performed drug screening for all tripeptides against the binding site of 2019-nCov_main_protease since peptides often show better stability, more bio-availability and negligible immune responses. In the end, we provided the list of possible chemical ligands and peptide drugs for experimental validation.

Project complexity is usually considered as one of main causes of cost overruns, resulting in poor performance and thus project failure. However, empirical studies focused on evaluating its effects on project cost remain lacking. Given this circumstance, this study attempts to develop the relationships between project cost and the multidimensional project complexity elements. We establish complexity as a multidimensional factor including the task, organization, market, legal, and environment complexities. This study uses an empirical evidence-based structural model to account for the relationships between project cost and project complexity. By doing so, a quantitative assessment of multi-dimensional project complexity has been developed. The findings suggest that task and organization complexities have direct effects on project cost, while market, legal and external environment complexities have indirect effects on project cost. The practical contribution is that the findings can improve the understanding of which dimension of complexity significantly influence project cost, and the need to focus efforts on strategically addressing that complexities.

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

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

The author demonstrates a stable Lagrangian solid modeling method, tracking the interactions of solid mass particles rather than using a meshed grid. This numerical method avoids the problem of tensile instability often seen with smooth particle applied mechanics by having the solid particles apply stresses expected with Hooke's law, as opposed to using a smoothing function for neighboring solid particles. This method has been tested successfully with a bar in tension, compression, and shear, as well as a disk compressed into a flat plate, and the numerical model consistently matched the analytical Hooke's law as well as Hertz contact theory for all examples. The solid modeling numerical method was then built into a 2-D model of a pressure vessel, which was tested with liquid water particles under pressure and simulated with smoothed particle hydrodynamics. This simulation was stable, and demonstrated the feasibility of Lagrangian specification modeling for fluid–solid interactions.

Manufacturing organizations shall recognize sustainability as a business occasion to capitalize on, rather than an undesirable pressing situation. Still, empirical evidence shows that this opportunity is hard to capture and communicate in global strategic decisions, through planning by tactical management, to daily operational activities. This paper systematically reviews the modeling challenges at the crossroad of value and sustainability decisions making, spotlighting methods and tools proposed in literature to link sustainability to customer value creation at strategic, tactical and operational level. While statistical results show that the topic of sustainability and value modeling is trending in literature, findings from content analysis reveal that recent attempts to promote a value-based view in the sustainability discussion remain at a strategic level, with most of the proposed indicators being suited for managerial decision-making. The lack of support at operational level points to the opportunity of cross-pollinating sustainability research with value-centered methodologies originating from the aerospace sector. The Value Driven Design framework is proposed as main hub from which to derive models supporting engineers and technology developers in the identification of win-win-win situations, where sustainable improvements are aligned with business advantages.

This paper shows a method for pipeline leak detection using a transient-based method with MATLAB® functions. The simulation of a pipeline systems in the time domain are very complex. In the case of the dissipative model, transfer functions are hyperbolic Bessel functions. Simulating a pipeline system in the frequency domain using a dissipative model we could find an approximate transfer function with equal frequency domain response to in order get the pipeline system's time domain response. The method described in this paper can be used to detect, by comparison, to detect a leak in a pipeline system model.

Temperature field is an essential attribute of metal additive manufacturing in view of its bearings on the prediction, control, and optimization of residual stress, part distortion, fatigue, balling effect, etc. This work provides an analytical physics-based approach to investigate the effect of scan strategy parameters including time delay between two irradiations and hatching space on thermal material properties and melt pool geometry. This approach is performed through the analysis of the distribution of material properties and temperature profile in three-dimensional space. The moving point heat source approach is used to predict the temperature field. To predict the temperature field during the additive manufacturing process some important phenomena are considered. 1) Due to the high magnitude of temperature in the presence of the laser, the temperature gradient is usually high which has a crucial influence on thermal material properties. Consequently, the thermal material properties of stainless steel grade 316L are considered to be temperature-dependent. 2) Due to the repeated heating and cooling, part usually undergoes several melting and solidification cycles. This physical phenomenon is considered by modifying the heat capacity using the latent heat of melting. 3) The multi-layer aspect of metal AM process is considered by incorporating the temperature history from the previous layer since the interaction of the successive layers has an impact on heat transfer mechanisms. 4) Effect of heat affected zone on thermal material properties is considered by the superposition of material properties in regions where the temperature fields of two consecutive irradiations have an overlap since the consecutive irradiations change the behavior of the material properties. The goals are to 1) investigate the effects of temperature-sensitive material properties and constant material properties on the temperature field. 2) Study the behavior of thermal material properties under different scan strategies. 3) Study the importance of considering the effect of heat affected zone on thermal material through the prediction of melt pool geometry. 4) Investigate the effect of hatching space on melt pool geometry. This work is purely employed physics-based analytical models to predict the behavior of material properties and temperature field under different process conditions, and no finite element modeling is used.

The problem of identifying functional regions in an urban setting has been approached in literature using two general methodologies: top-down, encoding expert knowledge on urban planning and design (e.g. into patterns) and using that knowledge for identification, and bottom-up, relying on crowdsourcing and Volunteered Geographic Information (VGI) to train learning models, using techniques such as Latent Dirichlet Allocation (LDA) topic modeling. Both approaches have their advantages but also face important limitations, with knowledge-based approaches being criticized for scalability and transferability issues and data-driven approaches for lacking interpretability and depending heavily on data quality. To mitigate these disadvantages, we propose a novel framework that fuses data and knowledge in three different ways: functional regions identified from individual approaches are evaluated against each other, knowledge from patterns is used to adjust learning model results and topic models are used to adjust pattern-based results. The proposed methodologies are demonstrated through the use case of identifying shopping-related functional regions in the Los Angeles metropolitan area. Results show that the combination of results from knowledge-based and data-driven techniques can help uncover discrepancies between the two different approaches and smoothen inaccuracies caused by the limitations of each approach.

The purpose of this study was to assess the extent to which self-esteem and depression mediated the influence of internalized stigma on life satisfaction among Korean out-of-school youths. Cross-sectional data on 318 youths provided information on perceived stigma, self-esteem, depression, life satisfaction, and personal characteristics. A multinomial logistic regression analysis was followed by structured path analysis to investigate the mediation effects. Internalized stigma was negatively associated with life satisfaction. Self-esteem significantly mediated the influence of stigma on depression and the influence of depression on life satisfaction. Further, stigma directly and significantly influenced depression. This study demonstrated that self-esteem and depression were important to the relationship between internalized stigma and life satisfaction. Implications for possible policies and programs with the aim of helping out-of-school youths to integrate and lead successful satisfying lives are discussed.

Restoration experience is a positive response against the ever-increasing problem of stress. It is recovery of attentional capacity, clearing random thoughts and feelings of relaxation and calmness. Although there is a body of research on investigating the impact of open green space characteristics on psycho- logical restoration through attention restoration theory and supportive environment theory, there is little knowledge on how the interaction among these characteristics could promote restorative outcomes. To address this problem, using Perceived Sensory Dimension (PSD) for open green space qualities and Perceived Restorativeness (PR) as the property of restorative environment, this study assessed the extent to which the PSD and PR impact on restoration experience. Using 444 screened surveys, a Partial Least Square Structural Equation Model (PLS-SEM) was developed and the validity and reliability of it, was demonstrated. Extensive analysis of the results showed how environmental qualities can promote restoration experience using a sample of university students. These results provide information for landscape architecture and planning researchers to promote the development of open spaces as a resource of psychological restoration and stress relief.

This study investigates the dynamic characteristics of Natural Rubber (NR)/Polybutadiene Rubber (PBR) based hybrid magnetorheological elastomer (MRE) sandwich composite beams through numerical simulations and finite element analysis, employing Reddy's third-order shear defor-mation theory. Four distinct hybrid MRE sandwich configurations were examined. The validity of finite element simulations was confirmed by comparing them with results from magnetorheo-logical (MR) fluid-based composites. Further, parametric analysis explored the influence of magnetic field intensity, boundary conditions, ply orientation, and core thickness on beam vi-bration responses. Results reveal a notable 10.4% enhancement in natural frequencies in SC4-based beams under a 600mT magnetic field with clamped-free boundary conditions, attributed to in-creased PBR content in MR elastomer cores. However, higher magnetic field intensities result in slight frequency decrements due to filler particle agglomeration. Additionally, augmenting magnetic field intensity and magnetorheological content under clamped-free conditions improves the loss factor by 66% to 136%, presenting promising prospects for advanced applications. This research contributes to a comprehensive understanding of dynamic behavior and performance enhancement in hybrid MRE sandwich composites, holding significant implications for engi-neering applications. Furthermore, this investigation provides valuable insights into the intricate interplay between magnetic field effects, composite architecture, and vibration response.

The possibility of using additive manufacturing (AM) in the medicine area has created a new opportunities in health care. This has contributed to a sharp increase in demand for 3D printers, their systems and materials that are adapted to strict medical requirements. We described herein a medical-grade thermoplastic polyurethane (S-TPU), which was developed and then formed into a filament for Fused Deposition Modeling (FDM) 3D printers during a melt-extrusion process. S-TPU consisting of aliphatic hexamethylene 1,6-diisocyanate (HDI), amorphous α,ω-dihydroxy(ethylene-butylene adipate) (PEBA) and 1,4 butandiol (BDO) as a chain extender, was synthesized without the use of a catalyst. The filament properties were characterized by rheological, mechanical, physico-chemical and in vitro biological properties. The tests showed biocompatibility of the obtained filament as well as revealed no significant effect of the filament formation process on its properties. This study may contribute to expanding the range of medical-grade flexible filaments for standard low-budget FDM printers.

Selective laser melting (SLM) is one of the widely used techniques in metallic additive manufacturing, in which high-density laser powder is utilized to selectively melting layers of powders to create geometrically complex parts. Temperature distribution and molten pool geometry directly determine the balling effect, and concentrated balling phenomenon significantly deteriorates surface integrity and mechanical properties of the part. Finite element models have been developed to predict temperature distribution and molten pool geometry, but they were computationally expensive. In this paper, the three-dimensional temperature distributions are predicted by analytical models using point moving heat source and semi-ellipsoidal moving source respectively. The molten pool dimensions under various process conditions are obtained from the three-dimensional temperature predictions and experimentally validated. Ti-6Al-4V alloy is chosen for the investigation. Good agreements between the predictions and the measurements are observed. The presented models are also suitable for other metallic materials in the SLM process.

The paper formulates requirements for a polymer material for molding products from it by fused deposition modeling. A methodology for evaluating the suitability of a polymer or composite of thereof in 3D printing technology has been developed. A graphic representation of the developed methodology in the form of a temperature-shear rate logarithm diagram is proposed. Application of the proposed methodology makes it possible to simplify the development of new materials for 3D printing by fused deposition modeling both at the stage of selecting the components of the polymer composition and at the stage of its subsequent approbation.

In this study, we investigated water transparency estimation models in the hypertrophic lagoon of the Albufera of Valencia using Sentinel-2 images. Water transparency, a crucial environmental indicator, was assessed via Secchi disk depth (ZSD) measurements. Three optical models (R490/R560, R490/R705, R560/R705) were explored to establish a robust algorithm for ZSD estimation. Through extensive field sampling and laboratory analyses, weekly data spanning 2018 to 2023 were collected, including water transparency, temperature, conductivity, and chlorophyll-a concentration. Remote sensing imagery from the Sentinel-2 mission was employed, and images were processed using SNAP software. The R560/R705 model, calibrated for turbid lakes, emerged as the most suitable. The algorithm's calibration was validated with high correlation coefficients (R2) in both calibration (0.6149) and validation (0.916) phases, demonstrating the model's accuracy in estimating ZSD. This new algorithm significantly outperformed a previous approach, highlighting the importance of tailoring algorithms to specific water body characteristics. The study contributes to improved water quality assessment and resource management, underscoring the value of remote sensing in environmental research.

We developed an artificial neural network as an air quality model and estimated the scope of the impact of climate change on future (until 2064) summertime trends of hourly Ozone (O3) concentrations at an urban air quality station in Tehran, Iran. Our developed scenarios assume that present-time emissions conditions of O3 precursors will remain constant in the future. Therefore, only the impact of climate change on future O3 concentrations is investigated in this study. GCM projections indicate more favorable climate conditions for O3 formation over the study area in the future: the surface temperature increases over all months of the year, solar radiation increases, and precipitation decreases in future summers, and summertime daily maximum temperature increases about 1.2 ∘C to 3 ∘C until 2064. In the scenario based on present-time O3 conditions in 2012 summer without any axceedances, the summertime exceedance days of 8-hr O3 standard are projected to increase in the future by about 4.2 days in the short term and about 12.3 days in the mid-term. Similarly, in the scenario based on present-time O3 conditions in 2010 summer with 58 days of exceedance from 8-hr O3 standard, exceedances are projected to increase about 4.5 days in the short term and about 14.1 days in the mid-term. Moreover, the number of Unhealthy and Very Unhealthy days in 8-hr AQI is also projected to increase based on pollution scenarios of both summers.

In the computational prediction of bridge vibrations due to high-speed train traffic, the most accurate results can be obtained by considering the interaction dynamics between the train, the superstructure, and the supporting structure. To achieve this, a detailed understanding of the coupling properties of all elements is crucial as they significantly influence the calculated vibrations. The studies in this article investigate the influence of different levels of modeling complexity on the computational acceleration results of single-span girder bridges with a ballasted superstructure. A numerical study on an extensive parameter field of single-span girder bridges is conducted to investigate the influence of modeling the bridge structures as coupling beams, i.e., by considering them as two vertically coupled beams representing the track (rails and sleepers) and the supporting structure. The connection between both beams reflects the stiffness and damping properties of the ballasted superstructure and can reproduce its load-distribution capacity. The excitation is applied as either a moving load or a multi-body model of the train, an Austrian Railjet, to evaluate interdependencies of interaction effects between the vehicle and track, and between track and bridge structure. The reference model is a simply-supported Bernoulli-Euler beam excited by moving axle loads. The comparison of acceleration results allows for identifying critical combinations of structural and train parameters for which the implementation of interaction dynamics has a particularly significant impact on the calculated vibrations and quantifying that impact. These findings provide the possibility of formulating structure-dependent recommendations concerning the targeted application of more complex modeling of the structure (coupling beam model) on the one hand and train (multi-body model) on the other.

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

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

The Congo River Basin is the second-largest watershed globally, flowing through nine countries before reaching the Atlantic Ocean. The Kasai River Basin (KARB), containing about one-fourth of Congo’s freshwater resources, plays a strategic role in sustaining navigation, food production, and hydroelectricity generation in Central Africa. A multi-model framework suited for data scarce regions is applied for climate change impacts on water availability in the KARB to propose effective development plans in the future. This includes consideration of two conceptual hydrological models calibrated using four reanalysis datasets and fed with bias-corrected outputs of 19 climate models under two future Representative Climate Pathways (RCPs). Changes in mean annual discharge in the KARB from -18% to +3% are projected depending on the considered modeling configuration. This shows the sensitivity of impact assessment to the choice of models as well as input data. Moreover, about 9%, 18%, and 13% decline in streamflow signatures (Q10, Q50 and Q90) are projected based on the ensemble of models under RCP 8.5. A decrease of 14% and 5% in annual hydropower potential of the mainstream is estimated under RCPs 4.5 and 8.5, respectively. These changes in flows conditions should be considered in decision-making around constructing reservoirs and hydroelectricity generation.

Background The purpose of this study was to clarify the relationship structure of quality of life (QOL) in survivors of breast cancer, including difficulty in daily life and negative experience as health-related indicators. Methods Participants were survivors of breast cancer for more than 2 years after primary breast cancer surgery and belonged to self-help groups. The assessment used FACT-B (QOL), HADS (anxiety and depression), SOC (sense of coherence), WHODAS 2.0 (difficulties in daily life), and CAOD (negative experiences). Bayesian structural equation modeling (BSEM) was performed to analyze the hypothesized model. If the causal model was significant, multiplication of the path coefficient from anxiety and depression to QOL, and from SOC to anxiety and depression, was considered a direct effect on QOL, and from SOC to difficulty in daily life, from difficulty in daily life to negative experiences, and from negative experiences to anxiety and depression were considered indirect effects on QOL. Results Goodness of fit of the model in the BSEM was satisfactory. The direct effect was 0.274, and indirect effect was 0.163. Conclusions These direct and indirect approaches to difficulties in daily life are very significant because they can provide a basis for development of support strategies to increase QOL.

Mathematical models of non-small cell lung cancer are powerful tools that use clinical and experimental data to describe various aspects of tumorigenesis. The developed algorithms capture phenotypic changes in the tumor and predict changes in tumor behavior, drug resistance, and clinical outcomes of anti-cancer therapy. The aim of this study was to propose a mathematical model that predicts the changes in the cellular composition of patient-derived tumor organoids over time with a perspective of translation of these results to the parental tumor, and therefore to possible clinical course and outcomes for the patient. Using the data on specific biomarkers of cancer cells (PD-L1), tumor-associated macrophages (CD206), natural killer cells (CD8), and fibroblasts (αSMA) as input, we proposed a model that accurately predicts the cellular composition of patient-derived tumor organoids at a desired time point. Combining the obtained results with “omics” approaches will improve our understanding of the nature of NSCLC. Moreover, their implementation into clinical practice will facilitate a decision-making process on treatment strategy and develop a new personalized approach in anti-cancer therapy.

The highest efficiency solar cell won in the efficiency race does not always give the most excellent annual energy yield in the real world solar condition that the spectrum is ever-changing. The study of the radiative coupling of the concentrator solar cells implied that the efficiency could increase by the recycle of the radiative recombination generated by the surplus current in upper junction. Such configuration is called by a super-multi-junction cell. We expanded the model in the concentrator solar cell to non-concentrating installation. It was shown that this super-multi-junction cell configuration was found robust and can keep the maximum potential efficiency (50 % in realistic spectrum fluctuation) up to 10 junctions. The super-multi-junction cell is also robust in the bandgap engineering of each junction. Therefore, the future multi-junction may not be needed to tune the bandgap for matching the standard solar spectrum, as well as relying upon artificial technologies like ELO (Epitaxial lift-off), wafer-bonding, mechanical-stacking, and reverse-growth, but merely uses up-right and lattice-matching growth technologies. We have two challenging techniques; one is the optical cap layer that may be the directional photon coupling layer in the application of the photonics technologies, and another is the high-quality epitaxial growth with almost 100 % of the radiative efficiency.

Object. Flooding in Ukraine is a common natural phenomenon that repeats periodically and in some cases it becomes disastrous. In an average year floods on the rivers of Volyn region take place from one to three times which extend beyond the limits of the floodplain. The floodplain of Styr river is located in the historical center of Lutsk city, that`s why issues of research and forecasting of floods are very important for a given city. Methodology. Using modern technologies of geodesy and remote sensing allows to quickly determine and predict the floodplain area of settlements. Based on the statistical data of the Volyn Regional Center for Hydrometeorology during the 7 year period 2011-2017 about water levels of the river Styr. We conducted mathematical modeling of fluctuations of water levels within the territory of Lutsk, based on creating a partial Fourier series for discrete values of middle-ten-day water levels values. The post hydrological measurements of Styr river water levels in the territory of Lutsk located on the Shevchenko Street comply with an altitude 172.87 meters. Based on the data of short-term flood forecasting in February and March, and relief data from the Department of Architecture and Urban Development of Volyn State Administration, we conducted visualization of the results using geographic information system QGIS. Results. The results of mathematical processing were the basis for geoinformation simulation of flooded areas using remote sensing data that are publicly available. Use of statistical and geospatial data in this article has great potential for further application in modeling the processes of natural and technogenic origin. Scientific novelty. The mathematical model of short-term forecasting of water levels during the flood period on the river Styr with implementation of geoinformation modeling of flooded areas using remote sensing data is proposed. Practical significance. The research results of water level changes on the Styr River and flood zones within the limits of Lutsk is proposed. The spring flood in February-March 2018, with the maximum water level 5.33 m, corresponds to an absolute mark of 178.20 m, which is forecasted in this article.

Floods in Ukraine is a common natural phenomenon that repeats periodically and in some cases it becomes disastrous signs. In an average year in the rivers of Volyn passes from one to three floods with going beyond the limits of the floodplain. Floodplain of Styr river is located in the historical center of Lutsk city, that`s why issues of research and forecasting of floods are very important for a given city. Using modern technologies of geodesy and remote sensing allows to quickly determine and predict the floodplain area of settlements. The research results of water level changes on the Styr River and flood zones within the limits of Lutsk is proposed. The mathematical model of short-term forecasting of water level in flood period on the river Styr with implementation of geoinformation modeling of flooded areas using remote sensing data is proposed.

Subsurface temperature is the key parameter in geothermal exploration. An accurate estimation of the reservoir temperature is of high importance and usually done either by interpolation of borehole temperature measurement data or numerical modeling. However, temperature measurements at depths which are of interest for deep geothermal applications (usually deeper than 2 km) are generally sparse. A pure interpolation of such sparse data always involves large uncertainties and usually neglects knowledge of the 3D reservoir geometry or the rock and reservoir properties governing the heat transport. Classical numerical modeling approaches at regional scale usually only include conductive heat transport and do not reflect thermal anomalies along faults created by convective transport. These thermal anomalies however are usually the target of geothermal exploitation. Kriging with trend does allow including secondary data to improve the interpolation of the primary one. Using this approach temperature measurements of depths larger than 1,000 m of the federal state of Hessen/Germany have been interpolated in 3D. A 3D numerical conductive temperature model was used as secondary information. This way the interpolation result reflects thermal anomalies detected by direct temperature measurements as well as the geological structure. This results in a considerable quality increase of the subsurface temperature estimation.

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

Aims:To update analytic formulas for the overall efficacy of corneal collagen crosslinking (CXL) including both type-I and oxygen-mediated type-II mechanisms, the role of oxygen and the initiator regeneration. Study Design:modeling the kinetics of CXL in UV light and using riboflavin as the photosensitizer.Place and Duration of Study:New Taipei City, Taiwan, between June, 2021 and July, 2021.Methodology:Coupled kinetic equations are derived under the quasi-steady state condition for the 2-pathway mechanisms of CXL. For type-I CXL, the riboflavin (RF) triplet state [T] may interact directly with the stroma collagen substrate [A] to form radical (R) and regenerate initiator. For type-II process, [T] interacts with oxygen to form a singlet oxygen [¹O₂]. Both reactive radical (R) and [¹O₂], can relax to their ground state, or interact with the substrate [A]) for crosslinking. Based on a safety dose, the minimum corneal thickness formula is derived. Results:Our updated theory/modeling showed that oxygen plays a limited and transient role in the process, in consistent with that of Kamave [2]. In contrary, Kling et al [3] believed that type-II is the predominant mechanism, which however conflicting with the epi-on CXL results. For both type-I and type-II, a transient state conversion (crosslink) efficacy in an increasing function of light intensity (or dose), whereas, its steady state efficacy is a deceasing function of light intensity. RF depletion in type-I is compensated by the RF regeneration term (RGE) which is a decreasing function of oxygen. For the case of perfect regeneration case (or when oxygen=0), RF is a constant due to the catalytic cycle. Unlike the conventional Dresden rule of 400 um thickness, thin cornea CXL is still safe as far as the dose is under a threshold dose (E*), based on our minimum thickness formula (Z*). Our formula for thin cornea is also clinically shown by Hafez et al forultra thin (214 nm) CXL. Conclusion: For both type-I and type-II, a transient state conversion (crosslink) efficacy in an increasing function of light intensity (or dose), whereas, its steady state efficacy is a deceasing function of light intensity. Ultra thin cornea is still safe as far as it is under a threshold dose (E*), based on our minimum thickness formula.

This work assesses sea-level rise using three different models created on Free and Open-Source Software for Geographic Information System (FOSS4GIS). Based on regional projections of Special Report on Climate Change and Oceans and Cryosphere (SROCC) of the Intergovernmental Panel on Climate Change (IPCC), the models were applied to a case of study on Rio Grande do Sul coast – Brazil under different sea-level rise scenarios by the end of this century. The End Point Rate for QGIS (EPR4Q), calculates a shoreline projection using End Point Rate method. The Uncertainty Bathtub Model (uBTM), analyses the sea-level rise impact by the uncertainty of sea-level projec-tions and vertical error of the Digital Elevation/Terrain Model (DEM/DTM). The Bruun Rule for Google Earth Engine Model (BRGM) predicts the shoreline position with sea-level rise, using topographic and bathymetric data from Unmanned Aerial Vehicles (UAV) and Coastal Modelling System (SMC – Brazil), respectively. The results indicated a maximum shoreline retreat for 2100 of -502 m and -1727 m using EPR4Q and BRGM, correspondingly. The uBTM using the land-use of Mapbiomas showed a maximum of 44.57 km2 of urban area impacted by the sea-level flood. This research highlights the possibility of performing coastal management analysis in GIS environ-ment using non-commercial software.

With the continuous improvement of people's quality of life and aesthetics, furniture products have higher requirements. Excellent solid wood chairs are the most representative products in furniture to enhance space and taste and whose design may significantly impact consumers' emo-tional experience and purchase decisions. This study aims to evaluate how the modeling imagery of solid wood chairs affects user preferences and emotional experiences. The development of the current era is inseparable from the analysis of big data. Firstly, a representative sample was ob-tained by multidimensional scaling (MDS), and the sample was analyzed and evaluated by fac-tor analysis. Moreover, five groups of adjective vocabulary were selected to describe the model-ing imagery of solid wood chairs, such as "balanced and coordinated", "unique and novel", "prac-tical and simple", "quality and detailed" and "traditional and plain". Further, the triangular fuzzy theory was applied to analyze and discuss the 12 types of solid wood chairs in the five groups of adjective vocabulary. Then the study verified that the differences in the evaluations of the 12 sam-ples in the "unique and novel" and "quality and detailed" groups were significant, but more minor differences in the groups of "traditional and plain", "balanced and coordinated" and "practical and simple". Through comprehensive comparison, five groups with similar modeling imagery were created, and solid wood chairs with different modeling imagery should be placed in suita-ble spaces. According to the results of this study, the evaluation of the modeling imagery of solid wood chairs can not only rely on subjective judgments but can be reasonably described through data analysis and mathematical algorithms. It can scientifically and effectively reflect the poten-tial perception needs of consumers on the modeling imagery of solid wood chairs, as well as help to improve the design efficiency of the furniture product development stage.

The objective of this research is to conduct a comparative analysis between rectangular-shaped ASTM D3039 specimens with different angles (0°, 15°, and 90°) and various tensile test specimens based on ASTM and ISO standards, all 3D-printed using polyethylene terephthalate glycol (PETG) material through FDM. The study aimed to assesses the weak spot commonly found at the neck of the specimens. Two different printing orientations, namely flat and on-edge, were investigated, and a comprehensive examination and comparison were made regarding the variations in tensile strength, E-modulus, strain, and elongation at break among the tested samples. Additionally, the broken areas was evaluated, and a numerical study utilizing the finite element method (FEM) was conducted to identify stress risers' locations in each specimen type. The experimental results demonstrated that the ASTM D3039-0° specimen exhibited the best tensile properties when printed in the on-edge orientation, while the flat orientation yielded the best results in terms of the broken area. On the other hand, the ISO 527-2 specimens displayed the lowest tensile properties, regardless of the printing orientation. The study highlighted the enhanced tensile properties achieved with the rectangular shape. Specifically, the tensile strength of ASTM D3039-0° was 17.87% and 21% higher than that of the ISO 527 geometry shape for the flat and on-edge orientations, respectively. The numerical analysis indicated that the ISO 527-2 specimen had either no or minimal stress raisers, and the higher stresses observed in the narrow section were isolated from the gripping location.

The building sector of most tropical countries still use predominantly primary biomass as the principal fuel. This has adverse effects like CO2 emission and deforestation and is associated with issues like poverty, ill-health, and low standard of living. Therefore, energy policies try to improve on the efficiency of firewood and charcoal end-use technologies, to palliate the negative effects. In this research, the global change assessment model (GCAM) is used, to investigate the impact of efficiency improvement on the energy consumption pattern of the building sector of developing countries. The aim of the study is to provide empirical data that would better inform policymakers on the effects of modernizing these primary fuels. The study developed three scenarios with different levels of efficiency improvements. The results show that efficiency improvement rather increases primary biomass consumption and CO2 emission. However, there is a fall in the consumption of traditional biomass in the second half of the modelling period. The increase in biomass-based fuels consumption was seen to be linked to their affordability. Therefore, policymakers need not only elaborate policies that improve biomass efficiency, but also introduce and motivate other clean cooking fuels like butane, biogas, and electricity.

Three-dimensional structure of six closely related hydrogenases from purple bacteria has been modeled by combining template-based and ab initio modeling approach. The results lead to conclusion that there should be 4Fe3S-cluster in the structure of these enzymes. Thus, these hydrogenases could drive attention for exploring their oxygen tolerance and practical applicability in hydrogen fuel cells. Analysis of 4Fe3S-cluster's microenvironment showed intragroup heterogeneity. Possible function of the C-terminal part of the small subunit in membrane binding has been discussed. Comparison of the built models with existing hydrogenases of the same subgroup (membrane-bound oxygen-tolerant hydrogenases) has been carried out. Analysis of intramolecular interactions in the large subunits showed statistically reliable differences in number of hydrophobic interactions and number of ionic interactions. Molecular tunnels were mapped in the models and compared with structures from PDB. Protein-protein docking showed that these enzymes could exchange electrons in oligomeric state, which is important for oxygen-tolerant hydrogenases. Molecular docking with model electrode compounds showed mostly the same results as with hydrogenases from E.coli, H. marinus, R. eutropha, S. enterica; some interesting results were shown in case of HupSL from Rba. sphaeroides and Rvx. gelatinosus.

Discovery of inhibitors for endothelial-related transcription factors can contribute to the development of angiogenic therapies that treat diseases ranging from cardiovascular to cancer. The role of transcription factor Vezf1 in vascular development and regulation of angiogenesis has been defined by several earlier studies. Through construction of a computational model for Vezf1, work here has identified a novel small molecule drug capable of inhibiting Vezf1 from binding to its cognate DNA binding site. Using structure-based design and virtual screening of the NCI Diversity Compound Library, 12 shortlisted compounds were tested for their ability to interfere with the binding of Vezf1 to DNA using electrophoretic gel mobility shift assays. We identified one compound, T4, which has an IC50 of 20uM. Using murine endothelial cells, MSS31, we tested the effect of T4 on endothelial cell viability and angiogenesis by using tube formation assay. Our data show that addition of T4 in cell culture medium does not affect cell viability at concentrations lower or equal to its IC 50 but strongly inhibits the network formation by MSS31 in the tube formation assays. Given its potential efficacy, this inhibitor has significant therapeutic potential in several human diseases raging from wound healing to cancer.

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

This paper presents an advanced and highly sophisticated model for hybrid electric special-purpose machines (HE-SPMs), specifically engineered to significantly enhance sustainability and efficiency in logistics operations. The primary objective of this model is centered around the optimization of energy flow, a feature that has undergone extensive testing and validation to ensure its reliability and effectiveness. The inclusion of auxiliary systems such as cutting-edge cooling and control systems further elevates the overall performance capabilities of the HE-SPMs, resulting in a seamless integration within various industries. By implementing these enhanced systems, substantial reductions in energy consumption and operational costs have been observed and well-documented through compelling case studies in both the construction and transportation sectors. The holistic nature of this approach impeccably aligns with the ongoing global efforts aimed at combating the pressing issue of climate change. By focusing on the development and utilization of eco-friendly technologies, this model actively contributes to the mitigation of harmful environmental impacts and promotes sustainable practices within the logistics industry. To further reinforce the efficacy of this remarkable model, future research endeavors will concentrate on expanding its applications to encompass other logistics domains.

The pharmaceutical industry is undergoing a shift in processing methods for small-scale production (250-1000 kg/a), leading to an increased focus on continuous production research. Various concepts were developed to overcome challenges in small-scale crystallization for the production of high-quality products. However, further optimization is needed to enhance the industrial applicability of these concepts. This study aims to demonstrate the practical applicability of the Slug Flow Crystallizer (SFC) in the pharmaceutical industry by extending its use to a wider range of substance systems for small-scale API production. Employing an experimental strategy, the research seeks to rapidly assess the SFC's potential for achieving uniform, high-purity product yields, emphasizing the importance of factors such as slug flow stability, residence time distribution, and substance-specific crystallization criteria. This, coupled with our previously published model-based strategy, forms a comprehensive methodology to explore crystallization behavior and modeling for a variety of substance systems within the SFC. The ultimate goal of this study is to showcase the practicality of the SFC in the pharmaceutical industry, enabling the way for its reliable use in long-term, small-scale continuous crystallization and the production of high-quality pharmaceutical products.

Visual data on the geographic distribution of carbon storage helps policy maker to formulate countermeasures on global warming. However, Taiwan, as an island showing diversity in climate and topography, had lacked valid visual data in distribution of forest carbon storage between the last to forest surveys (1993-2015). This study established a model to achieve an estimation that capable to demonstrate the distribution of forest carbon storage. This model uses land use, stand morphology, carbon conversion coefficient databases accordingly for 51 types of major forest in Taiwan. An estimation on 2006 was conducted and shows an overall carbon storage of 165.65 Mt C, with forest carbon storage per unit area of 71.56 t C ha–1, where natural forests and plantations respectively contributed of 114.15 Mt C (68.9%) and 51.50 Mt C (31.1%). By assuming no change in land use type, the carbon sequestration from 2006 to 2007 by the 51 forest types was estimated to be 5.21 Mt C yr–1 using historical tree growth and mortality rates. The result reflects the reality of the land use status and event of coverage shifting with time by combining to the two forest surveys in Taiwan.

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

Controlling an object that is extremely prone to oscillations is a complex and highly relevant task. The tendency to oscillate arises due to the presence of an oscillatory element and a delay element, and control is often complicated by the presence of an integrator in the object. For such objects, a very effective method of numerical optimization of the controller is not effective enough without choosing the most efficient structure, more efficient than the PID controller and even than the PIDD controller. The method of using the Smith predictor, which is switched on parallel to the plant, allows solving a similar problem, but the resulting quality of control remains not good enough, since a large overshoot remains in the system. The article recommends, after using the Smith predictor, to additionally use an external control loop, the sequential controller of which should also be designed using the numerical optimization method. But the Smith predictor is not the best solution either. The article recommends the use of pseudo-local feedback. Such a connection provides more opportunities, since its structure and parameters can be optimized, while the Smith predictor in its parameters is completely determined by the object model and its modification is not allowed. The article shows that even the best sequential controller in the case of using the Smith predictor on a test example still cannot provide the required quality of control; in such a system, significant overshoot remains, more than 10%. The proposed method allows reducing overshoot to less than 0.5%. It is shown that the resulting system is robust, since the quality of control remains within specified limits even when the gain changes by 30% in both directions.

For the emerging autonomous swarm technology, from the perspective of systems science and systems engineering, there must be some novel elements and methods to aggregate multiple systems into a group, which distinguish with the general components with specific functions, and we expect to provide the presentation of their existence in the swarm development processes. The inspiration of our methodology origins from the integration of swarm ontology, multi-paradigm modeling, multi-agent system, cyber-physical system, etc. Therefore, we choose the model-driven technology as a framework to acquire an approach of model representation across the multiple levels of abstraction and composition. The autonomous strategic mechanism is defined and formed in parallel with ConOps analysis and systems design, so as to effectively solve the cognitive problem of emergence caused by the nonlinear causation among individual and whole behaviors. This approach highlights to use the MBSE processes and their artifacts to embed the meso mechanism to integrate the operational and the functional, and which means to connect the macro and micro aspects in formalism and so to become a whole with its expected goals, and then to verify and validate within a L-V-C simulation environment.

This paper presents a new numerical method for multiscale modeling of composite materials. The new numerical model, called DECM, consists in a DEM (Discrete Element Method) approach of the Cell Method (CM) and combines the main features of both the DEM and the CM. In particular, it offers the same degree of detail as the CM, on the microscale, and manages the discrete elements individually such as the DEM—allowing finite displacements and rotations—on the macroscale. Moreover, the DECM is able to activate crack propagation until complete detachment and automatically recognizes new contacts. Unlike other DEM approaches for modeling failure mechanisms in continuous media, the DECM does not require prior knowledge of the failure position. Furthermore, the DECM solves the problems in the space domain directly. Therefore, it does not require any dynamic relaxation techniques to obtain the static solution. For the sake of example, the paper shows the results offered by the DECM for axial and shear loading of a composite two-dimensional domain with periodic round inclusions. The paper also offers some insights into how the inclusions modify the stress field in composite continua.

Incorporating linear-scanning MEMS micromirrors into Fourier transform spectral acquisition systems can greatly reduce the size of the spectrometer equipment, making portable Fourier transform spectrometers (FTS) possible. How to minimize the tilting of the MEMS mirror plate during its large linear scan is a major problem in this application. In this work, an FTS system has been constructed based on a biaxial MEMS micromirror with a large piston displacement of 180 μm, and a biaxial H∞ robust controller is designed. Compared with open-loop control and PID closed-loop control, H∞ robust control has good stability and robustness. The experimental results show that the stable scanning displacement reaches 110.9 μm under the H∞ robust control, and the tilting angle of the MEMS mirror plate in that full scanning range falls within ±0.0014°. Without control, the FTS system cannot generate meaningful spectra. In contrast, the FTS yields a clean spectrum with an FWHM spectral linewidth of 96 cm-1 under the H∞ robust control. Moreover, the FTS system can maintain good stability and robustness under various driving conditions.

Manufacturing of facial epithesis is a complex technological process including several traditional stages of production, accompanied by aggravated psycho-emotional status of the patient. One of the main factors causing discomfort in patients with facial defects is the process of obtaining silicone impressions from the wound surface and the long waiting period for the final epithesis. Active development of digital technologies in medicine and dentistry helps specialists not only to automate most of the traditional stages of manufacturing of dento-mandibular and facial prostheses, but also improves the quality of life of patients by increasing the efficiency of services and reducing the production time of prosthetic structures. The application of digital technologies in the production of facial epithesis was difficult due to the lack of specialized 3D-software for modeling and material for further additive manufacturing of structures. The authors developed a unique technology for 3D modeling and additive manufacturing of facial epithesis, including a 3D CAD module and material for 3D printing. The primary objective was to fabricate immediate facial prostheses in the postoperative period in the shortest possible time until the final epithesis was fabricated.

With the advent of digitization, the integration of advanced technologies in operations and projects across all sectors is in progress. Accordingly, efforts are being made to utilize cutting-edge technologies to improve the circularity of the built environment. This study aimed to review the existing applications and limitations of building information modeling (BIM) tools for circular economy (CE) implementation from this perspective. A literature review was conducted to provide an overview of the use of BIM tools for conducting life cycle assessments, energy analysis, waste management, and formulation of material passports for buildings. It was found that BIM tools, which are available across all life cycle phases of building, have a great potential to improve the circularity of the sector. The overview provided on the use of various BIM tools may help stakeholders of the built environment understand the role of BIM for CE adoption in the sector.

Although buildings constitute 35% of global energy use and 38% of carbon emissions from energy, the amount of energy and energy-related carbon emissions are increasing rapidly. On the other hand, non-renewable usable energy resources are decreasing on the contrary. New buildings are being built due to the increasing population and the existing building stock not meeting the needs or losing its lifespan. Some of the existing building stock is demolished and renewed for structural reasons and some for reasons such as usage performance. It is possible to reduce both energy consumption and greenhouse gas emissions with strategic energy uses in existing building stocks. There are various techniques to measure the maximum performance of sustainable and energy-efficient use of existing building stocks with which changes. Building Information Modeling (BIM) technology is one of these techniques that provides wide opportunities to users in recent years, and it is almost a virtual laboratory of structures. Building stocks can be modeled with BIM, and alternative shell and system suggestions can be used to measure how building performance has changed and to achieve the best results. In this research study, improvement scenarios that optimize energy use in existing building stocks are investigated on a sample residential building by using the virtual laboratory facilities of BIM. After measuring the current energy performance of the existing building with BIM tools, 192 alternative results were obtained with 6 variables (external walls, roof, insulation layers, transparent surface materials, lighting, and photovoltaic panels). The obtained alternatives were compared with the current state of the existing building. The material expenditures and amortization periods required for these alternative scenarios are also calculated. The results obtained were evaluated according to annual / lifetime energy consumption, fuel, electricity, initial investment costs, energy use intensity, and carbon emission amounts. With the optimization of the current situation of the sample building, annual fuel consumption decreased by 61% and electricity consumption by 64%. The amortization period of the optimum improvement was determined as 12 years.

Human induced pluripotent stem cells (hiPSCs) have two characteristic abilities 1) self-renewal and 2) differentiation into all cell types in the human body. It is this ability of iPSCs to differentiate into any desired cell type that makes them amenable to disease modeling. iPSCs can further be engineered to carry a disease-specific mutation or be derived from patients to phenocopy the disease. To model neurodegenerative/neurodevelopmental disorders iPSCs are differentiated into neurons. This chapter describes protocols for two different approaches to generate neurons from iPSCs, first using dual SMAD inhibition to generate neural progenitor cells which are then differentiated into neurons, and second using single transcription factor (NGN2) over-expression to drive differentiation of iPSCs directly into neurons.

River renaturation can be an effective management method for restoring the floodplain's natural capacity and minimizing the effects during high flow periods. A 1D-2D HEC-RAS model, in which the flood plain was considered as 2D and the main channel as 1D, was used to simulate flooding in the restored reach of the Spree River. When computing in this model, finite volume and finite difference approximations using the Preissmann approach are used for the 1D and 2D models, respectively. To comprehend the sensitivity of the parameters and model, several scenarios were simulated using different time steps and grid sizes. Additionally, dykes, dredging, and changes to the vegetation pattern have been used to simulate flood mitigation measures. The model predicted that flooding would occur mostly in the downstream portion of the channel in the majority of the scenarios without mitigation measures, whereas with mitigation measures, flooding in the floodplain would be greatly reduced. By preserving the natural balance on the channel's floodplain, the restored area needs to be kept in good condition. Therefore, mitigating measures that balance the area's economic and environmental aspects must be considered in light of the potential for floods.

When designing rule-based dialogue systems, the need for elaborate design by the designer is a challenge for dialogue systems. One way to reduce the cost of creating content is to generate utterances from data collected in an objective and reproducible manner. This study focuses on rule-based dialogue systems using survey data, and more specifically on opinion dialogue where the system models the user. In opinion dialogue, there has not been much study of topic transition methods for modeling users while maintaining their motivation for dialogue. To model them, we adopted information content. Our contribution includes the design of a rule-based dialogue system that does not require elaborate design. We also reported an appropriate topic transition method based on information content. This is confirmed by the influence of the user's personality characteristics. The content of questions can give the user a sense of the system's intention to understand them. We also reported the possibility that the system's rational intention contributes to the user's motivation for dialogue with the system.

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

Virtual screening - predicting which compounds within a specified compound library bind to a target molecule, typically a protein - is a fundamental task in the field of drug discovery. Doing virtual screening well provides tangible practical benefits, including reduced drug development costs, faster time to therapeutic viability, and fewer unforeseen side effects. As with most applied computational tasks, the algorithms currently used to perform virtual screening feature inherent tradeoffs between speed and accuracy. Furthermore, even theoretically rigorous, computationally intensive methods may fail to account for important effects relevant to whether a given compound will ultimately be usable as a drug. Here we investigate the virtual screening performance of the recently released Gnina molecular docking software, which uses deep convolutional networks to score protein-ligand structures. We find, on average, that Gnina outperforms conventional empirical scoring. The default scoring in Gnina outperforms the empirical AutoDock Vina scoring function on 89 of the 117 targets of the DUD-E and LIT-PCBA virtual screening benchmarks with a median 1% early enrichment factor that is more than twice that of Vina. However, we also find that issues of bias linger in these sets, even when not used directly to train models, and this bias obfuscates to what extent machine learning models are achieving their performance through a sophisticated interpretation of molecular interactions versus fitting to non-informative simplistic property distributions.

The commonly-used large-scale knowledge bases have been facing challenges in open domain question answering tasks which are caused by the loose knowledge association and weak structural logic of triplet-based knowledge. To find a way out of this dilemma, this work proposes a novel metaknowledge enhanced approach for open domain question answering. We design an automatic approach to extract metaknowledge and build metaknowledge network from Wiki documents. For the purpose of representing the directional weighted graph with hierarchical and semantic features, we present an original graph encoder GE4MK to model the metaknowledge network. Then a metaknowledge enhanced graph reasoning model MEGr-Net is proposed for question answering, which aggregates both relational and neighboring interactions comparing with R-GCN and GAT. Experiments have proved the improvement of metaknowledge over main-stream triplet-based knowledge. We have found that the graph reasoning models and pre-trained language models also have influences on the metaknowledge enhanced question answering approaches.

Factorization reduces computational complexity and is therefore an important tool in statistical machine learning of high dimensional systems. Conventional molecular modeling, including molecular dynamics and Monte Carlo simulations of molecular systems, is a large research field based on approximate factorization of molecular interactions. Recently, the local distribution theory was proposed to factorize global joint distribution of a given molecular system into trainable local distributions. Belief propagation algorithms are a family of exact factorization algorithms for trees and are extended to approximate loopy belief propagation algorithms for graphs with loops. Despite the fact that factorization of probability distribution is their common foundation, computational research in molecular systems and machine learning studies utilizing belief propagation algorithms have been carried out independently with respective track of algorithm development. The connection and differences among these factorization algorithms are briefly presented in this perspective, with the hope to intrigue further development in factorization algorithms for physical modeling of complex molecular systems.

The Steepest Descent (or Ascent) algorithm is one of the most widely used algorithms in Science, Technology, Engineering, and Mathematics (STEM). However, this powerful mathematical tool is neither taught nor even mentioned in K12 education. We study whether it is feasible for elementary school students to learn this algorithm, while also aligning with the standard school curriculum. We also look at whether it can be used to create enriching activities connected to children’s real-life experiences, thus enhancing the integration of STEM and fostering Computational Thinking. To address these questions, we conducted an empirical study in two phases. In the first phase, we tested the feasibility with teachers. In a face-to-face professional development work-shop with 457 mathematics teachers actively participating using an online platform, we found that after a 10-minute introduction they could successfully apply the algorithm and use it in a couple of models. They were also able to complete two complex and novel tasks: selecting models and adjusting the parameters of a model that uses the steepest descent algorithm. In a second phase, we tested the feasibility with 90 fourth graders from 3 low Socioeconomic Status (SES) schools. Using the same introduction and posing the same questions, we found that they were able to understand the algorithm and successfully complete the tasks on the online platform. Additionally, we found that close to 75% of the students completed the two complex modeling tasks and performed similarly to the teachers.

The Steepest Descent (or Ascent) algorithm is one of the most widely used algorithms in Science, Technology, Engineering, and Mathematics (STEM). However, this powerful mathematical tool is neither taught nor even mentioned in K12 education. We study whether it is feasible for elementary school students to learn this algorithm, while also aligning with the standard school curriculum. We also look at whether it can be used to create enriching activities connected to children’s real-life experiences, thus enhancing the integration of STEM and fostering Computational Thinking. To address these questions, we conducted an empirical study in two phases. In the first phase, we tested the feasibility with teachers. In a face-to-face professional development work-shop with 457 mathematics teachers actively participating using an online platform, we found that after a 10-minute introduction they could successfully apply the algorithm and use it in a couple of models. They were also able to complete two complex and novel tasks: selecting models and adjusting the parameters of a model that uses the steepest descent algorithm. In a second phase, we tested the feasibility with 90 fourth graders from 3 low Socioeconomic Status (SES) schools. Using the same introduction and posing the same questions, we found that they were able to understand the algorithm and successfully complete the tasks on the online platform. Additionally, we found that close to 75% of the students completed the two complex modeling tasks and performed similarly to the teachers.

Student-centered teaching practices such as active learning continue to gain momentum in college science education. Many instructors committed to these innovative practices transform their classroom beyond the standard lecture. Nevertheless, widespread implementation of these practices is limited because the learning benefits for students are often attained through increased instructional complexity to which many instructors cannot commit. When co-instructors are teaching the course, the level of commitment to building a student-centered classroom may be even more profound. For these reasons, new tools are needed to help instructors and co-instructors plan, organize, evaluate, and communicate their classroom innovations. Pathway modeling is a tool with potential to fill this gap. Unlike curriculum mapping -- which identifies academic content gaps, redundancies, and misalignments by examining a series of courses within a plan of study – course pathway modeling creates a visual map of a single course and reveals how teaching practices influence short-, mid-, and long-term student learning outcomes. This essay demonstrates how course pathway modeling can help co-instructors better represent the complexity of student-centered teaching practices. We include guides for creating course pathway models and discuss how this approach offers the potential to improve curricular design, course evaluation, student assessment, and communication between co-instructors.