The temporo-spatial theory of consciousness postulates that the brain implements its own inner time and space for conscious processing of outside world. In line with this hypothesis, I present a mechanistic model of mutually connected processes that encode the inner space and time. The model is used to elaborate the binding mechanism between two sets of processes representing the inner space and time, respectively. Further, a stochastic version of the model is developed to investigate the interplay between the binding strength and noise. The spectral entropy is used to characterize the noise effects on the systems of processes when the binding strength is varied. The stochastic modeling results reveal that the spectral entropy values for strongly bound systems have similar entropy values for weakly bound or even decoupled systems. Thus, the analysis performed in this study allows to conclude that the binding mechanism is noise-resilient.

This paper presents a methodology for the integration of Building Information Modeling (BIM) and Life Cycle Cost Analysis (LCCA) to assess the economic implications of designing aging-in-place (AIP) homes at the conceptual stage. With the global increase in the aging population, there is an increased demand for housing solutions tailored to the needs of elderly individuals. Focusing on the importance of the early phase of design, this study aims to improve the process of making efficient decisions by providing a comprehensive assessment of the life cycle costs associated with AIP homes. The study introduces a semi-automated model for the economic evaluation of AIP homes, enabling the estimation of costs throughout the houses’ entire life cycle, from design and construction to operation, maintenance, and eventual renovation or disposal. The said model facilitates the exploration of the long-term economic feasibility of design’s related decisions with an emphasis on the importance of considering the life cycle costs early during the design process to optimize the functionality and economic viability. By investing in accessible and universal design features upfront, the initial costs for modifications can lead to long-term savings by reducing the need for extensive retrofits. The model can easily do comparison between different design alternatives in terms of their lifecycle costs, allowing designers to assess the financial impact of using important features in their design such as wider doorways, accessible bathrooms, and elevators. Overall, this study provides valuable insights for designers and homeowners about the economic aspects of designing AIP homes as a support for efficient decision-making during the early stages of the design process.

Land surface albedo determines the splitting of downwelling solar radiation into components which are either reflected back to the atmosphere or absorbed by the surface. Land surface albedo is an important variable for the climate community and therefore was defined by the Global Climate Observing System (GCOS) as an Essential Climate Variable (ECV). Within the scope of the Satellite Application Facility for Land Surface Analysis (LSA SAF) of EUMETSAT, a near-real time (NRT) daily albedo product was developed in the last decade from observations provided by the SEVIRI instrument on board the geostationary satellites of the Meteosat Second Generation (MSG) series. In this study we present a new collection of albedo satellite products based on the same satellite data. The MSG Ten-day ALbedo (MTAL) product incorporates MSG observations over 31 days with a frequency of NRT production of 10 days. The MTAL collection is more dedicated to climate analysis studies compared to the daily albedo that was initially designed for the weather prediction community. For this reason, a homogeneous reprocessing of MTAL was done in 2018 to generate a Climate Data Record (CDR). The resulting product is called MTAL-R and has been made available to the community in addition to the NRT version of the MTAL product which has been available for several years. The retrieval algorithm behind the MTAL products comprises three distinct modules: one for atmospheric correction, one for daily inversion of a semi-empirical model of the bidirectional reflectance distribution function, and one for monthly composition that also determines surface albedo values. In this study the MTAL-R CDR is compared to ground surface measurements and concomitant albedo products collected by sensors on-board polar-orbiting satellites (SPOT-VGT and MODIS). We show that MTAL-R meets the quality requirements if MODIS or SPOT-VGT are considered as reference. This work leads to 14 years of production of geostationary land surface albedo products with a guaranteed continuity in the LSA SAF for the future years with the forthcoming third generation of European geostationary satellites.

This paper presents a novel approach to predicting shot accuracy in badminton by analyzing Quiet Eye (QE) metrics such as QE duration, fixation points, and gaze dynamics. We develop a neural network model that combines visual data from eye-tracking devices with biomechanical data such as body posture and shuttlecock trajectory. Our model is designed to predict shot accuracy, providing insights into the role of QE in performance. The study involved 30 badminton players of varying skill levels from the Singapore Swimming Club. Using a combination of eye-tracking technology and motion capture systems, we collected data on QE metrics and biomechanical factors during a series of badminton shots. Key results include: 1. The neural network model achieved 85% accuracy in predicting shot outcomes, demonstrating the potential of integrating QE metrics with biomechanical data. 2. QE duration and onset were identified as the most significant predictors of shot accuracy, followed by racket speed and wrist angle at impact. 3. Elite players exhibited significantly longer QE durations (M = 289.5 ms) compared to intermediate (M = 213.7 ms) and novice players (M = 168.3 ms). 4. A strong positive correlation (r = 0.72) was found between QE duration and shot accuracy across all skill levels. These findings have important implications for badminton training and performance evaluation. The study suggests that QE-based training programs could significantly enhance players' shot accuracy. Furthermore, the predictive model developed in this study offers a framework for real-time performance analysis and personalized training regimens in badminton. By bridging cognitive neuroscience and sports performance through advanced data analytics, this research paves the way for more sophisticated, individualized training approaches in badminton and potentially other fast-paced sports. Future research directions include exploring the temporal dynamics of QE during matches and developing real-time feedback systems based on QE metrics.

We introduce a novel stochastically correlated two-factor (i.e., bivariate) diffusion process under the square-root format, for which we obtained, analytically, the corresponding solutions for the conditional moment generating functions and conditional characteristic functions. Such solutions recover verbatim those of the uncorrelated case. We believe that the The aforementioned model encompasses a range of processes similar to that produced by a bivariate square-root process in which entries are correlated in the standard way, i.e., via a constant correlation coefficient. Note that, for the latter, closed-form solutions for the conditional characteristic functions are not available. We focus on the financial scenario of obtaining closed-form expressions for the exact price of a zero-coupon bond and Asian option prices via a Fourier cosine series method.

An existing simplified simulation model of global climate, population, economy, and governance is extended, through statistical and other data analysis, to include several measures of human well-being and population displacement. The revised model is used to explore (in testing to the year 2060) vicious cycles and causal cascades that, some have warned, could lead to acceleration of climate change in the coming decades. Model scenario testing addresses two uncertainties, namely the strength of the effect of climate change on governance erosion, and the strength of the “heat trap” effect from physical tipping points such as ice loss and permafrost thaw. This testing indicates that a strong heat trap effect could very well accelerate climate change, but that even a strong governance erosion effect is unlikely to do so. Governance erosion would hurt human well-being but is probably not much of a climate threat per se. These results are tentative but point to the possibility of formally modeling causal cascades beyond what the larger climate models have done to date.

Memristors are state-of-the-art, nano-sized, two-terminal, passive electronic elements with very good switching and memory characteristics. Owing to their very low power usage and a good compatibility to the existing CMOS ultra-high-density integrated circuits and chips, they are po-tentially applicable in artificial and spiking neural networks, memory arrays, and many other de-vices and circuits for artificial intelligence. In this paper, a complete electronic realization of ana-log circuit model of modified neural net with memristor-based synapses and transfer function with memristors and MOS transistors in LTSPICE is offered. Each synaptic weight is realized by only one memristor, providing enormously reduced circuit complexity. The summing and scaling implementation is founded on op-amps and memristors. The logarithmic-sigmoidal activation function is based on a simple scheme with MOS transistors and memristors. The functioning of the suggested memristor-based neural network for pulse input signals is evaluated both analytically in MATLAB-SIMULINK and in LTSPICE environment. The obtained results are compared one to another and are successfully verified. The realized memristor-based neural network is an im-portant step towards the forthcoming design of complex memristor-based neural networks for ar-tificial intelligence, for implementation in very high-density integrated circuits and chips.

The most modern technique utilized to create intricate and complexly manufactured parts for a variety of applications is called additive manufacturing (AM). Fused deposition modeling (FDM) has received the greatest attention in the development and manufacturing sectors. The main objective of this study was to investigate how printing factors affected the mechanical characteristics of printed samples. Samples were produced using an FDM 3D printer in compliance with ASTM D638 using a variety of input settings, including orientation, layer thickness, speed, and infill pattern. On the printed samples, tensile tests and morphological analysis using a scanning electron microscope (SEM) were done. The findings of this study demonstrate that factors including layer thickness, printing speed, and orientation significantly affect the tensile strength of ABS printed samples. Discovering the process settings that could lead to superior mechanical and physical characteristics would undoubtedly assist designers and manufacturers worldwide as the FDM 3D printer becomes more and more crucial in manufacturing engineering parts.

The expression of the Fasciola hepatica Carboxylesterase type B (CestB) gene is induced in response to the anthelmintic triclabendazole (TCBZ), resulting in a significant increase in enzymatic specific activity. Furthermore, the amino acid sequence of CestB exhibits variations that could lead to substantial amino acid substitutions at the ligand-binding site. These substitutions have the potential to affect the interaction between the ligand and the protein, as well as the catalytic properties of the enzyme. The objective of this study was to identify new CestB polymorphisms in TCBZ-resistant parasites using 3D modeling against the metabolically oxidized form of the anthelmintic TCBZSOX. Our aim was to observe the formation of TCBZSOX-specific binding pockets that could potentially explain the resistance to anthelmintic agents. We identified a CestB polymorphism in a TCBZ-resistant strain of parasites exhibiting three radical amino acid substitutions at positions 147, 215, and 243, resulting in the formation of a TCBZSOX-affinity pocket capable of binding the anthelmintic drug. Additionally, our 3D modeling analysis revealed that these amino acid substitutions also had an impact on the configuration of the CestB catalytic site, affecting the enzyme's interaction with chromogenic carboxylic ester substrates and altering its catalytic properties; however, the identified TCBZSOX-binding pocket was located far from the enzyme's catalytic site, making the enzymatic hydrolysis of TCBZSOX theoretically impossible. Nonetheless, the increased affinity for the anthelmintic may explain a drug-sequestration type of anthelmintic resistance and lays the foundation for the development of a molecular diagnostic tool for identifying anthelmintic resistance in F. hepatica.

The nine plateau lake watersheds in Yunnan are important ecological security barriers for southwest China, and the prevention and control of landslides are important considerations in the management of these watersheds. Taking Dianchi Lake watershed as a typical study area, this paper puts forward an improved comprehensive process of landslide susceptibility evalua-tion, and discusses the model’s sensitivity regarding susceptibility to landslides. The compre-hensive process is based on the weight of evidence method (WoE) and integrates many analyti-cal techniques, such as cross-validation, multi-quantile cumulative Student’s comprehensive weight analysis, independence tests, step-by-step modeling, ROC analysis and ROC-based sus-ceptibility zoning. This paper established fourteen models, with high accuracy and validity AUC, reaching 0.83-0.87 and 0.85-0.88, respectively. Moreover, according to the susceptibility zoning map compiled using the optimal model, 80% of landslides can be predicted in the very high and high susceptibility zones, which only account for 19.58% of the study area. Finally, the strategies for geological disaster prevention and ecological restoration deployment were put forward, providing great guiding significance for deeply understanding the landslide susceptibility of lake watersheds (Dianchi Lake) in Yunnan Plateau and guiding the planning and deployment of landslide prevention and mitigation activities and ecological restoration in the watershed.

Transmembrane carriers of the Slc11 family catalyze proton (H+)-dependent uptake of divalent metal-ions (Me2+) such as manganese and iron - vital elements coveted during infection. Slc11 mechanism of high affinity Me2+ cell import is selective and conserved between prokaryotic (MntH) and eukaryotic (Nramp) homologs, though processes coupling the use of the proton motive force to Me2+ uptake evolved repeatedly. Adding bacterial piracy of Nramp genes spread in distinct environmental niches suggests selective gain of function that may benefit opportunistic pathogens. To better understand Slc11 evolution Alphafold (AF2)/Colabfold (CF) 3D predictions for bacterial sequences from sister clades of eukaryotic descent (MCb and MCg) were compared using both native and mutant templates. AF2/CF model an array of native MCb intermediates spanning the transition from outward open (OO) to inward open (IO) carrier. In silico mutagenesis targeting i) a set of (evolutionary coupled) sites that may define Slc11 function (putative synapomorphy), and ii) residues from networked communities evolving during MCb transition, indicate Slc11 synapomorphy primarily instructs Me2+-selective conformation switch which unlocks carrier inner gate, and contributes to Me2+ binding site occlusion and outer gate locking. Inner gate opening apparently proceeds from interaction between transmembrane helix (h) h5, h8 and h1a. MCg1 xenologs revealed marked differences in carrier shape and plasticity, owing partly to altered intramolecular H+-network. Yet, targeting Slc11 synapomorphy also converted MCg1 IO models to OO state, apparently mobilizing the same residues to control gates. But MCg1 response to mutagenesis differed, extensive divergence within this clade correlating with MCb-like modeling properties. Notably, MCg1 divergent epistasis marks emergence of the genus Bordetella-Achromobacter. Slc11 synapomorphy localizes to the 3D areas that deviate least among MCb and MCg1 models (either IO or OO) implying it constitutes a 3D network of residues articulating Me2+-selective carrier conformation switch which is maintained in fast evolving clades at the cost of divergent epistatic interactions impacting carrier shape and dynamics.

In this paper, Akbari-Ganji's and Taylor series methods are applied to find analytical solutions to nonlinear differential equations that arise in an immobilized-cell photobioreactor. Approximate analytical expressions for substrate and product concentrations and both liquid and gas phases for various parameter values are derived using both methods. Efficiency, accuracy, and convergence of the two methods relative to highly accurate numerical methods are investigated to establish reliable profiles of these two methods for solving general nonlinear equations that model various physical phenomena. Numerical simulations are presented to validate the theoretical investigations.

E-commerce platforms created to meet the needs of digital consumers, who are the leading actors of digital-oriented consumption, are increasing rapidly. Revolutionizing our daily lives by offering the digital equivalent of real-world experiences, e-commerce now offers a comfortable shopping experience that transcends the limitations of time and space. This phenomenon has been embraced by individuals spanning all age groups, from young children to the elderly. Structural equation modeling was used in this study, in which the factors affecting online shopping addiction were determined. In this direction, the causal and correlational relationships between the variables of fear of missing out (FoMO), cognitive load, personality types, some socio-demographic characteristics (gender and monthly shopping amount) and online shopping addiction in online shopping were revealed structurally. Since the purposive sampling was used, the study was carried out on 488 people. The goodness-of-fit indices included in the created model were found at an “acceptable” level (χ2/df= 2.248, p=0.000; RMSEA=0.051; GFI=0.878; AGFI=0.856; CFI=0.950; NFI=0.914). These results show that the final version of the model meets the necessary criteria for a good fit, its validity and accuracy. The study revealed the causal and correlational relationship between online shopping addiction and cognitive load, personality types, FoMO, gender, and monthly online shopping amount.

In the realm of modern drug discovery, the integration of chemoinformatics and quantitative structure-activity relationship (QSAR) modeling has emerged as a formidable alliance, enabling researchers to harness the vast potential of machine learning (ML) techniques for predictive molecular design and analysis. This review delves into the fundamental aspects of chemoinformatics, elucidating the intricate nature of chemical data and the crucial role of molecular descriptors in unveiling the underlying molecular properties. Molecular descriptors, including 2D fingerprints and topological indices, in conjunction with the structural-activity relationships (SARs), play a pivotal role in unlocking the pathway to small-molecule drug discovery. Technical intricacies of developing robust ML-QSAR models, including feature selection, model validation, and performance evaluation, are discussed herewith. Various ML algorithms, such as regression analysis and support vector machines, are showcased in the text for their ability to predict and comprehend the relationships between molecular structures and biological activities. This review serves as a comprehensive guide for researchers, providing an understanding of the synergy between chemoinformatics, QSAR, and ML. By embracing these cutting-edge technologies, predictive molecular analysis holds promise for expediting the discovery of novel therapeutic agents in the pharmaceutical sciences.

Discretization is the process of converting a continuous function or model or equation into discrete steps. In this work, adaptive and learning methods are implemented to control DC motors that are used for actuating control surfaces of unmanned underwater vehicles. Adaptive control is a method in which the controller is designed to adapt the system with parameters which vary or are uncertain. Parameter estimation is the process of computing the parameters of a system using a model & measured data. Adaptive methods have been used in conjunction with different parameter estimation techniques. Deterministic artificial intelligence, a learning-based approach that uses the process dynamics defined by physics, is also applied to control the output of the DC motor to track a specified trajectory. This work goes further to evaluate the performance of the adaptive & learning techniques based on different discretization methods. The results are evaluated based on the absolute error mean between the output & the reference trajectory and the standard deviation of the error. The first order-hold method of discretization and surprisingly large sample time of seven tenths of a second yields over sixty percent improvement over the results presented in the prequel literature.

Nuclear technologies have the potential to play a unique role delivering low carbon energy for a future net-zero society. However, for the long-term success, nuclear will need to deliver innovative solutions as proposed in iMAGINE. One of the key challenges for the envisaged highly integrated nuclear energy system is the need for a demand driven salt clean-up system. The work described provides an insight into the interplay between a potential salt clean-up system and the reactor operation in a dynamic approach. The results provided will help to optimize the parameters for the salt clean-up process by delivering a dynamically calculated priority list identifying the elements with high influence on reactor operation. The integrated model is used to investigate the ideal time for the initiation of the clean-up as well as the effect of different throughput through the clean-up system on criticality as well as on the concentration of the elements in the reactor salt. Finally, a staggered approach is proposed with the idea to phase in the chemical clean-up processes step by step to keep the reactor critical. The results provide an essential step for the progress of iMAGINE as well as the basis for the inter disciplinary work required to bring iMAGINE into real operation.

As a result of rapid population growth, an exponentially growing human population, and industrial expansion, it has become increasingly difficult to manage municipal solid wastes throughout the world. Decentralized waste management systems have created difficult situations in developing countries such as Malaysia. Wastes generated in the country, due to various cultural, social, and religious activities, organic and contributing to environmental pollution (air, water, and soil) and human health troubles. A questionnaire survey was participated by 220 construction professionals in Malaysia using structured and semi-structured methods. The framework was assessed using A partial least square structural equation modeling (PLS-SEM) to target sustainable development goals (SDG). Statistical analysis results indicate a significant effect between SCW management, since(r(270)=.687, P<0.001). Improving factors has strong relationship with SCW management, since(r(270)=.723, P<0.001). The mediation results also suggested a significant indirect positive effect of improving factors drivers on SCW management through policy-related factors sinceβ=0.688, t=8.254, P<0.001, 95% CI for β=0.536,0.866. Finally, policy-related factors construct has a strong relationship with SCWM) management, since(r(270)=.811, P<0.001) With the R Square of 0.787 and 0.785. The developed framework can improve construction waste management in the construction industry and enhance construction waste management to achieve global sustainable development goals. The findings show that one of the most critical issues of enhancing profitability is using preventive policies to reduce construction waste. This study could guide construction industry stakeholders in identifying the different waste management features during a building project's construction and design stage

Deepfake technologies are known for the creation of forged celebrity pornography, face and voice swaps, and other fake media content. Despite the negative connotations the technology bears, the underlying machine learning algorithms have a huge potential that could be applied to not just digital media, but also to medicine, biology, affective science, and agriculture, just to name a few. Due to the ability to generate big datasets based on real data distributions, deepfake could also be used to positively impact non-human animals such as livestock. Generated data using Generative Adversarial Networks, one of the algorithms that deepfake is based on, could be used to train models to accurately identify and monitor animal health and emotions. Through data augmentation, using digital twins, and maybe even displaying digital conspecifics where social interactions are enhanced, deepfake technologies have the potential to increase animal health, emotionality, sociality, animal-human and animal-computer interactions and thereby animal welfare, productivity, and sustainability of the farming industry.

By the study of the pattern book Ying Zao Fa Shi (building regulations of Song Dynasty, 1103 AD), while analyzing the combining and dimensioning rule of timber framework and tile work, a model self-generating program has been compiled for the first time. The operating framework has been firstly defined, while solving the issues of clustering principle, connecting method, output classification, etc. with the detailed description of algorithm theory. Taking the corner bracket set and nine-ridge roof for example, after the compilation and debug by Grasshopper, according to various input parameters, various models have been generated automatically by the plugin, proving the velocity and the veracity of the algorithm.

Today massive amounts of sequenced metagenomic and -transcriptomic data from different ecological niches and environmental locations are available. Scientific progress depends critically on methods that allow extracting useful information from the various types of sequence data. Here, we will first discuss types of information contained in the various flavours of biological sequence data, and how this information can be interpreted to increase our scientific knowledge and understanding. We argue that a mechanistic understanding is required to consistently interpret experimental observations, and that this understanding is greatly facilitated by the generation and analysis of dynamic mathematical models. We conclude that, in order to construct mathematical models and to test mechanistic hypotheses, time-series data is of critical importance. We review diverse techniques to analyse time-series data and discuss various approaches by which time-series of biological sequence data was successfully used to derive and test mechanistic hypotheses. Analysing the bottlenecks of current strategies in the extraction of knowledge and understanding from data, we conclude that combined experimental and theoretical efforts should be implemented as early as possible during the planning phase of individual experiments and scientific research projects.

Recent technological improvements have made abundant changes in construction industry. In specific, some technical applications, such as Building Information Modeling (BIM) opens up many possibilities. Some studies have articulated the use of BIM and its advantages in construction, but most of them are theoretical, not practical. This study is to provide an insight to such obstacles in BIM research. By investigating a real project that could utilize BIM in planning and construction phases, the authors try to investigate a possible outline of advantages in BIM implementation. The study area was set to a railway construction site in South Korea. The site covers a multiple railway tracks, stations, telecommunication facilities, infrastructure facilities, railway structures, and so numerous. In the site, the authors have identified 12 errors in 7 projects that could be prevented if BIM was utilized before the construction. The total upfront costs required to provide a BIM for 7 projects were $116,348. On the other hand, the total costs required to fix the errors in 7 projects were $166,486. This can be regarded as the benefits of using BIM because if BIM was implemented then the associated errors are easily replaced. Therefore, the benefit-cost ratio can be estimated as 1.32 for one-month delay and 1.36 for a three-month delay.

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

The importance of predicting the exposure to environmental hazards is highlighted by issues like global climate change, public health problems caused by environment stresses, and property damages and depreciations. Several approaches have been used to assess potential exposure and achieve optimal results under various conditions, for example, for different scales, groups of people, or certain points in time. Micro-simulation tools are becoming increasingly important in human exposure assessment, where each person is simulated individually and continuously. This paper describes an agent-based model (ABM) framework that can dynamically simulate human exposure levels, along with their daily activities, in urban areas that are characterized by environmental stresses such as air pollution and heat stress. Within the framework, decision making processes can be included for each individual based on rule-based behavior to achieve goals under changing environmental conditions. The ideas described in this paper are implemented in a free and open source NetLogo platform. A simplified modeling scenario of the ABM framework in Hamburg, Germany, further demonstrates its utility in various urban environments and individual activity patterns, and portability to other models, programs and frameworks. The prototype model can potentially be extended to support environmental incidence management by exploring the daily routines of different groups of citizens and compare the effectiveness of different strategies. Further research is needed to fully develop an operational version of the model.

The three-dimensional single fin configuration finds application in an intake geometry where the cowl-shock wave interacts with the side-wall boundary-layer. Accurate numerical simulation of such three-dimensional shock/turbulent boundary-layer interaction flows, which are characterized by the appearance of strong crossflow separation, is a challenging task. Reynolds-averaged Navier-Stokes computations using the shock-unsteadiness modified Spalart-Allmaras model is carried out at Mach of 5 at large fin angle of 23^◦. The computed results using the modified model are compared to the standard Spalart-Allmaras model and validated against the experimental data. The focus of work is to implement the modified model and to study the flow physics in detail in the complex region of swept-shock-wave turbulent boundary-layer interaction in terms of the shock structure, expansion fan, shear layer and the surface streamlines. The flow structure is correlated to the wall pressure and skin friction in detail. It is observed that the standard model predicts an initial pressure location downstream of the experiments. The modified model reduces the eddy viscosity at the shock and predicts close to the experiments. Overall, the surface pressure using modified model is predicted accurately at all the locations. The skin friction is under predicted by both the models in the reattachment region and is attributed to the poor performance of turbulence models due to flow laminarization.

Estimation of core and surface temperature is one of the crucial functionalities of the lithium-ion Battery Management System (BMS) towards providing effective thermal management, fault detection and operational safety. While, it is impractical to measure core temperature using physical sensors, implementing a complex estimation strategy in on-board low-cost BMS is challenging due to high computational cost and the cost of implementation. Typically, a temperature estimation scheme consists of a heat generation model and a heat transfer model. Several researchers have already proposed ranges of thermal models having different levels of accuracy and complexity. Broadly, there are first-order and second-order heat capacitor-resistor-based thermal models of lithium-ion batteries (LIBs) for core and surface temperature estimation. This paper deals with a detailed comparative study between these two models using extensive laboratory test data and simulation study to access suitability in online prediction and onboard BMS. The aim is to guide whether it’s worth investing towards developing a second-order model instead of a first-order model with respect to prediction accuracy considering modelling complexity, experiments required and the computational cost. Both the thermal models along with the parameter estimation scheme are modelled and simulated using MATLAB/Simulink environment. Models are validated using laboratory test data of a cylindrical 18650 LIB cell. Further, a Kalman Filter with appropriate process and measurement noise levels are used to estimate the core temperature in terms of measured surface and ambient temperatures. Results from the first-order model and second-order models are analyzed for comparison purposes.

For water-stressed regions like Iran improving the effectiveness and productivity of agricultural water-use is of utmost importance due to climate change and unsustainable demands. Therefore, a hydro-economic model has been developed here for the Zarrine River Basin with the central concept of that demands are value-sensitive functions, where quantities of water-uses at different locations and times have a changeable economic benefits. To do this, the potential crop yields and the surface and groundwater resources, especially Boukan Dam inflow are simulated using the hydrologic model, SWAT, based on predicted climatic scenarios i.e. quantile mapping-downscaled projections. Then, to allocate the agricultural water based on the agro- economic crop water productivity (AEWP) of crops, a basin-wide water management tool, MODSIM, is customized. Next, a simulation- optimization model has been developed using a coupled CSPSO-MODSIM, to optimize the total AEWP, considering climatic impact and crop pattern scenarios, for 2020-2038, 2050-2068 and 2080-2098 periods. Finally, the optimum crop pattern and crop water irrigation depths are presented for different RCPs and periods. The results indicated that this approach will improve considerably the AEWPs and decrease the agricultural water-use up to 40%. Thus, this integrated model is able to support water authorities and other stakeholder in a water-scarce basin, as is the study area.

The paper discusses how joint damage and deterioration affect the seismic response of existing reinforced concrete frames with sub-standard beam-column joints. The available simplified modeling techniques are critically reviewed to propose a robust, yet computationally efficient technique for simulating the nonlinear behavior of substandard beam-column joints. Improvements over the existing models include simulation of the cyclic deterioration of joint stiffness and strength as well as pinching in the hysteretic response, implemented considering a deteriorating hysteretic rule. A fibre-section forced-based inelastic beam-column element is developed; considering improved material models and fixed-end rotation due to bond failure, rebars-slip and inelastic extension, to simulate the deteriorating cyclic behavior of existing pre-cracked beam-column members. For the assessment of frames with substandard exterior beam-column joints, a nonlinear model for the exterior joint is developed and validated through a full-scale quasi-static cyclic test performed on a substandard T-joint connection. The proposed model allows considering structural performance in risk assessment while accounting for true inelastic mechanisms at the joints.

Biomolecular structure drives function, and computational capabilities have progressed such that the prediction and computational design of biomolecular structures is increasingly feasible. Because computational biophysics attracts students from many different backgrounds and with different levels of resources, teaching the subject can be challenging. One strategy to teach diverse learners is with interactive multimedia material that promotes self-paced, active learning. We have created a hands-on education strategy with a set of fifteen modules that teach topics in biomolecular structure and design, from fundamentals of conformational sampling and energy evaluation to applications like protein docking, antibody design, and RNA structure prediction. Our modules are based on PyRosetta, a Python library that encapsulates all computational modules and methods in the Rosetta software package. The workshop-style modules are implemented as Jupyter Notebooks that can be executed in the Google Colaboratory, allowing learners access with just a web browser. The digital format of Jupyter Notebooks allows us to embed images, molecular visualization movies, and interactive coding exercises. This multimodal approach may better reach students from different disciplines and experience levels as well as attract more researchers from smaller labs and cognate backgrounds to leverage PyRosetta in their science and engineering research. All materials are freely available at https://github.com/RosettaCommons/PyRosetta.notebooks.

We extended our model of the S1 tubular segment to address the mechanisms by which SGLT1 interacts with lateral Na/K pumps and tight junctional complexes to generate isosmotic fluid reabsorption via tubular segment S3. The strategy applied allowed simulation of laboratory experiments. Reproducing known experimental results constrained the range of acceptable model outputs and contributed to minimizing the free parameter space. 1. In experimental conditions, published Na and K concentrations of proximal kidney cells were found to deviate substantially from their normal physiological levels. Analysis of the mechanisms involved suggested insufficient oxygen supply as the cause and indirectly, that a main function of the Na/H exchanger (NHE3) is to extrude protons stemming from mitochondrial energy metabolism. 2. The water path from the lumen to the peritubular space is through aquaporins on the cell membrane and claudin-2 at paracellular tight junctions, with a smaller additional contribution to water transport by the coupling of 1 glucose:2 Na:200 H2O in SGLT1. 3. A Na+-uptake component passed through paracellular junctions by solvent drag in Na- and water-permeable claudin-2, thus bypassing the Na/K-pump, in agreement with the findings of early studies. 4. Electrical cross talk between apical rheogenic SGLT1 and lateral rheogenic Na/K pumps results in tight coupling of luminal glucose uptake and transepithelial water flow. 5. Isosmotic transport is achieved by Na-mediated ion recirculation at the peritubular membrane.

Metabolomics studies require a deep understanding of enzyme dynamics and their responses to environmental disturbances within a complex metabolic network. This paper presents a novel approach to modeling enzyme activity as a dynamic topological manifold, where each enzyme is represented as a node, and their interactions are described by differential equations. These equations account for both compensatory interactions and external perturbations, simulating how enzymes dynamically stabilize their activities in response to varying conditions. We explore the application of this model to visualize enzyme interactions, using graph theory to represent the network structure and color gradients to illustrate interaction intensities. Multiple disturbances are introduced to analyze the network's resilience and adaptability over time. The results provide insights into the compensatory mechanisms within enzymatic networks, offering a comprehensive visualization through both static and dynamic representations. Our approach allows for a better understanding of how enzymatic systems buffer against mutations and environmental stressors, contributing to the broader field of systems biology and metabolomics.

Surface–subsurface soil-rock modeling is crucial for infrastructure design and groundwater yield optimization, especially in the complex crystalline basement terrains of Penang Island, Malaysia. This study conducted large-scale characterization of soil-rock profiles using ERT, SRT, rock quality designation, and soil penetration test (SPT N-values) data, optimized through regression modeling. The approach effectively identified soil-rock structures and their suitability to prevent structural failures and enhance groundwater productivity. Correlations between borehole lithologic logs and velocity–resistivity models revealed distinct soil compositions across the study area. The results highlighted thick, saturated, and loose silty to sandy bodies in the eastern to northern sections, contrasting with sandy compositions and penetrative fractures in the southern part. The study also found good correlations between rock mass quality and N-values for different soil types. Depths of intra-bedrock weathered/fractured units varied between 12 and >35 m. This has significant implications for determining optimal foundation depths in the study area. Groundwater productivity was associated with intra-bedrock planes of weakness at depths exceeding 40 m. Overall, this study developed empirical relations between geophysical and geotechnical parameters for wet tropical granitic terrains, filling critical gaps in understanding subsurface characteristics.

This article presents a new methodology for modeling and analyzing discrete dynamic systems through the construction of inverse algebraic models, giving rise to the Theory of Inverse Discrete Dynamical Systems. Key concepts such as inverse modeling, structural analysis in inverse algebraic trees, and the establishment of topological equivalences for the analytical transfer of properties between the canonical system and its inverted counterpart are introduced. Central theorems on homeomorphic invariance and topological transport are demonstrated, consolidating the validity of transferring cardinal attributes between both equivalent dynamic representations. As a concrete application, an alternative proof of the historic Collatz Conjecture is presented through the rigorous construction of the associated inverse model and the analytical transfer of properties exhibited in the inverted tree structure. Furthermore, evidence has been presented on Conway's Conjecture in the Game of Life through meticulous inverse modeling in bounded cases, overcoming initial limitations of the theory in combinatorial explosions. Although a complete proof of the conjecture is not achieved, this positively expands the modeling and analysis capacity of the methodology. The impact of properly applying this novel theory to expand understanding and solve open problems in discrete dynamical systems seems vast and profound.

The study aimed to know the direct effect of strategic leadership on the quality of service represented by wireless communications services, in addition to knowing the indirect effect of strategic leadership on the quality of service when using performance as an intermediary variable. This research was conducted in government institutions in the Republic of Yemen. Represented by the offices of the Ministry of Communications and Information Technology in five Yemeni cities, it targeted senior management employees, boards of directors, and middle management concerned with strategic planning and strategic leadership. To measure and evaluate the factors of strategic leadership and service quality in Offices of the Yemeni Ministry of Communications Ministry of Communications and Information Technology of the Republic of Yemen. Moreover, performance. A questionnaire was formulated and distributed to the study sample, and data was collected through questionnaires for 150 individuals in some offices of the Yemeni Ministry of Communications. This study uses structural equation model analysis from the Partial Least Squares program through the Smart Plus 4 programs. The study reached a set of results, including that all models show a direct, positive and significant effect of strategic leadership on the quality of service represented by the quality of services in the offices of the Ministry of Communications. As well as the positive relationship between them, as well as the direct and positive impact of performance on the quality of service, as well as the positive and significant relationship between them. While the results indicated a positive and significant indirect effect of strategic leadership on service quality, there is also a positive and significant indirect relationship between strategic leadership on service quality when using performance as an intermediary variable.

Unsupervised physics-informed deep learning can be used to solve computational physics problems by training neural networks to satisfy the underlying equations and boundary conditions without labeled data. Parameters such as network architecture and training method determine the training success. However, the best choice is unknown a priori as it is case specific. Here, we investigated network shapes, sizes, and types for unsupervised physics-informed deep learning of the two-dimensional Reynolds-averaged flow around cylinders. We trained mixed-variable networks and compared them to traditional models. Several network architectures with different shape factors and sizes were evaluated. The models were trained to solve the Reynolds-averaged Navier-Stokes equations incorporating Prandtl's mixing length turbulence model. No training data were deployed to train the models. The superiority of the mixed-variable approach was confirmed for the investigated high Reynolds number flow. The mixed-variable models were sensitive to the network shape. For the two cylinders, differently deep networks showed superior performance. The best fitting models were able to capture important flow phenomena such as stagnation regions, boundary layers, flow separation, and recirculation. We also encountered difficulties when predicting high Reynolds number flows without training data

Delivery of drugs through the nasal route provides an alternative, yet highly efficacious modality for administering both large and small pharmaceutic molecules. This method proves particularly advantageous for drugs that are unstable during oral administration, as they undergo significant degradation in the gastrointestinal tract or metabolization through the first-pass effect in the liver. Nasal administration stands as a viable alternative to parenteral therapy and is also suitable for long-term medical management. The nasal mucosa, characterized by high vascularity and permeability, facilitates rapid pharmaceutical absorption, ensuring a swift onset of therapeutic action. Despite its noninvasive nature, the nasal delivery technique finds broad applicability for both local treatment and systemic therapy, as the drug directly enters systemic circulation. This article explores the feasibility of a novel spray delivery mechanism for intranasal drug deposition. The study aims to determine whether users can correctly follow the state-of-the-art application instructions for a nasal spray with an optimal nozzle placement angle (namely, 12-15°) at the nostril while maintaining sufficient safety and efficacy, and without engaging in preventable usage errors that could harm the user. Additionally, the study evaluates the effectiveness of device labeling, instructions for use, and a short video in supporting the correct application of the nasal spray at the optimal angle (12-15°) and assesses whether users can differentiate the product from others with similar appearances. We have also performed physical spray tests to experimentally evaluate drug penetration to the nasopharynx (a key target site for viral infections) for two different nozzle placements – one for current package instructions coming with over-the-counter spray products and the other for the optimal spray usage procedure to enhance targeted drug delivery. Human Factors (HF) validation studies were also conducted, instructing users to follow the application instructions of the nasal spray bottle with the nozzle placed at the optimal angle to target the nasopharynx. The experimental tests consistently confirmed improved penetration with the 12-15° nozzle placement, with visual cues proving effective when used in tandem with written instructions for guiding the study participants to adhere to the recommended usage procedures.

In this study, the field measurement-based validation of a novel sediment transport calculation method is presented. River sections with complex bed topography and inhomogeneous bed material composition highlight the need for an improved sediment transport calculation method. The complexity of the morphodynamic features can result in the simultaneous appearance of the gravel and finer sand dominated sediment transport (e.g. parallel bed armoring and siltation) at different regions within a shorter river reach. For the improvement purpose of sediment transport calculation in such complex river beds, a novel sediment transport method was elaborated. The base concept of it is the combined use of two already existing empirical sediment transport models. The method was already validated against laboratory measurements. The major goal of this study is the verification of the novel method with a real river case study. The combining of the two sediment transport models is based on the implementation of a recently presented classification method of the locally dominant sediment transport nature (gravel or sand transport dominates). The results are compared with measured bed change maps. The verification clearly refers to the meaningful improvement in the sediment transport calculation by the novel manner in case of spatially varying bed content.

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

In this paper we introduce a computational model for the simulation of hypervelocity impact (HVI) phenomena which is based on the Discrete Element Method (DEM). Our paper constitutes the first application of DEM to the modeling and simulating of impact events for velocities beyond 5 kms⁻¹. We present here the results of a systematic numerical study on HVI of solids. For modeling the solids, we use discrete spherical particles that interact with each other via potentials. In our numerical investigations we are particularly interested in the dynamics of material fragmentation upon impact. We model a typical HVI experiment configuration where a sphere strikes a thin plate and investigate the properties of the resulting debris cloud. We provide a quantitative computational analysis of the resulting debris cloud caused by impact and a comprehensive parameter study by varying key parameters of our model. We compare our findings from the simulations with recent HVI experiments performed at our institute. Our findings are that the DEM method leads to very stable, energy–conserving simulations of HVI scenarios that map the experimental setup where a sphere strikes a thin plate at hypervelocity speed. Our chosen interaction model works particularly well in the velocity range where the local stresses caused by impact shock waves markedly exceed the ultimate material strength.

Suicide dynamics form a complex system deeply influenced by interrelated factors, necessitating advanced methodologies for comprehensive analysis. This study pioneers the application of Particle Markov Chain Monte Carlo (PMCMC) methods in suicide research, recognized for their enhanced sampling efficiency over traditional techniques in complex, high-dimensional models. PMCMC is particularly adept at handling non-Gaussian distributions and navigating parameter spaces efficiently, preventing the entrapment in local optima. Utilizing PMCMC, our research simulated a broad spectrum of potential outcomes, clarifying the probable scenarios and their likelihoods, thus enriching the predictive accuracy and understanding of suicide dynamics. These methods facilitated the exploration of dynamic interactions among key risk factors such as mental health issues, trauma, substance use, social isolation, and access to harmful means, whose complex interplays challenge predictive modeling. The study extends previous applications of PMCMC in complex systems like H1N1, opioid crises, and COVID-19 to the domain of suicide, suggesting its potential in enhancing decision-making and intervention strategies. However, limitations due to the model's simplified assumptions and the specificity of the data to certain populations underscore the necessity for broader application to validate findings across varied demographics. In summary, while PMCMC offers robust capabilities for the dynamic modeling of suicide, it requires careful parameter selection and consideration of computational demands. Future research should continue to leverage this approach in more complex settings, enhancing our ability to predict and mitigate suicide risks effectively.

The topic of predictive toxicology has been greatly influenced by recent progress in comprehending drug toxicity processes and enhancing medication development. The integration of omics technologies, such as transcriptomics, proteomics, and metabolomics, with traditional toxicological assessments has yielded extensive knowledge about the biological pathways implicated in drug-induced toxicity. The utilization of a multi-omics method amplifies the ability to identify biomarkers that can detect toxicity at an early stage, hence enhancing the safety profile of novel therapeutic medicines. Machine learning and in silico models, such as QSAR models and multi-task deep learning algorithms, have become essential tools. They have shown great accuracy in predicting toxicity endpoints and have helped in the identification of new biomarkers and therapeutic targets. The introduction of microphysiological systems and PBPK modeling has enhanced the transfer of preclinical discoveries to clinical results, providing more precise forecasts of human reactions to medications. Notwithstanding these progressions, obstacles such as the diversity of data and the complex nature of omics data require sophisticated computational techniques for efficient analysis. Continued cooperation and established procedures are crucial to fully utilize these technologies, guaranteeing the creation of safer and more efficient medicinal agents.

Renewable energy especially insights into solar energy are crucial in the energy business cycle. In this paper, an impact study of meteorological variables on solar energy production is conducted. The paper discusses the pipeline of data analysis specific to the case study and exploits open-source machine-learning algorithms to build predictive models. RandomForestRegressor and XGBoosting regressors are used to build the predictive model. The application code is integrated into an analytic software service (Power BI) and tested on Solar energy Open Data of Saudi Arabia. The solar energy production is found to be high between 800-1000 barometric pressure locations. Global Horizontal Irradiation is found to increase when the atmospheric temperature is more than 34∘ C. The impact of relative humidity is that the produced energy is high at lower humidity points. The wind speed effect is that the produced energy is significant between 2 to 4 m/s and reaches its maximum at 2.4 m/s. The predictive models produce nearly real-time predictions with Random Forest with R²: 0.909. The paper provides Global Horizontal Irradiation estimation equations using meteorological coefficients generated by the trained regressor. The paper presents implementation methodologies and records various instances of test results. It highlights the efficacy of machine learning in predictive modeling for renewable energy applications.

Alzheimer’s disease (AD), the most common cause of dementia, is characterized by disruptions in memory, cognition, and personality, significantly impacting morbidity and mortality rates among older adults. However, the exact pathophysiological mechanism of AD remains unknown, and effective treatment options for AD are still lacking. Human induced pluripotent stem cells (iPSC) are emerging as promising platforms for disease research, offering the ability to model genetic mutations associated with various conditions. Patient-derived iPSCs are useful for modeling neurodegenerative and neurodevelopmental disorders. In this study, we generated AD iPSCs from peripheral blood mononuclear cells obtained from a 65-year-old patient with AD carrying the E682K mutation in the amyloid precursor protein (APP) gene. Cerebral organoids derived from AD iPSCs recapitulated the AD phenotype, exhibiting significantly increased levels of tau protein. Our analysis revealed that an iPSC disease model of AD is a valuable assessment tool for pathophysiological research and drug screening.

Through the use of Smart Sensor Networks (SSN), Marine Observatories (MO) provide continuous ocean monitoring. Deployed sensors may not perform as intended due to the heterogeneity of SSN devices’ hardware and software when combined with the Internet. Hence, SSN are regarded as complex distributed systems. As such, SSN designers will encounter challenges throughout the design phase related to time, complexity, sharing diverse domain experiences (viewpoints), and ensuring optimal performance for the deployed SSN. To this end, we describe in this article how we extended our previously proposed ArchiMO meta-model and design tool by extending an Enterprise Architecture Framework based on the ArchiMate Modeling Language. This extension proposes the incorporation of new Underwater Environmental Constraints (UEC) for SSN in ArchiMO which is coupled with the fusion of sensors with Artificial Intelligence. This serves as the basis for generating a new version of our ArchiMO design tool, which incorporates the new added constraints and invokes the AI created Database. To illustrate our proposal, we use the newly generated ArchiMO to create a model in the MO domain. Furthermore, we use our self-developed domain-specific model compiler to produce the relevant simulation code. Throughout the design phase, our approach contributes to handle and control the uncertainties and variances of the provided quality of service that may occur during the performance of the SSN, hence reducing the design activity’s complexity and time. It provides a way to share the different viewpoints of the designers in the domain of SSN.

The purpose of this study is to analyze how global research cooperation patterns in the secondary battery industry have changed over recent years and to identify the evolution in the focus of research. To this end, network analysis was performed using the nationality information of the authors of a 10-year multinational joint research paper related to lithium-ion batteries. Furthermore, keyword analysis and topic modeling were performed using the abstract data from the study. The results of this study confirm that some countries that are not well-known in the field, such as Australia, Spain, and France, showed high centrality, compared with the level of cooperation scale. Additionally, six research topics were identified. According to a comparison over the first half of the decade, no difference was observed in the appearance of keywords indicating high energy density and conductivity with lithium, a key mineral. Keyword distribution was high for topics like battery charging and discharging in the first half of the decade, and for next-generation battery materials, such as solid electrolytes, lithium metal anodes, and lithium-sulfur batteries in the second. These results provide insights into the establishment of R&D cooperation strategies by countries and pre-planning by companies in the battery industry.

In the evolving landscape of vibration analysis, the integration of machine learning technologies for semi-automated analytical processes presents challenges in establishing clear cause-and-effect relationships in decision-making formulas. This research addresses this gap by exploring analytical diagnosis through residual signals, enabling the identification of anomalies and underperformance in machinery. Vibration signature analysis, focusing on distinctive vibration patterns, proves instrumental in detecting bearing defects and optimizing maintenance for enhanced operational efficiency and safety. Mathematical modeling, particularly worst-case analysis, provides a structured framework for decision-making under uncertainty. The research employs descriptive methods to analyze bearing wear data, transforming it into quantitative data for multiple regression equations. The derived equations reveal the dominance of harmonics in determining bearing wear stages, with PeakVue and overall vibration further indicating damage progression. The findings emphasize the significance of harmonic detection and high-frequency vibration analysis in predicting bearing health, offering a comprehensive approach to enhance machinery reliability. The study concludes with practical recommendations for bearing damage diagnosis based on the developed mathematical models, providing valuable insights for predictive maintenance strategies.

Integrating photovoltaic (PV) systems plays a pivotal role in the global shift toward renewable energy, offering significant environmental benefits. In many instances, utility companies pay for both energy and peak demand. PV systems can effectively reduce energy consumption during their operational periods, while, their contribution during peak hours, particularly in the early morning and late evening, is often limited. To address this issue, battery storage systems are utilized for storing energy during off-peak hours and releasing it during peak times. However, finding the optimal size of PV-battery systems remains a challenge. This study proposes a novel statistical model to optimize PV-battery system sizing for enhanced peak demand reduction. The model aims to flatten 95% of peak demand days up to a certain demand threshold, ensuring consistent energy supply and financial benefit for utility companies. A straightforward and effective search methodology is employed to determine the optimal system sizes. Additionally, the model effectiveness is rigorously tested through a modified Monte Carlo simulation coupled with time series clustering to generate various scenarios to assess performance under different conditions. The results indicate that the optimal PV-battery system successfully flattens 95% of daily peak demand up to 2000 kW, yielding a financial benefit of $812,648 over 20 years.

Accurate estimation of body fat percentage is essential for various health and fitness applications. Traditional methods for measuring body fat, such as underwater weighing, can be costly and inconvenient. In this study, we apply machine learning techniques to predict body fat percentage using easily accessible body measurements and data. The results highlight the effectiveness of regression models in estimating body fat, with Linear Regression, Ridge Regression, and Bayesian Ridge models achieving R-squared scores of approximately 74%, 73%, and 73%, respectively. These models provide a practical and cost-effective solution for individuals and professionals seeking reliable body fat estimates.

Hemolysin II (HlyII) – one of the pathogenic factors of Bacillus cereus, a pore-forming β-barrel toxin – possesses a C-terminal extension of 94 amino acid residues, designated as the C-terminal domain of HlyII (HlyIICTD), which plays an important role in the functioning of the toxin. Our previous work described a monoclonal antibody (HlyIIC-20), capable of strain-specific inhibi-tion of hemolysis caused by HlyII, and demonstrated the dependence of the efficiency of hemol-ysis on the presence of proline at position 324 in HlyII outside the conformational antigenic de-terminant. In this work, we studied 16 mutant forms of HlyIICTD. Each of the mutations, ob-tained by multiple site-directed mutagenesis leading to the replacement of amino acid residues lying on the surface of the 3D structure of HlyIICTD, led to a decrease in the interaction of HlyIIC-20 with the mutant form of the protein. Changes in epitope structure confirm the high conformational mobility of HlyIICTD required for the functioning of HlyII. Comparison of the effect of the introduced mutations on the effectiveness of interaction between HlyIICTD and HlyIIC-20 and a control antibody recognizing a non-overlapping epitope enabled identifying the amino acid residues N339, K340 included in the conformational antigenic determinant rec-ognized by HlyIIC-20.

Combined sewer overflow (CSO) is a significant environmental concern and public health (e.g., water contamination, eutrophication, and beach closure). The Environmental Protection Agency (EPA) has introduced the National Pollutant Discharge Elimination System (NPDES) permitting program to regulate and address this matter. This program mandates the control of CSOs for more than 700 municipalities obligated to devise Long-term Control Plans (LTCPs) to curb combined sewer overflows and bring them down to safe levels. LTCP involves diverse strategies, including sewer separation, green infrastructure improvements, and conventional gray infrastructure upgrades. This study investigates several municipalities’ solutions for CSO problems in conventional methods and wireless sensor technology as real-time control. The investigation mainly focuses on a comparative analysis of two cities, Richmond, Virginia, and South Bend, Indiana, such as average rainfall, the frequency of overflows, and the capacity of treatment plants. The findings indicate that integrating sensor technology could significantly enhance modeling endeavors, bolster the capacity of existing structures, and substantially enhance preparedness for storm events. The EPA’s Storm Water Management Modeling (SWMM) software is utilized. Through an analysis of SWMM data, the study suggests the potential for leveraging wireless sensor technology to achieve more robust control over CSOs as a part of LTCPs.

In recent years, researchers in the field of cultural heritage have intensified their efforts to develop new ways to enhance the promotion and accessibility of cultural content in order to attract more audiences using virtual representations of physical objects (digital twins). Therefore, they increasingly include new technologies and digital tools in their operation, since their application both to the general public and among the cultural organisations themselves, is considered particularly effective. Simultaneously, the increasing quality of the produced digitizations has opened up new opportunities for further exploitation of digitization outcomes in a broader context than was initially anticipated. Responding to the growing demand of museum visitors for a personalized digital tour experience, especially in the midst of the recent Covid-2019 pandemic, the v-PalM project aims to develop a digital platform for offering virtual guidance and education services at the Museum of Paleontology and Geology that is hosted at the National Kapodistrian University of Athens. The development of the platform will be based on collecting data through several methods including crowdsourcing, innovative information and communication technologies, taking advantage of content digitization using 3D scanning devices. In this paper, we demonstrate a methodology for the digitization of paleontological findings that can be used for creating digital twins suitable for various scenarios including research, education, and entertainment.

Automatic milking systems (AMSs) are among the earliest Precision Livestock Farming developments that have transformed dairy farming worldwide. This review aims to gather, evaluate, and summarize papers that focus on the use of modeling approaches in the context of AMS. We provided a review of 60 articles with a specific focus on cows’ health, production, and behavior/management. The most used modeling approach was Machine Learning (ML, present in 63% of the studies), followed by statistical analysis (14%), fuzzy algorithms (9%), deterministic mod-els (7%), and detection algorithms (7%). Most of the reviewed studies (82%) focused on the detection of cows' health, specifically mastitis, while only 11% were concerned with milk production. Accurate forecasting of dairy cow milk yield and knowledge on the deviation between expected and observed milk yields of individual cows would be beneficial in dairy cow management. Likewise, the study of cows’ behavior and the herd management in AMSs is under-explored (7%). Despite the increasing use of ML techniques in this field there is still a lack of a robust methodology for their application. In particular, we identified a significant gap in the systematic balancing of positive and negative classes for health prediction models.

Since its introduction, back in the late 1970s, the non-affine or slip parameter, ξ, has been routinely employed by numerous constitutive models as a constant parameter. However, the evidence seems to imply that it should be a function of polymer deformation. In the present work, we phenomenologically modify a constitutive model for the rheology of unentangled polymer melts [P. S. Stephanou et al. J. Rheol. 53, 309 (2009)] to account for a non-constant slip parameter. The revised model predictions are compared against newly accumulated rheological data for a C48 polyethylene melt obtained via direct non-equilibrium molecular dynamics simulations in shear. We find that the conformation tensor data are very well predicted; however, the predictions of the material functions are noted to deviate from the NEMD data, especially at large shear rates.

Naturally occurring small molecules include a large variety of natural products from different sources that have confirmed activity against epigenetic targets. In this work we review chemoinformatic, molecular modeling and other computational approaches that have been used to uncover natural products as inhibitors of DNA metiltransferases, a major family of epigenetic targets with significant potential for the treatment of cancer and several other diseases. Examples of these computational approaches include docking, similarity-based virtual screening, and pharmacophore modeling. It is also commented the chemoinformatic-based exploration of the chemical space of naturally occurring compounds as epigenetic modulators which may have significant implications in epigenetic drug discovery and nutriepigenetics.

This paper presents a method for a decentralised peer-to-peer software license validation system using cryptocurrency blockchain technology to ameliorate software piracy, and to provide a mechanism for software developers to protect copyrighted works. Protecting software copyright has been an issue since the late 1970's and software license validation has been a primary method employed in an attempt to minimise software piracy and protect software copyright. The method described creates an ecosystem in which the rights and privileges of participants are observed.

The article is devoted to the preliminary concept of the Future Planetary Defense System (FPDS), emphasizing Astroballistics. This paper is intended to support international efforts to improve the planetary security of the Earth. The work covers three areas of knowledge: Astronautics, Astrodynamics, and Astroballistics. The most important part of the presented article is dynamic, contact combat modeling against small, deformable celestial bodies. For these purposes, the original, proprietary hydrocode of the Free Particle Method (HEFPM-G) with gravity was used. The main aim of combat is to redirect the Potentially Hazardous Objects (PHOs) to orbits safe for the Earth or destroy them. This concept's first task is to find, prepare and use dynamic three-dimensional models of celestial bodies' motion and spacecraft or human-crewed spaceships in the Solar System's relativistic frame. The second task is to prepare the FPDS' architecture and computer simulation space missions' initial concepts in the internal part of the solar system. The third and main task covers simulating, using hydrocodes, selected methods of fighting 100 m and 140 m diameter asteroids. The order of the article is as follows. The first part of the article presents an architecture and FPDS' modus operandi. Preliminary design and development of FPDS' space missions, including navigation, mission dynamics simulation, is prepared using an open-source space mission analysis and design tool. E.g., Asterank and Trajectory Browser or GMAT are presented in the second part. The third part of the article is devoted to computer hydrocodes (HEFPM-G) and the modeling and simulation of asteroid–asteroid collision, laser radiation effects on an asteroid, and FPDS spacecraft's warhead contact interaction on the small celestial body. The authors formulated the Main Planetary Defense Problem (MPDP) in this paper. The proposition of this problem solving has been realized by preparing its concepts, architecture, and modus operandi of the FPDS mission. Finally, a series of realistic simulations were made using hydrocode to deflect or destroy dangerous asteroids. The summary and conclusions can be found in the fourth part of the article.

Mexico shows a high birth prevalence of congenital hypothyroidism (CH) due to thyroid dysgenesis (TD). PAX8 defects underlie only 1% of these cases and NKX2-1 does not seem to be involved. Here, we analyzed other TD-related genes in 128 non-related Mexican patients (females 77.3%; 6 months to 16.6 years) with non-syndromic CH-TD diagnosis established by clinical evaluation, thyroid hormone serum profiling, and scintigraphy (74%) or ultrasonography (26%). We performed Sanger sequencing of FOXE1, NKX2-5, and TSHR and evaluated copy number variations (CNVs) in TSHR, FOXE1, PAX8, and NKX2-1 by multiplex ligation-dependent probe amplification. Odds ratios for TD risk were explored for FOXE1 polyalanine stretches [polyAla-rs71369530] in cases and controls (N=116). Five rare missense changes cataloged as benign (NKX2-5:p.(Ala119Ser)-rs137852684), of unknown significance (FOXE1:p.(Ala335Gly)-rs543372757; TSHR:p.(Asp118Asn)-rs1414102266), and likely pathogenic (FOXE1:p.(Gly124Arg)-rs774035532; TSHR:p.(Trp422Arg)-rs746029360) accounted for 1.5% (N=2/128) of clinically relevant genotypes (supported in part by protein modeling) in CH-TD. No CNVs were identified, nor did polyAla >14 alanines in FOXE1 significantly protect against TD. The present and previously published data collectively show that small clinically relevant germline variants in PAX8, FOXE1, and TSHR are found in only a very small proportion (2.5%) of isolated CH-TD Mexican patients.

The shaft hydropower plant (SHPP) is a novel hydraulic concept for low-head hydropower sites with several environmental and operational advantages over conventional layouts. However, the first two projects implementing this concept have shown comparatively high construction costs and project risks. Therefore, further optimization is required to the economic attractiveness and enabling broader market adoption. Initial model tests recommend a square-shaped shaft inlet with a three-sided approach flow for low-loss and fish-friendly inflow conditions. Yet, this design requires significant space for structural implementation and may be unsuitable for use with multiple shafts or as an extension of non-powered dams and weirs. This research paper presents the application of a computational fluid dynamics simulation setup to evaluate the hydraulic per-formance of various design configurations, especially, alternative design layouts with one-sided approach flow without further physical model tests,. The simulation setup is calibrated against observations including head loss and velocity measurements from the physical model tests, and its satisfactory performance enables the analysis of alternative design layouts. This aims to derive the most significant design parameters for achieving the desired hydraulic conditions at the intake. Increasing the flow depth before the intake and enlarging the inlet area have the most significant impact, while increasing the overflow of the front gate has the least significant effect.. The chosen CFD application is deemed suitable for hydraulic design optimization and provides guidance on the key parameters to focus on for tailored site-specific design development.

Electric mobility is a global trend and necessity, with electric and solar boats offering a promising alternative for transportation electrification and carbon emission reduction, especially in the Amazon region. This study analyzes the system of a solar boat from the SIMA project, to be implemented at UFPA, using MATLAB software for modeling. The Simulink tool was utilized to model the system, focusing on operational parameters such as module voltage, converter voltage, and speed. Results indicate that the solar boat's operational cost is significantly lower compared to a similar internal combustion model, considering diesel's high consumption and cost. The environmental impact is also reduced, with nearly 72 tons of CO2 emissions avoided annually, thanks to Brazil's renewable energy matrix. Simulations confirmed the project's parameters, demonstrating the efficiency of digital twin technology in monitoring and predicting system performance. The study underscores the importance of digital twins and renewable energy in promoting sustainable transportation solutions, advocating for the replication of such projects globally. Future research should focus on further advancing digital twin applications in electric mobility to enhance predictive maintenance and operational efficiency.

The construction of tunnels excavated by the conventional method in densely populated urban environments requires an adequate characterization of the loads acting on the primary lining during the excavation process to ensure that the ground is deformed and stresses around the tunnel are relieved, simultaneously complying with the failure and serviceability limits of international standards while minimizing damage to nearby structures. In this paper, common lining design criteria are revisited, through the numerical simulation of an instrumented tunnel section which is part of a 4.5 km long metro line currently under construction in Mexico City. Key needs for improvement in current design approaches are identified. The tunnel was instrumented with load cells, extensometers, and topographical references for convergences and divergences. A three-dimensional finite difference model of the instrumented section was developed, and the load transfer mechanisms between the excavated soil and the primary lining was analyzed. Then, the numerical simulation of the contribution of the secondary lining in the overall stability for sustained load was established, along with the expected ground settlements, which can significantly affect nearby structures. Results gathered from this research are key for updating lining design criteria for urban tunnels built in stiff brittle soils.

Due to the ongoing global warming on the Earth, permafrost degradation has been extensively taking place, which poses a substantial threat to civil and industrial facilities and infrastructure elements, as well as to the utilization of natural resources in the Arctic and high-latitude regions. In order to prevent the negative consequences of permafrost thawing under the foundations of constructions, various geophysical techniques for monitoring permafrost have been proposed and applied so far: temperature, electrical, seismic and many others. At the same time, non-stationary electromagnetic methods seem to have significant potential and a number of important practical advantages. We propose a cross-borehole exploration system for the highest localization of target objects in the cryolithozone. A novel mathematical apparatus for three-dimensional modeling of transient electromagnetic (TEM) signals by the vector finite element method has been developed. The original combination of the latter, the Sumudu integral transform and artificial neural networks makes it possible to examine spatially heterogeneous objects of the cryolithozone with a high contrast of geoelectric parameters, significantly reducing computational costs. We have studied the sensitivity of the TEM signals to the boundary between thawed and frozen rocks depending on the inter-borehole distance and spatial orientations of the transmitters and receivers. Numerical simulation results of the TEM monitoring of industrial facilities located on permafrost are considered. The formation of a talik has been shown to significantly manifest itself in the measured electromagnetic responses, which enables timely prevention of industrial disasters and environmental catastrophes.

Knowledge is a property that measures the degree of awareness of an agent about a target in an environment. The goal in conventional intelligent and cognitive agent development is to build agents that can be trained to gain knowledge about a target. The definition and operations of this knowledge associated to the agent is not clear, whereas these are required for developing a reliable, scalable and flexible agent. In this paper, we provide a concise theoretical framework for the description and quantification of the knowledge property needed for an efficient design of cognitive and rational intelligent agents. We relate the quantification scheme to the epistemological description of knowledge and present many illustrative examples on the usefulness of the quantification scheme.

Understanding the dynamic interaction between piles and surrounding soil under vehicular impacts is essential for effectively designing and optimizing soil-embedded vehicle barrier systems. The complex behavior of pile-soil systems under impact loading, attributed to the soil’s nonlinear behavior and large deformation experienced by both components, presents significant simulation challenges. Popular computation techniques, such as the Updated Lagrangian Finite Element Method (UL-FEM), encounter difficulties in scenarios marked by large soil deformation, e.g., impacts involving rigid piles. While mesh-free particle and discrete element methods offer another option, their computational demands for field-scale pile-soil impact simulations are considerable. We introduce the erosion method to bridge this gap by integrating UL-FEM with an erosion algorithm designed for simulating large soil deformations during vehicular impacts. Validation against established physical impact tests confirmed the method’s effectiveness for flexible and rigid pile failure mechanisms. Additionally, this method was used to investigate the effects of soil mesh density, soil domain sizes, and boundary conditions on the dynamic impact response of pile-soil systems. Our findings provide guidelines for optimal soil domain size, mesh density, and boundary conditions. This investigation sets the stage for improved, computationally efficient techniques for the pile-soil impact problem, leading to better pile designs for vehicular impacts.

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

With the influence of Big Data culture on qualitative data collection, acquisition, and processing, it is becoming increasingly important that social scientists understand the complexity underlying data collection and the resulting models and analyses. Systematic approaches for creating computationally tractable models need to be employed in order to create representative, specialized reference corpora subsampled from Big Language Data sources. Even more importantly, any such method must be tested and vetted for its reproducibility and consistency in generating a representative model of a particular population in question. This article considers and tests one such method for Big Language Data downsampling of digitally-accessible language data to determine both how to operationalize this form of corpus model creation, as well as testing whether the method is reproducible. Using the U.S. Nuclear Regulatory Commission's public documentation database as a test source, the sampling method's procedure was evaluated to assess variation in the rate of which documents were deemed fit for inclusion or exclusion from the corpus across four iterations. The findings of this study indicate that such a principled sampling method is viable, thus necessitating the need for an approach for creating language-based models that account for extralinguistic factors and linguistic characteristics of documents.

A new model for international bed numbers is applied to local area populations for English Clinical Commissioning Groups (CCGs) where the Age Standardized Mortality Rate (ASMR) is used as a measure of population health and hence for total occupied hospital bed demand (elective plus emergency admission types, including acute, rehabilitation, mental health, and maternity), rather than simple bed availability. A 100-unit increase in ASMR (European Standard population) leads to a 15.3 – 30.7 (feasible range) unit increase in occupied beds per 1,000 deaths. ASMR shows why the Australian states of the Northern Territory and Tasmania have an intrinsic higher bed demand than the other states – although in both cases the bed planning methodologies failed to indicate this need and both states show a large bed deficit. Due to the high volatility in bed demand the average bed demand for 2019 was determined by a linear trend using data for 2014/15 to 2019/20 — as the pre-COVID-19 baseline. The slope of the relationship between occupied beds per 1,000 deaths and deaths per 1,000 population shows a power law function. As is to be expected there is scatter around the trend line which will partly arise from uncertainty in the expected occupied beds in 2019, fluctuations in both ASMR and deaths per 1,000 population from one year to another, changes in the number of persons on the elective, outpatient and diagnostic waiting lists, and local area variation in births and consequently upon maternity, neonatal and pediatric bed demand. Additional variation in bed demand will arise from differences in the level of funding for social care, especially elderly care, and to a lesser extent upon patients using private health care, and charitable hospices for palliative care. However, after including the change in bed demand arising from ASMR the model is sufficiently accurate to identify gross differences in bed demand as a prelude to further investigation. The model requires further extension to cover specialty-level demand, and perhaps segregation between elective and emergency types of inpatient demand. A method for benchmarking the whole hospital’s average bed occupancy is given which enables them to run at optimum efficiency and safety. Using this method English hospitals can be shown to operate at highly disruptive and unsafe levels of bed occupancy leading to deleterious ‘turn-away’. Turn-away implies bed unavailability for the next arriving patient. The problems associated with crafting effective bed planning are illustrated using the English NHS as an example.

Physics-informed neural networks can be trained to serve as surrogate models by learning how spatial physical fields develop with change of parameters. This is an advantage over traditional numerical methods that can only be used to calculate a single solution field for a single discrete setting of a parameter. While many studies report accurate results of physics-informed deep learning of laminar flows, evaluations of surrogate modeling of high Reynolds number flows remain sparse. To contribute to this question, we here explore the capabilities and limits of physics-informed deep learning to solve the Reynolds-averaged Navier-Stokes equations for the flow around two airfoils under variable angles of attack. No labeled training data were provided and a single network was trained to simultaneously learn several solution fields in a single training run. The network captured essential flow features such as boundary layers and high and low pressure regions. Moreover, the qualitative correlations of lift and drag with the angle of attack and the higher drag of the thicker airfoil were captured. However, comparisons with reference simulations revealed an underestimation of the shear layer gradients as well as deviations of the fields' extrema. Thus, we also debate potential future improvements to increase the accuracy of the predicted flow. This work offers a prospect on the capabilities and current limitations of physics-informed neural networks for surrogate modeling of high Reynolds number flows. We argue that the method is promising and this work is aimed to encourage further research and development of the method when applied to Reynolds-averaged flows at high Reynolds numbers.

We report a novel dual-band barrier infrared detector (DBIRD) design using type-II superlattices (T2SLs). The DBIRD structure consists of back-to-back barrier diodes: a "blue channel" (BC) diode which has an nBp architecture, an n-type layer of larger bandgap for absorbing blue band infrared/barrier/p-type layer, and a "red channel" (RC) diode which has an pBn architecture, a p-type layer of smaller bandgap for absorbing red band infrared/barrier/n-type layer. Each has a unipolar barrier using a T2SL lattice matched to a GaSb substrate to impede the flow of majority carriers from the absorbing layer. Each channel in the DBIRD can be independently accessed with a low bias voltage, as is preferable for high-speed thermal imaging. Device modeling of DBIRDs and simulation results of the current-voltage characteristics under dark and illuminated conditions are also presented. They predict that dual-band operation of the DBIRD will produce low dark currents and 27-33% quantum efficiencies for the in-band photons in the BC with λc=5.58 μm, and a nearly-constant 33% in the RC with λc=8.05 μm. The spectral quantum efficiency of the BC for 500 K blackbody radiation is approximately 20% over the range of λ=3 − 4.2 μm, while that of the RC has a peak of 42% at 5.7 μm. The DBIRD may provide improved high-speed dual-band imaging in comparison with NBn dual-band detectors.

Despite being small and simple structured in comparison to their victims, virus particles have the potential to harm severly and even kill highly developed species such as humans. To face upcoming virus pandemics, detailed quantitative biophysical understanding of intracellular virus replication mechanisms is inevitable. Unveiling the relationship of form and function might allow to determine putative attack points relevant for the systematic development of direct antiviral agents (DAA) and potent vaccines. Biophysical investigations of spatio-temporal dynamics of intracellular virus replication so far are rare. We are developing a framework to allow for fully spatio-temporal resolved virus replication dynamics simulations based on partial differential equations models (PDE) and evaluated with advanced numerical mathematical methods on leading supercomputers. This study presents an advanced highly nonlinear model of the genome replication cycle of a specific RNA virus, the Hepatitis C virus (HCV). The diffusion-reaction model mimics the interplay of the major components of the viral RNA (vRNA) cycle, namely non structural viral proteins (NSP), vRNA and a generic host factor. Technically, we couple surface PDEs (sufPDEs) on the 3D embedded 2D Endoplasmatic Reticulum (ER) manifold with PDEs in the 3D membranous web (MW) and cytosol volume. (The MWs are the replication factories growing on the ER induced by NSPs.) The sufPDE/PDE model is evaluated at realistic reconstructed cell geometries which are based on experimental data. The simulations couple the effects of NSPs which are restricted to the ER surface with effects appearing in the volume. The volume effects include the host factor supply from the cytosol and the MW dynamics. Special emphasis is put to the exchange of components between ER surface, MWs and cytosol volume. As the vRNA spatial properties are not fully understood so far in experiment, the model allows for vRNA both restricted to the ER and moving in the cytosol. The visualization of the simulation resembles a look into some sort of fully 3D resolved “in silico microscopes” to mirror and complement in vitro / in vivo experiments for the intracellular vRNA cycle dynamics. The output data are quantitatively consistent with experimental data and provoke advanced experimental studies to validate the model.

Background: Glioblastoma remains a challenging brain tumor to treat due to its infiltrative nature. Accurately identifying tumor boundaries during surgery is crucial for successful tumor resection. This study introduces an innovative intraoperative visualization method utilizing a surgical fluorescence microscope to precisely locate tumor cells. The focus of the study is on IR-Glint, a novel preparation comprising Cy7.5-labeled aptamers Gli-233nt and Gli-55_3L specific to human glioblastoma. Methods: The aptamers were modified using molecular modeling and quantum chemical techniques. The effectiveness of the preparation was assessed using flow cytometry and microscopy on primary cultures of human glioblastoma. In vivo studies were conducted on mouse and rabbit models, employing orthotopic xenotransplantation of human brain glioblastoma with various imaging techniques, including PET/CT, in vivo fluorescence visualization, confocal laser scanning, and surgical microscopy. Results: The experiments validated the potential of IR-Glint for intraoperative visualization of glioblastoma using infrared imaging. Surface application of the aptamer-based formulation on the brain allowed clear visualization of the tumor, aiding surgeons in tumor resection. This approach also reduces the dosage required and mitigates potential toxic effects on the patient. Conclusions: This study demonstrates the promising potential of using in-frared dye-labeled aptamers for intraoperative visualization of glioblastoma. By improving surgical treatment outcomes in neurosurgery, this novel approach may pave the way for future advancements in the field.

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

This work investigates how the user-controlled parameters of the 3D printing process define temperature conditions on the boundary between layers of the part being fabricated and how these conditions influence the structure and strength of the part. The process studied is fused filament fabrication with a desktop 3D printer and the material utilized is PLA (polylactic acid). As a characteristic of the part strength the fracture load in the case of a three-point bend and calculated related stress were used. During the printing process parts were oriented with the long side along the Z axis, thus, in the bend tests, the maximum stress occurred orthogonally to the layers. During the fabrication process, temperature distribution on the sample surface was monitored with thermal imager. Sample mesostructure was analyzed using SEM. The influence of the extrusion temperature, the intensity of part cooling, the printing speed and the time between printing individual layers were considered. The influence of all the parameters can be expressed through two generalizing factors: the temperature of the previous layer and the flow efficiency, determining the ratio of the amount of extruded plastic to the calculated. A regression model was proposed that describes the effect of the two factors on the printed part strength. Along with interlayer bonding strength, these two factors determine the formation of the part mesostructure (the geometry of the boundaries between individual threads). It is shown that the optimization of the process parameters responsible for temperature conditions makes it possible to approximate the strength of the interlayer cohesion to the bulk material strength.

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

The current paper is studying the influence of geometrical parameters of the FDM (FFF) 3D printing process on printed part strength for open source desktop 3D printers and the most popular material used for that purpose, i.e. PLA (polylactic acid). The study was conducted using a set of different nozzles (0.4, 0.6 and 0.8 mm) and a range of layer heights from the minimum to maximum physical limits of the machine. To assess print strength, a novel assessment method is proposed. A tubular sample is loaded in the weakest direction (across layers) in a three-point bending fixture. To explain the results obtained, a mesostructure evaluation through SEM scans of the samples were used. A significant influence of geometric process parameters was detected on sample mesostructure and, consequently, on sample strength.

A variational analysis of dispersion medium (electrolytes and surfactants) was carried out for the best nucleotide interactions with the presence of nanoparticles and the ability to formation of homogeneous coatings upon drying / lyophilization. Using UV-spectroscopy and transmission electron microscopy, the processes of immobilization of nucleotides on the surface of nanoparti-cles of the composition ZrO2-3mol% Y2O3 (YSZ) in the presence of various dispersing agents were investigated. Promising dispersing agents were established, the optimal composition of suspen-sions based on DNA nucleotides and YSZ nanoparticles, which is potentially suitable for adaptive technologies of bionanoelectronics, was selected. The aim of the work is to obtain and study functional media for molecular electronics based on heterojunctions biological molecule – wide-gap dielectric.

A variational analysis of dispersion medium (electrolytes and surfactants) was carried out for the best nucleotide interactions with the presence of nanoparticles and the ability to formation of homogeneous coatings upon drying / lyophilization. Using UV-spectroscopy and transmission electron microscopy, the processes of immobilization of nucleotides on the surface of nanoparti-cles of the composition ZrO2-3mol% Y2O3 (YSZ) in the presence of various dispersing agents were investigated. Promising dispersing agents were established, the optimal composition of suspen-sions based on DNA nucleotides and YSZ nanoparticles, which is potentially suitable for adaptive technologies of bionanoelectronics, was selected. The aim of the work is to obtain and study functional media for molecular electronics based on heterojunctions biological molecule – wide-gap dielectric.

The inclusion of active materials in 3D-printed objects presents many potential applications in a variety of fields, including medicine and agriculture. Through a new three-phase coating system, we fabricate 3D objects that are printed via fused deposition modeling (FDM), with embedded functional materials. The method, namely Continuous Material Deposition on Filaments (CMDF) is based on passing a filament through a solution in which the functional substance is dissolved together with the polymer from which the filament is made. As model cases, three different types of materials were tested, Rhodamine B, ZnO nanoparticles (NPs), and Ciprofloxacin (Cip) while dissolved or dispersed in a PLA-containing solution. It was found that the properties of the coating materials are not affected by the coating and printing steps and they are maintained on the surface of the printed structure. This enabled, for example, achieving an antibacterial activity by the ZnO NPs and the controlled release of the antibiotics, Cip. Since the approach does not alter the mechanical properties of the printed structures, it offers a simple and convenient method for the introduction of a wide range of materials into 3D-printed objects.

Higher traffic density in Russian cities and less uniform traffic due to congestions are reasons for increased emissions of pollutants contained in exhaust gases of vehicles. The paper presents the modeling results of pollutant dispersion in Magnitogorsk. The analysis of these results shows that now many blocks of flats and social infrastructure of the city are in a zone with an excess of maximum allowable concentration of pollutants. Having summarized the methodological framework formulated by Russian and foreign researchers, the authors systemized the existing methods used to decrease pollutants produced by vehicles. It is proposed to choose an optimal combination of such methods applying a developed mathematical model. By adopting an optimal combination of the methods, it is possible to ensure minimum air pollutant emissions from vehicles, allocating limited financial resources. The mathematical modeling of the solutions on changing traffic density and structure and implementing methods used to decrease pollutants on one of the Magnitogorsk crossroads with the heaviest traffic is used to draw a conclusion about efficiency of the designed model used as a tool for strategic planning of development and transformation of street networks.

Sacroiliac (SI) joint dysfunction can lead to debilitating pain but can be treated with minimally invasive sacroiliac joint fusion (SIJF). This treatment is commonly performed using 2D fluoroscopic guidance. This makes placing the implants without damaging surrounding neural structures challenging. Virtual surgical planning (VSP) using simulated fluoroscopic images may improve perioperative guidance. This article describes a workflow with VSP in SIJF using simulated fluoroscopic images and evaluates achieved implant placement accuracy. Routinely collected survey data on the added value of VSP were also evaluated. Ten interventions were performed on 10 patients by the same surgeon, comprising 30 implants; the median age was 39 years, and all patients were female. The overall mean implant placement accuracy was 4.9 ± 1.26 mm and 4.0 ± 1.44°. There were no malpositioning complications. The VSP helped the surgeon understand the anatomy and determine the optimal position and length of the implants. The average Likert scale score of the survey was 4.7, suggesting a positive role of VSP for SIJF. Planned positions of the implants could be reproduced in surgery with clinically acceptable accuracy and VSP was a valuable asset for the surgeon.

Long unpunctuated texts containing complex linguistic sentences are a stumbling block to processing any low-resource languages. Thus, approaches that attempt to segment lengthy texts with no proper punctuation into simple candidate sentences are a vitally important preprocessing task in many hard-to-solve NLP applications. In this paper, we propose (PDTS) a punctuation detection approach for segmenting Arabic text, built on top of a multilingual BERT-based model and some generic linguistic rules. Furthermore, we showcase how PDTS can be effectively employed as a text tokenizer for unpunctuated documents (i.e., mimicking the transcribed audio-to-text documents). Experimental findings across two evaluation protocols (involving an ablation study and a human-based judgment) demonstrate that PDTS is practically effective in both performance quality and computational cost.

We propose a non-invasive approach to control the quality of spheroids and their fusion into a complex bioconstruct. The proposed method is based on the union of the nutrient concentration change calculated using Fick's law and the "reaction-diffusion" equations, taking into account absorption coefficient with specifying the exact fusion geometry using implicit Function Repre-sentation (FRep) functions. The proposed approach allows us to analyze the viability of cells within the spheroid, predict the fusion of spheroids, and accurately model complex heteroge-neous biostructures as a future task for our research. These results will significantly accelerate the development of such a promising field of additive biotechnologies as 3D bioprinting.

One of the most rapidly advancing areas of deep learning research aims at creating models that learn to disentangle the latent factors of variation from a data distribution. However, modeling joint probability mass functions is usually prohibitive, which motivates the use of conditional models assuming that some information is given as input. In the domain of numerical cognition, deep learning architectures have successfully demonstrated that approximate numerosity representations can emerge in multi-layer networks that build latent representations of a set of images with a varying number of items. However, existing models have focused on tasks requiring to conditionally estimate numerosity information from a given image. Here we focus on a set of much more challenging tasks, which require to conditionally generate synthetic images containing a given number of items. We show that attention-based architectures operating at the pixel level can learn to produce well-formed images approximately containing a specific number of items, even when the target numerosity was not present in the training distribution.

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

Whenever vegetated areas are monitored over time, phenological changes in land cover should be decoupled from changes in acquisition conditions, like atmospheric components, sun and satellite heights, and imaging instrument. This especially holds when the multispectral (MS) bands are sharpened for spatial resolution enhancement by means of a panchromatic (Pan) image of higher resolution, a process referred to as pansharpening. In this paper, we provide evidence that pansharpening of visible/near-infrared (VNIR) bands takes advantage from a correction of the path radiance term introduced by the atmosphere, during the fusion process. This holds whenever the fusion mechanism emulates the radiative transfer model ruling the acquisition of the Earth’s surface from space, that is, for methods exploiting a multiplicative, or contrast-based, injection model of spatial details extracted from the panchromatic (Pan) image into the interpolated multispectral (MS) bands. The path radiance should be estimated and subtracted from each band before the product by Pan is accomplished. Both empirical and model-based estimation techniques of MS path radiances are compared within the framework of optimized algorithms. Simulations carried out on two GeoEye-1 observations of the same agricultural landscape at different dates highlight that the de-hazing of MS before fusion is beneficial for an accurate detection of seasonal changes in the scene, as measured by the normalized differential vegetation index (NDVI).

In this paper, dual-rotor counter-rotating (CR) configurations of vertical axis wind turbines (VAWT) are briefly inspected and divided into three types. This investigation was focused on one of these types – the CR-VAWT with co-axial rotors, in which two equal rotors are placed on the same shaft, displaced from each other along it and rotate in opposite directions. For this CR-VAWT with three-blade H-Darrieus rotors, the properties of the design in terms of aerodynamics, mechanical transmission and electric generator, as well as control system are analyzed. A new direct-driven dual-rotor (DR) permanent magnet synchronous generator (PMSG) was proposed, in which two built-in low-power PM electric machines have been added. They perform two functions – start-up and overclocking of the rotors to the angular velocity at which the lifting force of the blades is generated and stabilizing the CR-VAWT work as wind gusts act on the two rotors. Detailed in this paper is the evaluation of aerodynamic performance of the CR-VAWT via 3D computational fluid dynamics (CFD) simulations. The evaluation was conducted using the CONVERGE CFD software with the inclusion of the actuator line model for the rotor aerodynamics, which significantly reduces the computational effort. Obtained results show that both rotors, while they rotate in opposite directions, had a positive impact on each other: the power coefficients of the upper and lower rotors in the CR-VAWT increased by 5.5% and 13.3% respectively compared to the single-rotor VAWT at the optimal distance between the rotors of 0.3 from a rotor height.

Gene electrotransfer is one of the main non-viral methods for intracellular delivery of plasmid DNA, wherein pulsed electric fields are used to transiently permeabilize the cell membrane allowing enhanced transmembrane transport. By localizing the electric field over small portions of the cell membrane using nanostructured substrates, it is possible to increase considerably the gene electrotransfer efficiency while preserving cell viability. In this study, we design an electrotransfer approach based on commercially available cell culture inserts with polyethylene-terephthalate (PET) porous substrate. We first use multiscale numerical modelling to determine the pulse parameters, substrate pore size, and other factors that are expected to result in successful gene electrotransfer. Based on numerical results we design a simple device combining an insert with substrates containing pores with 0.4 um and 1.0 um diameter, a multiwell plate, and a pair of wire electrodes. We test the device in three mammalian cell lines and obtain transfection efficiencies similar to those achieved with bulk electroporation, but with low-voltage pulses that do not require the use of expensive electroporators. Our combined theoretical and experimental analysis calls for further systematic studies that will investigate the influence of substrate pore size and porosity on gene electrotransfer efficiency and cell viability.

Electrical microgrids are deemed to be the future of modern power systems. Microgrids are sophisticated, decentralized, and self-sufficient small-scale power systems consisting of various resources ranging from wind turbines, solar photovoltaics, electric vehicles, smart energy storage, and complex communication infrastructure. However, renewable energy sources such as solar photovoltaics and wind-based generators are highly intermittent, and if not appropriately planned, they can compromise the stability of the grid. Formal methods can define and analyze the functionality and behavior of any system and show if the system design is correct before the actual system is implemented. Although formal methods have been around for many years, it is surprising that little to none are utilized in the design of safety-critical electrical power systems. Currently, in modeling microgrids, few to no attempts of formalization are being used to improve the design reliability and reduce system operating costs and time. This work demonstrates how complex systems such as microgrids can be modeled elegantly using a formal specification method. In this work, the Z state-based formal specification language (Z-Method) is used to model and verify microgrid designs. In this work, 3-interconnected microgrid systems with a high penetration level of solar and wind-based renewable energy sources with plugin hybrid electric vehicles (PHEV) as battery energy storage systems (BESS) are modeled using the Z-method. To the best of authors, the knowledge presented formal method is one of the first reported attempts in modeling microgrid communities using Software Engineering formalism.

Human exposure to infectious aerosols results a transmission of diseases, such as influenza, tuberculosis, and COVID-19. Most dental procedures generate a significant number of aerosolized particles, increasing transmission risk in dental settings. Since the generation of aerosols in dentistry is unavoidable, many clinics started using intervention strategies such as area-filtration units and extraoral evacuation equipment, especially under the relatively recent constraints of the pandemics. However, the effectiveness of these devices in dental operatories has not been studied. Therefore, the dental personnel's ability to position and operate such instruments efficiently is also limited. To address these challenges, we utilized a real-time sensor network for assessment of aerosol dynamics during dental restoration and cleaning producers with and without intervention. The strategies tested during the procedures were (i) local area high-efficiency particle air (HEPA) filters and (ii) extra-oral suction device (EOSD). The study was conducted at the University of Washington School of Dentistry using a network of thirteen fixed sensors positioned within the operatory and one wearable sensor worn by the dental operator. The sensor network provides time and space-resolved particulate matter (PM) data. Three-dimensional (3D) visualization informs aerosol persistence in the operatory. It was found that area filters did not improve the overall aerosol concentration in dental offices significantly. An average of 16% decrease in PM concentration was observed when EOSD equipment was used during the procedures. The combination of real-time sensors and 3D visualization can provide dental personnel and facility mangers with actionable feedback to effectively assess aerosol transmission in medical settings and develop evidence-based intervention strategies.

Full-order state-space models represent the starting point for the development of advanced control methods for wind turbine systems (WTSs). Regarding existing control-oriented WTS models, two research gaps must be noted: (i) There exists no full-order WTS model in form of one overall ordinary differential equation that considers all dynamical effects which significantly influence the electrical power output; (ii) all existing reduced-order WTS models are subject to rather arbitrary simplifications and are not validated against a full-order model. Therefore, in this paper, two full-order nonlinear state-space models (of 11th and 9th-order in the (a, b, c)- and (d, q)-reference frame, resp.) for variable-speed variable-pitch permanent magnet synchronous generator WTSs are derived. The full-order models cover all relevant dynamical effects with significant impact on the system’s power output, including the switching behavior of the power electronic devices. Based on the full-order models, by a step-by-step model reduction procedure, two reduced-order WTS models are deduced: A non-switching (averaging) 7th-order WTS model and a non-switching 3rd-order WTS model. Comparative simulation results reveal that all models capture the dominant system dynamics properly. The full-order models allow for a detailed analysis covering the high frequency oscillations in the instantaneous power output due to the switching in the power converters. The reduced-order models provide a time-averaged instantaneous power output (which still correctly reflects the energy produced by the WTS) and come with a drastically reduced complexity making those models appropriate for large-scale power grid controller design.

Coastal environments, of major economic, social, and strategic importance, rely heavily on bathymetry for navigation safety, harbor development, and resource monitoring. Innovations in bathymetry include optical alternatives for shallower waters, as traditional acoustic solutions are less efficient. Recent studies demonstrated airborne imagery is an efficient option to frequently map shallow waters at synoptic scales and has the capacity to retrieve the Water Column Depth (WCD). Geometric approaches allow to obtain 3D reconstruction from images by triangulating a set of pixels that are located on more than one image (feature points). They demonstrate great potential for WCD assessment, achieving a penetration depth of over 5 meters with an accuracy in the decimeter range when creating high resolution maps of clear shallow water bodies as long as there is sufficient bottom texture with identifiable features. As the navigation safety of vessels relies on WCD accuracy, it is of utmost importance to quantify the uncertainty associated with the derived product. Studies on bathymetry estimation using geometric approaches tend to focus on the estimation accuracy, rather than the assessment of uncertainty, despite the fact that there are many sources of uncertainty. As a result, here is a lack of robust uncertainty modeling methods, crucial for assessing the quality of bathymetric charts, especially in shallow waters. In response, this research introduces a novel likelihood-based approach for through-water photogrammetry with a focus on the uncertainties associated with camera pose, a key factor affecting through-water depth mapping. Our methodology incorporates probabilistic modeling and stereo-photogrammetric triangulation. In addition to providing a realistic estimate of the uncertainty, this approach allows to handle complex cases involving noisy camera poses in addition to retrieving the water interface height. The results proposed in this paper reveal the significant influence of viewing geometry and camera pose quality on the resulting uncertainties, overshadowing the impact of depth. In addition, they demonstrate the superior performance of the likelihood ratio statistic in scenarios involving high attitude noise, high flight altitude, and complex viewing geometries. Also, we highlight the transformative potential of drone-based applications in underwater surveying, leveraging high-precision and efficient data collection to contribute to more accurate bathymetric charts.

The complex progression, specialized care, and comorbidities of chronic diseases place a financial and health burden on society. In some instances, the high hospital readmission rate is also a result of chronic diseases. The readmission rates can be decreased if the quality of life for patients is increased and healthcare costs are reduced through effective management and preventive measures. As a result, healthcare professionals, service providers, and policy-makers are looking for innovative approaches to reduce healthcare costs while enhancing the quality of care. There is an emerging trend in deploying technological advancements like artificial intelligence (AI), the Internet of Things (IoT), sensors, wearables, social media, mobile apps, and genomics to decrease hospital readmissions. In some instances, predictive analytics, early warning systems, personal-ized care management, remote monitoring and Telehealth, decision support systems, patient education and engagement, and other areas of artificial intelligence and machine learning have outperformed traditional approaches in lowering hospital readmissions. Although AI effectively reduces readmission, there are potential risks if it is not combined with efficient interventions. Therefore, real-time monitoring and intervention are required for AI systems to increase patient safety and decrease hospital readmissions. To achieve autonomy, prevent harm, achieve fairness, and achieve explicability, the ethical principles relating to AI systems should be taken into ac-count. This study examines the significant impact on health and the economy of hospital read-missions for chronic diseases and the role of AI in reducing readmissions.

Spinal Cord (SC) Anatomy is often assimilated to a morphologically encapsulated neural entity, but its functional anatomy remains only partially understood. We hypothesized that it could be possible to reexplore SC neural networks by performing live electrostimulation mapping, based on “super-selective” Spinal Cord Stimulation (SCS), originally designed as a therapeutical tool to address chronic refractory pain. As a starting point, we initiated a systematic SCS lead programming approach using live electrostimulation mapping on a chronic refractory perineal pain patient, previously implanted with multicolumn SCS at the level of the conus medullaris (T12-L1). It appeared possible to (re)explore the classical anatomy of the conus medullaris using statistical correlations of paresthesia coverage mappings, resulting from 165 different electrical configurations tested. We highlighted that sacral dermatomes were not only located more medially but also deeper than lumbar dermatomes at the level of the conus medullaris, in contrast with classical anatomical descriptions of SC somatotopical organization. As we were finally able to find a morpho-functional description of ‘Philippe-Gombault’s triangle’, in 19th century historical textbooks of neuroanatomy, matching remarkably with these conclusions, the concept of “Neuro-Fiber-Mapping” was introduced.

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

Measure While Drilling (MWD) refers to a comprehensive array of sensors employed to gather performance data throughout the process of rock drilling in mining blast holes. Multiple MWD metrics are collected by researchers depending on the setup of MWD sensors. Trends in MWD data can be correlated with pre-excavation subsurface conditions. The low-cost, extensive MWD data acquisition resolution of blast holes compared to expensive and sparsely collected exploration drill holes make the former one a desirable method for characterizing pre-excavation subsurface conditions. Nevertheless, the application of MWD technology in open pit mining is constrained by a substantial amount of data that requiring manual analysis within a short time. To address this limitation, computerized data acquisition and interpretation of MWD variables has been used to broadly determine open pit mining lithological boundaries. The results of artificial intelligence algorithms, such as Neural Networks, and Gaussian Processes, to recognize subsurface conditions, such as rock type, from MWD data have consistently returned >90% prediction accuracy. However, methods of evaluating the importance of each MWD feature, such as Principal Component Analysis, has not been optimally used. This review focuses on the progression of intelligent MWD analysis using Machine Learning methods in open-pit mining, to determine the geotechnical, geological, and geochemical subsurface characteristics before open-pit mining excavation.

This paper aims to present the basic assumptions for creation of social Fröhlich condensate and attract attention of other researchers (both from physics and socio-political science) to the problem of modelling of stability and order preservation in highly energetic society coupled with social energy bath of high temperature. The model of social Fröhlich condensation and its analysis are based on the mathematical formalism of quantum thermodynamics and field theory (applied outside of physics). The presented quantum-like model provides the consistent operational model of such complex socio-political phenomenon as Fröhlich condensation. The model of social Fröhlich condensation is heavily based on theory of open quantum systems. Its consistent elaboration needs additional efforts. Evidence of such phenomenon as social Fröhlich condensation is demonstrated by stability of modern informationally open societies Approaching the state of Fröhlich condensation is the powerful source of social stability. Understanding its informational structure and origin may help to stabilize the modern society. Application of the quantum-like model of Frhlich condensation in social and political sciences is really the novel and original approach to mathematical modeling of social stability in society exposed to powerful information radiation from mass-media and internet based sources.

Generalized relativistic pseudopotentials (GRPP) of atomic cores implying the use of different potentials for atomic electronic shells with different principal quantum numbers give rise to accurate and reliable relativistic electronic structure models of atoms, molecules, clusters, and solids. These models readily incorporate the effects of Breit electron-electron interactions and one-loop quantum electrodynamics effects. Here we report the computational procedure for evaluating one-electron integrals of GRPP over contracted Gaussian functions. This procedure was implemented in a library of routines named LIBGRPP, which can be integrated into existing quantum chemistry software, thus enabling the application of various methods to solve the many-electron problem with GRPPs. Pilot applications to electronic transitions in the ThO and UO2 molecules using the new library and intermediate-Hamiltonian Fock space relativistic coupled cluster method are presented. The results clearly demonstrate that rather economical tiny-core GRPP models can exceed in accuracy relativistic all-electron models defined by Dirac-Coulomb and Dirac-Coulomb-Gaunt Hamiltonians.

High temperature (HT) geothermal wells can provide green power 24h a day 7 days a week. Harsh environmental and operational conditions, long-term durability requirements of such wells require special cementitious composites for well construction. This paper reports a comprehensive assessment of geothermal cement composites in cyclic pressure function laboratory tests, field exposures in an HT geothermal well (300-350oC) as well as a numerical model to complement the experimental results. Performances of calcium-aluminate-cement (CAC)-based composites and calcium free cement were compared against reference Ordinary Portland Cement (OPC)/silica blend. The stability and degradation of the tested materials was characterized by crystalline composition, thermo-gravimetric, and elemental analyses, morphological studies, water-fillable porosity, and mechanical properties measurements. All CAC-based formulations outperformed the reference blend both in the function and exposure tests. The reference OPC/silica lost its mechanical properties during the 9-month well exposure through extensive HT carbonation, while properties of the CAC-based blends improved over that period. The Modified Cam-Clay (MCC) plasticity parameters of several HT cement formulations were extracted from triaxial and Brazilian tests and verified against the experimental results of function cyclic tests. These parameters can be used in well integrity models to predict field-scale behavior of the cement sheath under geothermal well conditions.

Surface waves generated by Extra-Tropical Cyclones (ETCs) can significantly affect shipping, fishing, offshore oil and gas production and other marine activities. This paper presents results of satellite-data-based investigation of wind waves generated by two North Atlantic ETCs. These ETCs were fast-moving systems, inhibiting resonance (synchronism) between the group velocity of the generated waves and the ETC translation velocity. For these cases, the wave generation begins when the front-boundary of the storm appears at a given ocean location point. Since developing waves are slow, they move backward relative to the storm, grow in time, and then leave the ETC stormy area through the rear sector. Multi-satellite observations confirm such a paradigm, and reveal that the storm regions is filled up with young developing wind waves which are most developed in the rear-right sector. As observed, the energy of these waves was growing in time during the ETC life span. It is demonstrated that the extended-fetch concept (inherent for Tropical Cyclones) does not apply for ETC. Instead, by analogy, the concept of extended-duration wave growth concept is more relevant. Satellite observations well confirm the validity of duration-laws for waves generated by ETCs, and demonstrate that extended-fetch regime for observing waves can only asymptotically be achieved, - at time intervals exceeding the lifespan of considered ETCs.

On February 24, 2022 Russia started the full-scale invasion of Ukraine, which created an unprecedented number of refugees. To estimate the influence of this humanitarian disaster on the COVID-19 pandemic dynamics, the averaged daily numbers of cases and reproduction numbers in Ukraine, the UK, Poland, Germany, the Republic of Moldova, and in the whole world were calculated for the period February-April 2022. The registered numbers of cases were compared with ones calculated with the use of the generalized SIR-model and corresponding parameter identification procedure for the previous epidemic waves in Ukraine, Poland, Germany, and the world. Since before February 24, 2022 the estimation of the number of infectious persons per capita in Ukraine 3.6 times exceeded the global figure, the increase of the number the new cases and the pandemic duration was expected. In March 2022 the increase of the averaged number of new cases in the UK, Germany, and worldwide was visible. A simple formula to estimate the effective reproduction number based on the smoothed accumulated numbers of cases is proposed. The results of calculations agree with the figures presented by John Hopkins University and demonstrate a short-term growth of the reproduction number in the UK, Poland, Germany, Moldova, and worldwide in March 2022.

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

In a previous companion study, satellite data were used to describe peculiar characteristics of ocean surface wave fields, generated by two extra-tropical cyclones (ETCs) rapidly propagating in the North Atlantic. Based on a 2D parametric wave model, further details are now provided to analyse and interpret the spatio-temporal evolution of ETC very intense generated waves. Significant wave height and wavelength values are shown to reach extreme values, 18 m and 500 m, respectively. Resulting energetic swell systems waves then radiate in the whole eastern part of North Atlantic, and more particularly in the Norwegian sea region. Moving to higher latitudes, wind forcing characteristics of ETCs evolve, with the shape of the wind field changing from quasi-cyclonic to "air jets/Icelandic lows". In this paper, the resulting swell generation and propagation, after the deformation of an individual ETC, are studied, as well. Confirmed with comparisons with multi-satellite observations, the application of the parametric-2D wave-ray model is demonstrated to provide robust and highly detailed information on wave generation under very complex wind regime changes.