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

Additive manufacturing (AM) is an attractive technology for manufacturing industry due to flexibility in design and functionality, but inconsistency in quality is one of the major limitations that does not allow utilizing this technology for production of end-use parts. Prediction of mechanical properties can be one of the possible ways to improve the repeatability of the results. The part placement, part orientation, and STL model properties (number of mesh triangles, surface, and volume) are used to predict tensile modulus, nominal stress and elongation at break for polyamide 2200 (also known as PA12). EOS P395 polymer powder bed fusion system was used to fabricate 217 specimens in two identical builds (434 specimens in total). Prediction is performed for XYZ, XZY, ZYX, and Angle orientations separately, and all orientations together. The different non-linear models based on machine learning methods have higher prediction accuracy compared with linear regression models. Linear regression models have prediction accuracy higher than 80% only for Tensile Modulus and Elongation at break in Angle orientation. Since orientation-based modeling has low prediction accuracy due to a small number of data points and lack of information about material properties, these models need to be improved in the future based on additional experimental work.

A sustainable business model describes the rationale of how an organization creates, delivers, and captures value, in economic, social, cultural or other contexts in a sustainable way. The process of sustainable business model construction forms an innovative part of business strategy. Different industries and business types have utilized sustainability business models to satisfy their economic, environmental and social goals simultaneously. This study is conducted to present the state of the art of sustainable business models in various application areas. The business models are classified and reviewed in different application groups. To do so, a review is conducted, and the findings reveal that the application of sustainability business models can be classified in 16 unique categories. The key contribution of this study is providing an insight about the state of the art of sustainable business models in various application areas and its research path.

Wildland fires are responsible for large socio-economic impacts. Fires affect the environment, damage structures, threaten lives, cause health issues, and involve large suppression costs. These impacts can be mitigated via accurate fire spread forecast to inform the incident management team. We show that a fire forecast system based on a numerical weather prediction (NWP) model coupled with a wildland fire behavior model can provide this forecast. This is illustrated with the Chimney Tops II wildland fire responsible for large socio-economic impacts. The system is run at high horizontal resolution (111 m) over the region affected by the fire to provide a fine representation of the terrain and fuel heterogeneities and explicitly resolve atmospheric turbulence. Our findings suggest that one can use the high spatial resolution winds, fire spread and smoke forecast to minimize the adverse impacts of wildland fires.

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

Multiphase systems are important in minerals processing, and usually include solid-solid and solid-fluid systems. Examples of operations in multiphase systems include flotation, dewatering, and magnetic separation, among several other unit operations. In this paper, the current trends in the process system engineering tasks of modeling, design, and optimization, in multiphase systems, are analyzed. Different scales of size and time are included, and therefore the analysis includes modeling at the molecular level and unit operation level, and the application of optimization for the design of a plant. New strategies for the modeling and optimization of multiphase systems are also included, with a strong focus on the application of artificial intelligence (AI) and the combination of experimentation and modeling with response surface methodology (RSM). The paper finishes with tools to study the uncertainty, both epistemic and stochastic, which is present in all mineral processing operations. It is shown that all these areas are very active and can help to understand, operate, design, and optimize mineral processing that involves multiphase systems.

The approach based on molecular modeling was developed to study dNTP derivatives characterized by new polymerase-specific properties. For this purpose, the relative efficiency of PCR amplification with modified dUTPs was studied using Taq, Tth, Pfu, Vent, Deep Vent, Vent (exo-), and Deep Vent (exo-) DNA polymerases. The efficiency of PCR amplification with modified dUTPs was compared with the results of molecular modeling using the known 3D structures of KlenTaq polymerase–DNA–dNTP complexes. The dUTPs were C5-modified with bulky functional groups (the Cy5 dye analogs) or lighter aromatic groups. Comparing the experimental data and the results of molecular modeling revealed the decrease of PCR efficiency in the presence of modified dUTPs with an increase in the number of non-covalent bonds between the substituents and the DNA polymerase (about 15% decrease per one extra non-covalent bond). Generalization of the revealed patterns to all the studied polymerases of the A and B families is discussed herein. The number of non-covalent bonds between the substituents and polymerase amino acid residues is proposed to be a potentially variable parameter for regulating enzyme activity.

We present the results on photothermal (PT) and heat conductive properties of nanogranular silicon (Si) films synthesized by evaporation of colloidal droplets (drop-casting) of 100 ± 50 nm sized crystalline Si nanoparticles (NP) deposited on glass substrates. Finite difference time domain (FDTD) and finite element mesh (FEM) modeling of absorbed light intensity and photo-induced spatial temperature distribution across the Si NP films were well correlated with the local temperatures measured by micro-Raman spectroscopy and used for determination of heat conductivities in the films of various thicknesses. Cubic-to-hexagonal phase transition in these films caused by laser heating was found to be heavily influenced by the film thickness and heat conductive properties of glass substrate, on which the films were deposited. Heat conductivities across the drop-casted Si nanogranular films were found to be in the range of lowest heat conductivities of other types of nanostructurely voided Si films due to enhanced phonon scattering across inherently voided topology, weak NP-NP and NP-substrate interface bonding within nanogranular Si films.

Brine-dependent recovery process has seen much global research efforts in the past two decades because of their benefits over other oil recovery methods. The process involves the tweaking of the ionic composition and strength of the injected water to improve oil production. In recent years, several studies ranging from laboratory coreflood experiments by many researchers to field trials by several companies admit to the potential of recovering additional oil in sandstone and carbonate reservoirs. Sandstone and carbonate rocks are composed of completely different minerals, with varying degree of complexity and heterogeneity, but wettability alteration has been widely considered as the consequence rather than the cause of brine-dependent recovery. However, there is no consensus on the cause as several mechanisms have been proposed to relate the wettability changes to the improved recovery. This review paper aims to provide a state-of-the-art development in published research and various efforts of the industry. This review outlines an overview of laboratory and field observations, descriptions of underlying mechanisms and their validity, the complexity of the oil-brine-rock interactions, modelling works, and comparison between sandstone and carbonate rocks. The provided information is intended to provide the reader with up-to-date information, point to relevant studies for those who are new and those implementing either laboratory- or field-scale projects to speed up the process of further investigations in this research area. Overall, the outcome of this review would potentially be of immense benefit to the oil industry.

The growing adoption of electric propulsion systems in Maritime Autonomous Surface Ships (MASS) necessitates advancements in shipboard electronics for safe, efficient, and reliable operation. These advancements are crucial for tasks like real-time sensor data processing, control algorithms for autonomous navigation, and robust decision-making capabilities. This study investigates research trends in MASS using bibliographic analysis to inform policy and future research directions in this evolving field. We analyze 3,363 MASS-related articles from the Web of Science database, employing co-occurrence word analysis and latent Dirichlet allocation (LDA) topic modeling. Findings reveal a rapidly growing field dominated by image recognition research. Keywords like "datum," "image," and "detection" suggest a focus on collecting and analyzing marine data, particularly with deep learning for synthetic aperture radar imagery. LDA confirms this, with "Image analysis and classification research" as the leading topic. The study also identifies national and organizational leaders in MASS research. However, research on Arctic routes lags behind other areas. This work provides valuable insights for policymakers and researchers, promoting a deeper understanding of MASS and informing future policy and research agendas for the integration of electric propulsion systems in the maritime industry.

The 2-oxoglutarate dehydrogenase complex (OGDHc) is a key enzyme in the TCA cycle and represents one of the major regulators of mitochondrial metabolism through NADH and reactive oxygen species levels. The OGDHc impacts cell metabolic and cell signaling pathways through the coupling of 2-oxoglutarate metabolism to gene transcription related to tumor cell proliferation and aging. DHTKD1 is a gene encoding 2-oxoadipate dehydrogenase (E1a), which functions in the L-lysine degradation pathway. The potentially damaging variants in DHTKD1 have been associated to the (neuro) pathogenesis of several diseases. Evidence was obtained for the formation of a hybrid complex between the OGDHc and E1a, suggesting a potential cross talk between the two metabolic pathways and raising fundamental questions about their assembly. Here we reviewed the recent findings and advances in understanding of protein-protein interactions in OGDHc and 2-oxoadipate dehydrogenase complex (OADHc), an understanding that will create a scaffold to help design approaches to mitigate the effects of diseases associated with dysfunction of the TCA cycle or lysine degradation. A combination of biochemical, biophysical and structural approaches such as chemical cross-linking MS and cryo-EM appears particularly promising to provide vital information for the assembly of 2-oxo acid dehydrogenase complexes, their function and regulation.

The field of water management is continually changing. Water has been subject to external shocks in the form of climate change and globalization. Analysis of water management is subject to disciplinary developments and inter-disciplinary interactions. Are these developments well documented in the literature? Initial observations on interdisciplinary literature suggest that results are fragmented, implying that a state-of-the-art review is needed. The objective of this paper is to close this gap by reviewing recent developments in water economics that address the increasing perceptions of water scarcity by looking first at changes in supply and quality of water, and then at impacts of climate change on water extremes. Among responses to such challenges, the paper identifies changes to water use patterns by including and co-managing water from different sources—surface and groundwater, wastewater, and desalinated water. Technological advancements also are among the resources that address water challenges. Water challenges reflect also on management of internationally shared water. A recent surge in scientific work identified international treaties as playing a significant role in water management. The paper reviews recently employed economic tools, such as experimental economics, game theory, institutional economics, and valuation methods. And finally, it explores modeling approaches, including hydro-economic and computable general equilibrium models that are being used to deal with water challenges.

: The cyber-physical gap (CPG) is the difference between the 'real' state of the world and the way the system perceives it. This discrepancy often stems from the limitations of sensing and data collection technologies and capabilities, and is an inevitable issue in any cyber-physical system (CPS). Ignoring or misrepresenting such limitations during system modeling, specification, design, and analysis can potentially result in systemic misconceptions, disrupted functionality and performance, system failure, severe damage, and potential detrimental impacts on the system and its environment. We propose CPG-Aware Modeling & Engineering (CPGAME), a conceptual model-based approach for capturing, explaining, and mitigating the CPG, on top of and in sync with the conventional system model, and as an inherent systems engineering activity. This approach enhances the systems engineer’s ability to cope with CPGs, mitigate them by design, and prevent erroneous decisions, actions, and hazardous implications. CPGAME is a generic, conceptual approach, specified and demonstrated with Object Process Methodology (OPM). OPM is a holistic conceptual modeling paradigm for multidisciplinary, complex, dynamic systems, which is also ISO-19450. We analyze the 1979 Three Miles Island 2 nuclear accident as a prime example of the disastrous consequences of unmitigated CPGs in complex systems.

Polyetheretherketone is a promising material for implants due to its good mechanical properties and excellent biocompatibility. Its accessibility to a wide range of applications is facilitated by the ability to process it with an easy-to-use manufacturing process such as Fused Filament Fabrication. The elimination of disadvantages associated with the manufacturing process, such as a poor surface quality, is a main challenge to deal with. As part of the mass finishing process, centrifugal disc finishing has demonstrated good results in surface optimization, making it a promising candidate for post-processing of additively manufactured parts. The objective of this study is to identify the key parameters of the centrifugal disc finishing process on the waviness of additively manufactured PEEK specimen, which has not been investigated yet. Waviness of the specimen was investigated by means of confocal laser scanning microscopy (CLSM), while weight loss was additionally tracked. Six parameters were investigated: type, amount and speed of media, use of compound, amount of water and time. Type of media, time and speed were found to significantly influence waviness reduction and weight loss. Surface electron microscopy images demonstrated the additional effects of deburring and corner rounding. Results on previous studies with specimens made of metal showed similar results. Further investigation is required to optimise waviness reduction and polish parts in a second post-processing step.

Engineer-to-order manufacturing, characterized by highly customized products and complex workflows, presents unique challenges for warehouse management and operational efficiency. This paper explores the potential of a digital twin as a transformative solution for engineer-to-order environments in manufacturing companies realizing prefabricated building components. The paper outlines a methodology encompassing users’ requirement and the design to support development of a digital twin that integrates Internet of Things devices, Building Information Modeling, and Artificial Intelligence capabilities. It delves into the specific challenges of outdoor warehouse optimization and worker safety within the context of engineer-to-order manufacturing, and how the digital twin aims to address these issues through data collection, analysis, and visualization. The research is conducted through an in-depth analysis of the warehouse of Focchi S.p.A., a leading manufacturer of high-tech prefabricated building envelopes. Focchi's production processes and stakeholder interactions are investigated, and the paper identifies key user groups and their multiple requirements for the warehouse improvement. It also examines the potential of the digital twin to streamline communication, improve decision-making, and enhance safety protocols. While preliminary testing results are not yet available, the paper concludes by underlining the significant opportunities offered by a BIM, IoT, and AI-powered Digital Twin for engineer-to-order manufacturers. The research, developed within the IRIS project serves as a promising model for integrating digital technologies into complex warehouse environments, paving the way for increased efficiency, safety, and ultimately, a competitive edge in the market of manufacturing companies working in construction industry.

Diabetes mellitus – type 2 (DM2) is a hypercoaguable state with enhanced platelets (PLTs) activation and increased clotting factor production. Simultaneously, the fibrinolytic cell system is inhibited due to formation of clots with high resistance to fibrinolysis. The stages of PLTs "activation" have been well-characterized microscopically, morphometrically and nanomechanically (by light microscope, transmisiion electron microscope - TEM, scanning electron microscope - SEM and atomic force microscope - AFM). Thrombocytes in "acivated" (pro-coagulant) state play central role in two main biological processes: hemostasis and repair of vascular vessels. Pro-coagulant PLTs participate in generation of thrombin and in development of fibrin fibers in the clot matrix. Enhanced PLTs reactivity in dibetic- (diabetes mellitus - DM2) patients is considered as a "pro-thrombotic" state. In the retrospective- and prospective- studies on the topic, the higher are the PLTs' hematometrical indices: PLTs (count), MPV (mean platelet volume), PDW (platelet distribution width), PCR (plateletcrit), as well as PLTs/Ly ratio. The PLТs parameters/indices are usefull biomarkers in early diagnosis and prognosis of DM2. The precise studies of PLTs' state of activation during DM2 might be useful for creation of new diabetes (DM2) treatment strategies and effective medicines. Using the amount of blood glucose, attached to hemoglobin (HbA1c values) as markers of glycemic control in diabetic patients, researchers have observed association between MPV and medications as Insulin, Metformin, sulphonyl ureas. Computational modellng of PLTs' activation in DM2 is also a controlling factor for thrombocyte distribution and margination in bood vessels, associated with micro- and macrovascular disease in DM2. PLTs-derived miRNAs are novel molecular biomarkers for diagnosis and prognosis of DM2, insulin resistance and diabetes complications. We have proposed (2010) oleic acid (OA) as a substance suppressing "PLT hyperactivation" and inhibiting “thrombocyte aggregation”. Antiplatelet agents, natural plant products including, could be effective in the prevention and the secondary treatment of micro- and macrovascular complications in the type 2 Diabetes mellitus. Our proposal on following up of a combination of hematological-, hemorheological- and hemostatic parameters (indices) as a new way in diagnosis, treatment, predicting and management of DM2 and its related vascular complications, probably could be more explored in future studies.

This article explores the potential of the Unreal Engine game engine as a tool for creating highly realistic 3D visualizations of GIS data, specifically in the context of significant historical areas. The research will focus on the computational techniques used in the 3D visualization of GIS data and the Unreal Engine software and its potential applications in geomatics. The article also presents several relevant scientific studies and projects that have successfully used game engines for similar purposes, explores the potential for using GIS data within a game engine, including plug-ins that provide additional functionality to GIS software, and the use of procedural modeling to create 3D objects through the CityEngine software plug-in. Finally, the research is applied to a dataset of the historical Vltava Valley covering an area of 1670 km2 to demonstrate the capabilities of Unreal Engine in creating realistic visualizations of large historical landscapes, and the resulting visualizations are presented. This practical application of the research provides valuable insights into the potential of the Unreal Engine as a powerful tool for creating highly realistic 3D visualizations of large historical areas with potential applications in the field of geomatics.

This paper presents an innovative approach to dimensionality reduction and feature extraction in high-dimensional datasets, with a specific application focus on wood surface defect detection. The proposed framework integrates sparse modeling techniques, particularly Lasso and proximal gradient methods, into a comprehensive pipeline for efficient and interpretable feature selection. Leveraging pre-trained models such as VGG19 and incorporating anomaly detection methods like Isolation Forest and Local Outlier Factor, our methodology addresses the challenge of extracting meaningful features from complex datasets. Evaluation metrics such as accuracy and F1 score, alongside visualizations, are employed to assess the performance of the sparse modeling techniques. Through this work, we aim to advance the understanding and application of sparse modeling in machine learning, particularly in the context of wood surface defect detection.

The installation of electric vehicle supply equipment (EVSE) increases demand and peak loads, potentially straining existing energy distribution infrastructure. Dispersed and inadequately planned placement of charging points (CPs) can disrupt the electrical grid, surpass contracted demand thresholds, and require infrastructure upgrades, thereby incurring unfeasible costs for Distribution System Operators (DSOs). In this context, it is necessary to recognize the role of business models in enabling effective electrification of the transportation sector. In response to these challenges, this paper introduces a novel e-mobility hub management strategy, tailored for implementation in the Brazilian context. The proposed strategy revolves around a microgrid configuration encompassing dispatchable and photovoltaic generation, a battery energy storage system (BESS), EVSE infrastructure, and local loads. Moreover, this centralized controller facilitates the implementation of dynamic pricing and demand-response mechanisms, integral to business models seeking to integrate EVSE into the distribution grid. To validate the efficacy of the proposed solution, hardware-in-the-loop (HIL) simulations of the microgrid system are conducted. These simulations, incorporating the centralized controller, serve as a tool for assessing system performance and viability before on-site equipment deployment. Finally, this paper concludes with the insights gleaned from test analysis and its discussion through a selection of the most expressive scenarios, including islanded and connected operation modes.

Pinus occidentalis, Swartz is the primary timber species in the Dominican Republic (DR). Despite its economic importance, studies conducted on this species are very scarce, making it difficult to estimate current inventory levels. This study aims to enhance the accuracy of estimating total bole volume of P. occidentalis in different ecological zones (EZs) within La Sierra, evaluating and comparing two established volume equations—combined variable and Schumacher-Hall—across nine modeling variants (MVs). An indicator variables analysis determined the necessity of distinct equations for two EZs. Fitting included both linear and nonlinear models. Our comprehensive statistical analysis included goodness-of-fit metrics to evaluate each model variant's performance rigorously. Modeling variant SH02 was most effective in the Dry Ecological Zone, showing superior performance in both fitting and validation phases. Similarly, SH03 emerged as the best fit for the Combined Intermediate and Humid Ecological Zones, achieving the lowest overall ranking sum among tested variants. The SH equation variants SH02 and SH03, provide reliable and precise volume estimations, allowing optimization of forestry management practices for P. occidentalis trees. The SH models outperformed the CV model variants' consistency in parameter estimation. This tailored approach employed ensures more accurate volume predictions, which is crucial for sustainable management and conservation efforts.

In this study, a simple machine learning-based quantitative structure-activity relationship (QSAR) model was developed to predict the inhibitory potency (pIC50 values) of FLT3 tyrosine kinase inhibitors, pivotal in treating Acute Myeloid Leukemia (AML). Distinctively, our model leverages an extensive and diverse dataset, 14 times larger than those employed in prior studies within this field, enabling an unparalleled scope of compound analysis. This vast dataset, combined with further exploration of molecular descriptors, enabled predictions of extraordinary precision, covering a broader spectrum of FLT3 inhibitors than was previously possible. The Random Forest Regressor (RFR) algorithm, selected for its superior predictive performance, was trained with 1080 inputs and validated through comprehensive external and internal methods. It achieved an remarkable coefficient of determination (R^2) of 0.941 and a standard deviation of 0.235 on a test set of 270 compounds, highlighting the efficacy of model in predicting FLT3 inhibitory activity. Key molecular descriptors were identified, enhancing our understanding of structural requirements for inhibitor potency. Additionally, we developed a user-friendly computational tool that enables the rapid prediction of pIC50 values. Utilizing this tool, potential FLT3 inhibitors were identified through ligand-based virtual screening. This study represents a major advancement in FLT3 inhibitor discovery by utilizing a simple QSAR-machine learning model. It enables more efficient and precise identification of potential drug candidates at an early stage, promising a faster development of targeted therapies and streamlining the ligand-based drug design process.

The purpose of this study is to investigate the impact of the voltage drop of a three-phase voltage source inverter in driving brushless motors. This study also proposes an enhanced Field Oriented Control scheme that accounts for the inverter voltage drop enabling efficient drive at very low motor-speeds. Experimental results are provided to verify the theoretical study and the proposed control scheme.

This paper introduces an innovative approach to numerically model Structure-Soil-Structure Interaction (SSSI) by integrating the Boundary Element Method (BEM) and the Finite Element Method (FEM) in a coupled manner. To assess the accuracy of the proposed method, a comparative study is undertaken, comparing its outcomes with those generated by the conventional FEM technique. Alongside accuracy, the computational efficiency aspect is crucial for the analysis of large-scale SSSI problems. Hence, the computational performance of the coupled BEM-FEM method undergoes a thorough examination and is compared with that of the standalone FEM method. The results from these comparisons illustrate the superior capabilities of the proposed method in comparison to the FEM method. The novel approach provides more reliable results compared to traditional FEM methods, serving as a valuable tool for engineers and researchers involved in structural analysis and design.

This study introduces a neural network-based approach to predict dust emission, specifically PM2.5 particles, during almond harvesting in California. Using a feedforward neural network (FNN), the research predicts PM2.5 emissions by analyzing key operational parameters of an advanced almond harvester. The model is trained on extensive field data from the almond pickup system, including variables like brush speed, angular velocity, and harvester forward speed. The results demonstrate a notable predictive accuracy of the FNN model, with a Mean Squared Error (MSE) of 0.02 and a Mean Absolute Error (MAE) of 0.01, indicating a high degree of precision in forecasting PM2.5 levels. The study also finds a strong correlation between certain operational parameters and PM2.5 emissions, highlighting specific areas for optimization in harvesting techniques. By integrating machine learning with agricultural practices, this research provides a significant tool for environmental management in almond production, offering a method to reduce harmful emissions while maintaining operational efficiency. This model presents a solution for the almond industry and sets a precedent for applying predictive analytics in sustainable agriculture.

In this study, we investigate the structural changes, electronic properties, and charge redistribution within azo-bithiophene (Azo-BT) chemisorbed monolayers under different light stimuli using density functional theory and molecular dynamics simulations. We consider two types of switches, Azo-BT and BT-Azo, with different arrangements of the Azo and BT blocks counting from the anchor thiol group. The chemisorbed monolayers of pure cis- and trans-isomers with a surface concentration of approximately 2.7 molecules per nm2 are modeled on a gold surface using classical all-atom molecular dynamics. Our results reveal significant shrinkage of the BT-Azo layer under UV illumination, whereas the thicknesses of the Azo-BT layer remain comparable for both isomers. This difference in behavior is attributed to the ordering of the trans-molecules in the layers, which is more pronounced for Azo-BT, leading to a narrow distribution of the inclination angle to the gold surface. Conversely, both layers consisting of cis-switches exhibit disorder, resulting in similar brush heights. To study charge transfer within the immobilized layers, we analyze each snapshot of the layer and calculate mean charge transfer integrals using Nelsen’s algorithm for a number of interacting neighboring molecules. Combining these integrals with reorganization energies defined for the isolated molecules, we evaluate the charge transfer rates and mobilities for electron and hole hopping within the layers at room temperature based on Marcus’ theory. This research offers new perspectives for the innovative design of electrode surface modifications and provides insights into controlling charge transfer within immobilized layers using light triggers. Additionally, we identify molecular properties that are enhanced through specific molecular design, which contributes to the development of more efficient molecular switches for various electronic applications.

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

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

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

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

Physics-informed neural networks are a promising method to yield surrogate models of flow fields. We present a metamodeling technique for variable geometries based on physics-informed neural networks. The method was applied to the DU99W350 airfoil at a Reynolds number of 1×10⁵. The model predicted the Reynolds-averaged velocity and pressure field around the airfoil for arbitrary angles of attack between 10.0° and 17.5°. The model was trained with data from CFD simulations for a limited set of angles of attack. Additionally, satisfaction of the a priori known boundary conditions as well as the Reynolds-averaged Navier-Stokes equations were trained. A sensitivity analysis concerning the Reynolds number, the amount and distribution of training data, and the turbulence model was conducted showing the superiority of the pseudo-Reynolds stress method and the demand of labeled training data in the domain. The trained network was capable of predicting the developing flow separation on the suction surface and exhibited excellent agreement with CFD results even in the proximity to the wall for interpolations as well as extrapolations from the labeled data set.

Precision agriculture and open-source data repositories provide a plethora of field-specific ecological data about agroecosystems, but few mechanisms have been developed to turn that information into management recommendations for crop production. The On-Farm Precision Experiments (OFPE) framework is an agroecological model-based methodology to improve crop manager’s abilities to make field-scale agronomic input decisions. This work evaluates the use of field-specific experiments that employ open-source data and the data emanating from precision agriculture technologies to gain local knowledge of the spatial and temporal variability in agroeconomic performance at the sub-field scale. Quantification of the temporal variability in crop response to inputs (e.g., crop seeding rates, crop rotations, fertilizers, other soil amendments, pesticides, etc.) allows for estimation of the probability that a future management scenario will outcompete another, in terms of crop yield, crop quality, farmer net return, or environmental quality. The challenge is to integrate OFPE into applied management with minimal disruption of stakeholder practices while drawing on historic knowledge about the field and economic constraints. OFPE is the basis of a decision support system that includes a six-step cyclical process that harnesses precision agriculture technology to apply experiments and gather field-specific data, incorporates modern data management and analytical approaches, and generates management recommendations as probabilities of outcomes. The OFPE framework allows field managers to assess the tradeoffs in agronomic input management between the maximization of crop production, quality and profits from production while considering environmental effects.

With growing city tourism, there is an increasing need for urban travel demand models to consider traffic generated by visitors. Existing research has concentrated on socio-demographic and journey-related factors to determine what influences the mode choice of tourists. In contrast, revealed preference data, like travel time, is almost never considered. In this article, we present the results of discrete choice modeling of city tourists’ mode choice based on revealed preference data from a survey we conducted in Kassel, Germany. We used multinomial logit models and determined the model parameters using maximum likelihood estimations. Surprisingly, travel time played a smaller role in mode choice than understood from previously established knowledge about everyday mobility. In the final model, travel time was only significant for the alternative walking. Also, most other sociodemographic and journey-related variables showed no significant influence. The final model reproduced the mode choice, but the goodness of fit was lower than expected from other research. We conclude that modeling the travel behavior of tourists is more complex than everyday mobility. An alternative approach that we suggest would be to model trip chains rather than single trips.

Snow is a vital environmental parameter and dynamically responsive to climate change, particularly in mountainous regions. Snow cover can be monitored at variable spatial scales using Earth Observation (EO) data. Long-lasting remote sensing missions enable the generation of multi-decadal time series and thus the detection of long-term trends. However, there have been few attempts to use these to model future snow cover dynamics. In this study, we therefore explore the potential of such time series to forecast the Snow Line Elevation (SLE) in the European Alps. We generate monthly SLE time series from the entire Landsat archive (1985-2021) in 43 Alpine catchments. Positive long-term SLE change rates are detected, with the highest rates (5-8 m/y) in the Western and Central Alps. We utilize this SLE dataset to implement and evaluate seven uni-variate time series modeling and forecasting approaches. The best results were achieved by Random Forests, with a Nash-Sutcliffe efficiency (NSE) of 0.79 and a Mean Absolut Error (MAE) of 258 m, Telescope (0.76, 268 m), and seasonal ARIMA (0.75, 270 m). Since the model performance varies strongly with the input data, we developed a Combined forecast based on the best performing methods in each catchment. This approach was then used to forecast the SLE for the years 2022-2029. In the majority of the catchments the shift of the forecast median SLE level retained the sign of the long-term trend. In cases where a deviating SLE dynamic is forecast a discussion based on the unique properties of the catchment and past SLE dynamics is required. In the future, we expect major improvements in our SLE forecasting efforts by including external predictor variables in a multi-variate modeling approach.

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

Plasmodium species that cause malaria, a disease responsible for about half a million deaths per annum despite concerted efforts to combat it. The causative agent depends on type III beta phosphatidylinositol 4-kinase (PPI4K) during the development of merozoite. PPI4K is the only clinically validated Plasmodium kinase so far and its inhibitors are effective both in vitro and in vivo. In this work, a small library of ~22 000 fragments was virtually screened using PPI4K homology model to discover potential ligands of the enzyme. 16 virtual hits were selected based on ≤ -9.0 kcal/mol binding energy cut off and were subjected to similarity and substructure searching after they had passed PAINS screening. The derivatives obtained showed improved binding energies, which ranged from -10.00 to -13.80 kcal/mol. Moreover, the topmost ranking compound 31, with interesting drug-like quality was stable within the protein’s binding cavity during the 10 ns molecular dynamics simulation period. In addition, analysis of its binding pose revealed some unique binding interactions with PPI4K active site residues as the basis for the observed improved binding affinity. Overall, compound 31 appears to be a viable starting point for the development of PPI4K inhibitors with antimalarial activity.

Persistent Pain after Spinal Surgery can be successfully addressed by Spinal Cord Stimulation (SCS). International guidelines strongly recommend that a lead trial be performed before any permanent implantation. Recent clinical data highlight some major limitations of this approach. First, it appears that patient outcomes, WITH OR WITHOUT lead trial, are similar. In contrast, during trialing, infection rate drops drastically within time and can compromise the therapy. Using composite pain assessment experience and previous research, we hypothesized that ma-chine learning models could be robust screening tools and reliable predictors of long-term SCS efficacy. We developed several algorithms including logistic regression, Regularized Logistic Regression (RLR), naive Bayes classifier, artificial neural networks, random forest and gradient boosted trees to test this hypothesis and to perform internal and external validations, the objec-tive being to confront model predictions with lead trial results using a 1-year composite out-come from 103 patients. While almost all models have demonstrated superiority on lead trial-ing, the RLR model appears to represent the best compromise between complexity and inter-pretability in prediction of SCS efficacy. These results underscore the need to use AI based-predictive medicine, as a synergistic mathematical approach, aimed at helping implanters to optimize their clinical choices on daily practice.

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

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

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

As recent history has shown, changing climate not only threatens to increase the spread of known disease, but also the emergence of new and dangerous phenotypes. This occurred most recently with West Nile virus: a virus previously known for mild febrile illness rapidly emerged to become a major cause of mortality and long-term disability throughout the world. As we move forward, into increasingly uncertain times, public health research must begin to incorporate a broader understanding of the determinants of disease emergence – what, how, why, and when. The increasing mainstream availability of high-quality open data and high-powered analytical methods presents promising new opportunities. Up to now, quantitative models of disease outbreak risk have been largely based on just a few key drivers, namely climate and large-scale climatic effects. Such limited assessments, however, often overlook key interacting processes and downstream determinants more likely to drive local manifestation of disease. Such pivotal determinants may include local host abundance, human behavioral variability, and population susceptibility dynamics. The results of such analyses can therefore be misleading in cases where necessary downstream requirements are not fulfilled. It is therefore important to develop models that include climate and higher-level climatic effects alongside the downstream non-climatic factors that ultimately determine individual disease manifestation. Today, few models attempt to comprehensively address such dynamics: up until very recently, the technology simply hasn’t been available. Herein, we present an updated overview of current perspectives on the varying drivers and levels of interactions that drive disease spread. We review the predominant analytical paradigms, discuss their strengths and weaknesses, and highlight promising new analytical solutions. Our focus is on the prediction of arboviruses, particularly West Nile virus, as these diseases represent the pinnacle of epidemiological complexity – solution to which would serve as an effective “gatekeeper”. We present the current state-of-the-art with respect to known drivers of arbovirus outbreak risk and severity, differentially highlighting the impact of climate and non-climatic drivers. The reality of multiple classes of drivers interacting at different geospatial and temporal scales requires advanced new methodologies. We therefore close out by presenting and discussing some promising new applications of AI. Given the reality of accelerating disease risks due to climate change, public health and other related fields must begin the process of updating their research programs to incorporate these much needed, new capabilities.

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

Three finger toxins (3FTX) are a group of peptides that affect multiple receptor types. One group of proteins affected by 3FTX are nicotinic acetylcholine receptors (nAChR). Structural information on how neurotoxins interact with nAChR is limited and are confined to a small group of neurotoxins. Therefore, in silico methods are valuable in understanding the interactions between 3FTX and different nAChR subtypes, but there are no established protocols to model 3FTX – nAChR interactions. We developed a homology modeling and protein docking protocol to address this issue and tested its success on three different systems. First, neurotoxin peptides co-crystallized with acetylcholine binding protein (AChBP) were re-docked to assess whether Rosetta protein – protein docking can reproduce the native poses. Second, experimental data on peptide binding to AChBP was used to test whether the docking protocol can qualitatively distinguish AChBP-binders from non-binders. Finally, we docked eight peptides with known α7 and muscle-type nAChR binding properties to test whether the protocol can explain the differential activities of the peptides at the two receptor subtypes. Overall, our docking protocol succeeded in predicting both qualitative and specific aspects of 3FTX binding to nAChR and shed light on some unknown aspects of 3FTX binding to different receptor subtypes.

Pressure fluctuations beneath hydraulic jumps downstream of Ogee spillways potentially damage stilling basin beds. This paper deals with the extreme pressures underneath free hydraulic jumps along a smooth stilling basin. The experiments were conducted in a laboratory flume. From the probability distribution of measured instantaneous pressures, the pressures with different non-exceedance probabilities (P*a%) could be determined. It was verified that the maximum pressure fluctuations, as well as the negative pressures, are located at the positions closest to the spillway toe. The minimum pressure fluctuations are located at the downstream of hydraulic jumps. It was possible to assess the cumulative curves of P*a% related to the characteristic points along the basin, and different Froude numbers. To benchmark, the results, the dimensionless forms of mean pressures, standard deviations, and pressures with different non-exceedance probabilities were assessed. It was found that an existing methodology can be used to interpret the present data, and pressure distribution in similar conditions, by using a new third-order polynomial relationship for the standard deviation (σ*X) with the determination coefficient (R2) equal to 0.717. It was verified that the new optimized adjustment gives more accurate results for the estimation of the maximum extreme pressures than the minimum extreme pressures.

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

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

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

Power disaggregation aims at determining the appliance-by-appliance electricity consumption leveraging upon a single meter only, which measures the entire power demand. Data-driven procedures based on Factorial Hidden Markov Models have been proven remarkable results on energy disaggregation. Nevertheless, those procedures have various weaknesses: there is a scalability problem as the number of devices to observe raises and the algorithmic complexity of the inference step is severe. DNN architectures, such as Convolutional Neural Networks, have demonstrated to be a viable solution to deal with FHMMs shortcomings. Nonetheless, there are two significant limitations: a complicated and time-consuming training system based on back-propagation has to be employed to estimates the neural architecture parameters, and large amounts of training data covering as many operation conditions as possible need to be collected to attain top performances. In this work, we aim to overcome those limitations by leveraging upon the unique and useful characteristics of the extreme learning machine technique, which is based on a collection of randomly chosen hidden units and analytically defined output weights. Experiment evaluation has been conducted using the UK-DALE corpus. We find that the suggested approach achieves similar performances to recently proposed ANN-based methods and outperforms FHMMs. Besides, our solution generalises well to unseen houses.

In this paper, we introduce the evolve-then-filter (EF) regularization method for reduced order modeling of convection-dominated stochastic systems. The standard Galerkin projection reduced order model (G-ROM) yield numerical oscillations in a convection-dominated regime. The evolve-then-filter reduced order model (EF-ROM) aims at the numerical stabilization of the standard G-ROM, which uses explicit ROM spatial filter to regularize various terms in the reduced order model (ROM). Our numerical results based on a stochastic Burgers equation with linear multiplicative noise. It shows that the EF-ROM is significantly better results than G-ROM.

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

Humans are incapable of judging the temporal order of visual events at brief temporal separations with perfect accuracy. Their performance---which is of much interest in visual cognition and attention research---can be measured with the temporal-order judgment task, which typically produces S-shaped psychometric functions. Occasionally, researchers reported plateaus within these functions, and some theories predict such deviation from the basic S shape. However, the centers of the psychometric functions result from the weakest performance at the most difficult presentations and therefore fluctuate strongly, leaving existence and exact shapes of plateaus unclear. This study set out to investigate whether plateaus disappear if the data accuracy is enhanced, or if we are ``stuck on a plateau'', or rather with it. For this purpose, highly accurate data were assessed by model-based analysis. The existence of plateaus is confidently confirmed and two plausible mechanisms derived from very different models are presented. Neither model, however, performs well in the presence of a strong attention manipulation, and model comparison remains unclear on the question which of the models describes the data best. Nevertheless, the present study includes the highest accuracy in visual TOJ data and the most explicit models of plateaus in TOJ studied so far.

Building information modeling (BIM) is the digital representation of physical and functional characteristics (such as geometry, spatial relationship, and geographic information) of a facility to support decisions during its life cycle. BIM has been extended beyond 3D geometrical representations in recent years, and now includes time as a fourth dimension and cost as a fifth dimension, as well as such other applications as virtual reality and augmented reality. The Internet of Things (IoT) has been increasingly applied in various products (smart homes, wearables) to enhance work productivity, living comfort, and entertainment. However, research addressing the integration of these two technologies (BIM and IoT) is still very limited, and has focused exclusively on the automatic transmission of sensor information to BIM models. This paper describes an attempt to represent and visualize sensor data in BIM with multiple perspectives in order to support complex decisions requiring interdisciplinary information. The study uses a university campus as an example and includes several scenarios, such as an auditorium with a dispersed audience and energy saving options for rooms with different functions (mechanical/electric equipment, classrooms, and laboratory). This paper also discusses the design of a common platform allowing communication among sensors with different protocols (Arduino, Raspberry Pi), the use of Dynamo to accept sensor data as input and automatically redraw visualized information in BIM, and how visualization may help in making energy-saving management decisions.

Finely ground glass has the potential for pozzolanic reactivity and can serve as a supplementary cementitious material (SCM). Glass reaction kinetics depends on both temperature and glass composition. Microstructural modeling is a helpful approach to get better understanding of cement hydration and microstructure development. Mechanical and performance properties of concrete are directly related to the development of concrete microstructure, which is the consequence of progress in cement hydration. This study initially provides a comprehensive background about cement hydration process and microstructural modeling of the hydration. It then utilizes results of experimental studies, i.e. isothermal calorimetry and thermogravimetric analysis, to find kinetics equation parameters called “Avrami Constants”. For the first time, these constants were found for three main components of cement, i.e. C₃S, C₂S, and C₃A, and also for glass particles smaller than 25 µm. Although modeling of cement hydration and cementitious systems containing single glass particles showed promising results, simulations of combined glass types and sizes showed that more work on microstructural models is needed to properly model the reactivity of mixed glass particle systems.

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

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

Studies performed at single-cell resolution have demonstrated the physiological significance of cell-to-cell variability. Various types of mathematical models and systems analyses of biological networks have further been used to gain a better understanding of the sources and regulatory mechanisms of such variability. In this work, we present a novel sensitivity analysis method, called molecular density function perturbation (MDFP), for the dynamical analysis of cellular heterogeneity. The proposed analysis is based on introducing perturbations to the density or distribution function of the cellular state variables at specific time points, and quantifying how such perturbations affect the state distribution at later time points. We applied the MDFP analysis to a model of signal transduction pathway involved in TRAIL (tumor necrosis factor-related apoptosis-inducing ligand)-induced apoptosis in HeLa cells. The MDFP analysis showed that caspase-8 activation regulates the timing of the switch-like increase of cPARP (cleaved poly(ADP-ribose) polymerase), an indicator of apoptosis. Meanwhile, the cell-to-cell variability in the commitment to apoptosis depended on mitochondrial outer membrane permeabilization (MOMP) and events following MOMP, including the release of Smac (second mitochondria-derived activator of caspases) and cytochrome-C from mitochondria, the inhibition of XIAP (X-linked inhibitor of apoptosis) by Smac and the formation of apoptosome.

Liquid propellants are fast becoming attractive for pulsed plasma thrusters due to their high efficiency and low contamination issues. However, the complete plasma interaction and acceleration processes are still not very clear. Present paper develops a multi-layer numerical model for liquid propellant PPTs. The model proposes a possible acceleration mechanism for liquid fed pulsed plasma thrusters and accurately predicts the propellant utilization capabilities and estimations for the fraction of propellant gas that is completely ionized and accelerated to high exit velocities. Validation of the numerical model and the assumptions on which the model is based on is achieved by comparing the experimental results from two different liquid-fed thrusters developed at the University of Tokyo. Results show 50% of liquid propellant injected is completely ionized and accelerated to high exit velocities (> 50Km/s), whereas, neutral gas contribute to only 7% of the total specific impulse and accelerated to low exit velocity (< 4Km/s). The model shows an accuracy up-to 92%. Optimization methods are briefly discussed to ensure efficient propellant utilization and performance. The model acts as a tool to understand the background physics and to optimize the performance for liquid-fed PPTs.

As our understanding of the thalamocortical system deepens, the questions we face become more complex. Their investigation requires the adoption of novel experimental approaches complemented with increasingly sophisticated computational modeling. In this review, we take stock of current data and knowledge about the circuitry of the somatosensory thalamocortical loop in rodents, discussing common principles across modalities and species whenever appropriate. We review the different levels of organization, including the cells, synapses, neuroanatomy, and network connectivity. We provide a complete overview of this system that should be accessible for newcomers to this field while nevertheless being comprehensive enough to serve as a reference for seasoned neuroscientists and computational modelers studying the thalamocortical system. We further highlight key gaps in data and knowledge that constitute pressing targets for future experimental work. Filling these gaps would provide invaluable information for systematically unveiling how this system supports behavioral and cognitive processes.

This comprehensive study looks at how operational conditions affect the performance of a novel seven-channel titania ceramic ultrafiltration membrane for the treatment of produced water. A Full factorial design experiment (23) was conducted to study the effect of the cross-flow operating factors on the membrane permeate flux decline and the overall permeate volume. Eleven experimental runs were performed for three important process operating variables: Transmembrane Pressure (TMP), Crossflow Velocity (CFV), and Filtration Time (FT). Steady final membrane fluxes and permeate volumes were recorded for each experimental run. Under the optimized conditions (1.5 bar, 1 m/s, and 2 hours), the membrane performance index demonstrated an oil rejection rate of 99%, a flux of 297 liters/m2·hr (LMH), a 38% overall initial flux decline, and a total permeate volume of 8.14 L. The regression models used for the steady-state membrane permeate flux decline and overall permeate volume led to the highest goodness of fit to the experimental data with a correlation coefficient of 0.999. A Multiple Linear Regression method and an Artificial Neural Network approach were also employed to model the experimental membrane permeate flux decline and analyze the impact of the operating conditions on membrane performance. The predictions of the Gaussian regression and the Levenberg-Marquardt backpropagation method were validated with a determination coefficient of 99 % and a mean square error of 0.07.

The paper presents the final results from the research project “Urban Abacus of Building Energy performances (Abaco Urbano Energeticodegli Edifci – AUREE)” aimed at supporting the renovation and energy efficiency enhancement of urban building heritage financed by the “Ricerca Sistema Elettrico (MISE) program”. The crux of AUREE project is a Web – GIS GeoBlog portal with customized semantic dashboards aimed at sharing information on urban built environment and promoting the participation of local stakeholders to its improvement. As the latest development of this research, a workflow integrating the AUREE portal with BIM authoring and an open source IoT platform has been implemented and applied to an experimental case study concerning a public building in Carbonia (Italy). The headquarters of the sustainable energy research center Sotacarbo was selected as case study. The presented results proved that it was possible to create an open system, which could be easily consulted by "non-expert" users as well, to make available real-time monitoring data obtained from IoT sensors measuring the energy consumption, the indoor environmental conditions and the usage profiles of public buildings. The proposed open system could also be suitable to be later used as an effective tool to support the rising “energy communities”.

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

The mixing of terrestrial groundwater and seawater creates dynamic reaction zones in intertidal areas, where land-derived Fe(II) is oxidized to Fe(III) and then precipitates as Fe hydroxides at groundwater-seawater interface. These hydrogeochemical processes contribute to the formation of iron curtains beneath soil surface, which in turn influences the evolution of coastal aquifers. This paper provides a comprehensive review of physical and geochemical processes at field scale in coastal areas, explores the impact of mineral precipitation on pore structure at pore scale, and synthesizes reactive transport modeling (RTM) approaches for illustrating continuum-scale soil physio-chemical parameters during the evolution of porous media. Upon this review, knowledge gaps and research needs are identified. Additionally, challenges and opportunities are presented. Therefore, the incorporation of observational data into a comprehensive physico-mathematical model becomes imperative for capturing the pore-scale processes in porous media and their influence on groundwater flow and solute transport at large scales. Furthermore, a synergistic approach integrating pore-scale modeling and non-invasive imaging can provide detailed insights into intricate fluid-pore-solid interactions for future studies, as well as facilitate the development of regional engineering-scale models and physio-chemical coupled models with diverse applications in submarine science and engineering.

Malaria is a prevalent disease in several tropical and subtropical regions, including Brazil, where remains a significant public health concern. Despite control efforts, reintroduction of endemics in areas without cases for decades poses a challenge. To assess factors influencing ma-laria risk, regional outbreak cluster analysis and a spatio-temporal models were developed for the Brazilian Amazon, incorporating climate, land use/cover interactions, endemic bird, and amphibian richness. Results showed that amphibian, bird richness and endemism correlated with a reduction in malaria risk. Presence of forest had a positive effect on risk, but it depended on its juxtaposition with anthropic land uses. Biodiversity and landscape composition, rather than forest formation presence alone, modulated malaria risk in the period. Areas with low en-demic species diversity and high human activity, predominantly anthropogenic landscapes posed high malaria risk. This study underscores the importance of considering the broader eco-logical context in malaria control efforts.

A major public health emergency has been created by the COVID-19 pandemic, which is brought on by the SARS-CoV-2 virus. Due to its crucial function in viral replication, the primary protease (Mpro) of the virus is a prime target for therapeutic research. In this study, we used molecular modeling and molecular dynamics simulations to examine the potential therapeutic uses of Mpro inhibitors for the treatment of COVID-19. Using induced fit docking and molecular dynamics simulations, we confirmed the top compounds after screening a library of compounds for their ability to bind to Mpro. Simulation interaction diagrams were used to investigate protein-ligand interactions, and MM-GBSA was used to determine binding energies. The Swiss ADME server was used to predict ADME properties. According to our findings, numerous substances are strong COVID-19 medication candidates since they have excellent ADME features and high binding affinities. This work serves as a foundation for additional experimental research and drug development initiatives aimed at Mpro.

The epithelial-mesenchymal (E/M) hybrid state has emerged as an important mediator of elements of cancer progression, facilitated by epithelial mesenchymal plasticity (EMP). We review here evidence for the presence, prognostic significance, and therapeutic potential of the E/M hybrid state in carcinoma. We further assess modelling predictions and validation studies to demonstrate stabilised E/M hybrid states along the spectrum of EMP, as well as computational approaches for characterising and quantifying EMP phenotypes, with particular attention to the emerging realm of single-cell approaches through RNA sequencing and protein-based techniques.

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

We propose that the short−term memory (STM), when processing a sentence, uses two uncorrelated processing units in series. The clues for conjecturing this model emerge from studying many novels of the Italian and English Literatures. This simple model, referring to the surface of language, seems to describe mathematically the input-output characteristics of a complex mental process involved in a reading/writing a sentence. We show that there are no significant mathematical/statistical differences between the two literary corpora by considering deep-language variables and linguistic communication channels, therefore, the surface mathematical structure of alphabetical languages is very deeply rooted in human mind, independently of the language used. The first processing unit is linked to the number of words between two contiguous interpunctions, variable Ip, approximately ranging in Miller’s 7±2 range; the second unit is linked to the number of Ip’s contained in a sentence, variable MF, ranging approximately from 1 to 6. The overall capacity required to process fully of a sentence ranges from 8.3 to 61.23 words, values that can be converted into time by assuming a reading speed, giving the range 2.64~19.54 seconds for fast-reading and 5.3~30.1 seconds for average reader. Since a sentence conveys meaning, the surface features we have found might be the starting point to arrive at an Information Theory that includes meaning.

Ethylene Oxide (EtO) is a colorless, flammable gas at room temperature, produced by the catalytic oxidation of ethylene. EtO is widely used by medical sterilization facilities to clean medical supplies and equipment. Recent epidemiological studies showed that EtO is a more potent carcinogen than previously documented, leading the Environmental Protection Agency (EPA) to update, in December 2016, the inhalation unit risk estimate for EtO. This resulted in the identification of EtO as a potential health concern in several areas across the US, including the state of Utah. The geography surrounding Salt Lake Valley creates a bowl; ideal for collecting air pollution emissions. The region often experiences inversion episodes which inhibit vertical mixing and cause an accumulation of air pollutants, leading to unhealthy pollution levels. Using the EPA's dispersion modeling software, AERMOD, this study estimated EtO concentrations through facility stack and fugitive emissions modeling results. These values were compared with those of canister-based concentrations from ambient air samples taken near a medical device sterilization facility in the Salt Lake Valley. Stainless steel, whole-air passivated canisters were used to collect 24-hour ambient concentration samples of EtO. Eight locations surrounding a Salt Lake Valley medical device sterilization facility and four background sites were chosen to measure the ambient concentrations. Accounting for potential atmospheric impacts on EtO, measurements were sampled in winter 2022 (January-March) and summer 2022 (July-September). The modeled EtO concentrations were adjusted to account for background values associated with the winter or summer data. Then the two methodologies were compared using a Wilcoxon Sign-ranked, paired test. The statistical analysis resulted in six of the eight sample locations surrounding the sterilization facility being significantly different when comparing canister-based measurements of ambient EtO to modeled estimates. Canister-based measurements taken at sites one, three, and four were statistically greater than the modeled estimates, while sites two, five, and seven were statistically less than the modeled estimates. Also, the summer background value calculated was almost 2.5 times greater than the winter. The results do not suggest whether one method is more or less conservative than the other. In conclusion, the five of the closest sites and site seven were statistically different when comparing measured and modeled ambient concentrations of EtO. The comparison results do not clearly indicate if a correction factor could be derived for future human exposure to cancer risk assessment modeling. However, it is reasonable that the closer to the sterilization facility, the more total EtO exposure will be realized.

Biosensors detect specific bio-analytes by generating a measurable signal from the interaction between the sensing element and the target molecule. Surface acoustic wave (SAW) biosensors offer unique advantages due to their high sensitivity, real-time response capability, and label-free detection. The typical SAW modes are the Rayleigh mode and the shear-horizontal mode. Both present pros and cons for biosensing applications and generally need different substrates and device geometries to be efficiently generated. This study investigates and characterizes ultra-high-frequency (UHF-) SAW resonator biosensors. It reveals the simultaneous presence of the two typical SAW modes, clearly separated in frequency, called slow and fast. The two modes are studied by numerical simulations and biosensing experiments with the glial-fibrillary-acidic-protein (GFAP) biomarker. The slow mode is generally more sensitive to changes in surface properties, such as temperature and mass changes, by a factor of about 1.4 with respect to the fast mode.

Diffusion Models (DMs) are probabilistic models that create realistic samples by simulating the diffusion process, gradually adding and removing noise from data. These models have gained popularity in domains such as image processing, speech synthesis, and natural language processing due to their ability to produce high-quality samples. As DMs are being adopted in various domains, existing literature reviews that often focus on specific areas like computer vision or medical imaging may not serve a broader audience across multiple fields. Therefore, this review presents a comprehensive overview of DMs, covering their theoretical foundations and algorithmic innovations. We highlight their applications in diverse areas such as media quality, authenticity, synthesis, image transformation, healthcare, and more. By consolidating current knowledge and identifying emerging trends, this review aims to facilitate a deeper understanding and broader adoption of DMs and provide guidelines for future researchers and practitioners across diverse disciplines.

The concept of Digital Twins has been in the field for a long time, constantly challenging the specification, modeling, design, implementation, and exploitation of complex cyber-physical systems. Despite the various foundations, standards, and platforms in Systems Engineering, there are ongoing challenges with Verification and Validation methodology. This study aims to establish a generic framework that addresses the various aspects of Digital Twinning. The multifaceted nature of the problem requires raising the abstraction level in both the Real (Actual) and Virtual domains, effective dissemination of information resources, and a design inspired by verification and validation. The proposed framework combines the Quintuple Helix model with the Problem and Operational Domains of a Real (Actual) Twin, the Solution and Implementation Domains of a Virtual Twin, and the Execution Domain as the bridge that links them. Verification and Validation dimensions follow the Meta Object Facility abstraction layers (Instance, Model, Meta-model, and Meta-meta-model) mapping over five Helices. Embedding the complexity reduction mechanisms in the proposed framework builds a suite for extendible and verifiable digital twinning in simulation and real-time scenarios.

In today’s data-driven marketing landscape, accurately predicting customer responses to marketing campaigns is critical for optimizing engagement and return on investment (ROI). This study utilizes a Decision Tree (DT) model to identify key factors influencing customer behaviour. Initially, the model achieved a high accuracy of 87.3% but struggled with precision and recall due to class imbalance. By applying a resampling technique, the model’s performance improved significantly, with a recall increase from 44% to 83.1% and an F1-score improvement from 49% to 74.2%. Key influential features identified include how recently a customer made a purchase, the number of days they have been a customer, and the number of previous campaigns they responded to. The study highlights the DT model’s interpretability, making it a practical tool for marketing professionals to improve campaign effectiveness and customer targeting.

One of the most common shoulder injuries is rotator cuff tear (RCT). The risk of RCTs increases with age, with a prevalence of 9.7% in those under 20 years old to 62% in individuals aged 80 and older. In this article, we present first Microwave Digital Twin Prototype (MDTP) for RCT detection, based on machine learning (ML) and advanced numerical modeling of the system. We generate a generalizable dataset of scattering parameters through flexible numerical modeling, in order to bypass real-world data collection challenges. This involves solving the linear system in result of finite element discretization of the forward problem with use of domain decomposition method to accelerate the computations. We use support vector machine (SVM) to differentiate between injured and healthy shoulder models. This approach is more efficient in terms of required memory resources and computing time compared to the traditional imaging methods.

In metal additive manufacturing (AM), precise temperature field prediction is crucial for process monitoring, automation, control, and optimization. Traditional methods, primarily offline and data-driven, struggle with adapting to real-time changes and new process scenarios, which limits their applicability for effective AM process control. To address these challenges, this paper introduces the first physics-informed (PI) online learning framework specifically designed for temperature prediction in metal AM. Utilizing a physics-informed neural network (PINN), this framework integrates a neural network architecture with physics-informed inputs and loss functions. Pretrained on a known process to establish a baseline, the PINN transitions to an online learning phase, dynamically updating its weights in response to new, unseen data. This adaptation allows the model to continuously refine its predictions in real-time. By integrating physics-informed components, the PINN leverages prior knowledge about the manufacturing processes, enabling rapid adjustments to process parameters, geometries, deposition patterns, and materials. Empirical results confirm the robust performance of this PI online learning framework in accurately predicting temperature fields for unseen processes across various conditions. It notably surpasses traditional data-driven models, especially in critical areas like the Heat Affected Zone (HAZ) and melt pool. The PINN’s use of physical laws and prior knowledge not only provides a significant advantage over conventional models but also ensures more accurate predictions under diverse conditions. Furthermore, our analysis of key hyper-parameters—learning rate and batch size of the online learning phase—highlights their roles in optimizing the learning process and enhancing the framework’s overall effectiveness. This approach demonstrates significant potential to improve the online control and optimization of metal AM processes.

This study advances the field of infectious disease forecasting by introducing a novel approach to micro-level contact modeling, leveraging human movement patterns to generate realistic temporal dynamic networks. Through the incorporation of human mobility models and parameter tuning, this research presents an innovative method for simulating micro-level encounters that closely mirror infection dynamics within confined spaces. Central to our methodology is the application of Bayesian optimization for parameter selection, which refines our models to emulate both the properties of real-world infection curves and the characteristics of network properties. By focusing on the distinct aspects of infection propagation within confined spaces, our approach significantly improves the realism of temporal-dynamic contact networks, offering a powerful tool for assessing the impact of specific locations on pandemic dynamics. The resulting models shed light on the role of spatial encounters in disease spread and strengthen the capability to forecast and respond to infectious disease outbreaks. This work not only contributes to the scientific understanding of micro-level transmission patterns but also offers practical insights for public health strategies and digital contact tracing efforts, aiming at more effective intervention and containment measures during pandemics.

Elevated blood glucose levels, known as glycemia, play a significant role in sudden cardiac arrest, often resulting in sudden cardiac death, particularly among those with diabetes. Understanding this link has been a challenge for healthcare professionals, leading many research groups to investigate the relationship between blood glucose levels and cardiac electrical activity. Our hypothesis suggests that glucose-sensing mechanisms in cardiac tissue could clarify this connection. To explore this, we adapted a single-compartment, in-silico model of the human atrial node's action potential. We incorporated glucose-sensing mechanisms with voltage-gated sodium ion channels using ordinary differential equations. Parameters for the model were based on existing experimental studies to mimic the impact of glucose levels on atrial node action potential firing. Simulations using voltage clamp and current clamp techniques showed that elevated glucose levels decreased sodium ion channel currents, leading to a reduction in the sinoatrial node action potential frequency. In summary, our model provides a cellular-level understanding of how high glucose levels can lead to bradycardia and sudden cardiac death.

Heart failure is associated with a significant mortality rate, and an elevated prevalence of this condition has been noted among hypertensive patients. The identification of predictive factors for heart failure progression in hypertensive individuals is crucial for early intervention and improved patient outcomes. In this study, we aimed to identify these predictive factors utilizing medical history data for hypertension patients. Specifically, we focused solely on utilizing medical data preceding the diagnosis of hypertension to enable patients to anticipate the onset of potential heart failure at the time of hypertension diagnosis. Age-specific and ICD system-specific predictive factors were identified utilizing the MIMIC-IV database through the application of two analytical approaches: chi-square tests and XGBoost modeling. Our findings reveal 21 overall predictive factors, encompassing conditions such as atrial fibrillation, the use of anticoagulants, kidney failure, obstructive pulmonary disease, and anemia. These factors were assessed through a comprehensive review of the existing literature. We anticipate that the results will offer valuable insights for the risk assessment of heart failure in hypertensive patients.

The “circular bioeconomy” offers numerous opportunities for the health, cosmetic, and nutrition sectors through the potential reuse of Castanea sativa by-products. This abundant and sustainable resource provides valuable bioactive secondary metabolites with antioxidants and anti-inflammatory properties. The transformation of these by-products into high-value products for human health can contribute to sustainable economic growth and reduce the environmental impact of traditional waste disposal practices, thus creating added value from previously underutilized resources. In the present study, we investigated the antioxidant capacity, phytochemical composition and in vitro antioxidant and anti-inflammatory activity of C. sativa burrs (CSB) aqueous extract. The spectrophotometric study yielded optimal total phenolic content (TPC) values, along with significant antioxidant and anti-radical properties. The utilization of UPLC-MS-MS techniques for phytochemical investigation resulted in the identification of a total of 56 metabolites, providing confirmation of the presence of phenolic compounds in CSB. In addition, CSB significantly downregulated pro-inflammatory mediators in LPS-stimulated RAW 264.7 macrophage cells without significant cell toxicity.

This work presents a heat transfer and boiling model that computes the evolution of the temperature field in a representative steel workpiece quenched from 850 or 930°C by immersion in water flowing at average velocities of 0.2 or 0.6 m/s, respectively. Under these conditions, all three boiling regimes were present during cooling: stable vapor film, nucleate boiling, and single-phase convection. The model was based on the numerical solution of the heat conduction equation coupled to the solution of the energy and momentum equations for water. The mixture phase approach was adopted using the Lee model to compute the rates of water evaporation-condensation. Heat flux at the wall was calculated for all regimes using a single semi-mechanistic model. Therefore, evolution of boiling regimes at every position on the wall surface was automatically determined. Predictions were validated using laboratory results, namely: a) Videorecording the upward motion of the wetting front along the workpiece wall surface, and b) cooling curves obtained with embedded thermocouples in the steel probe. Wall heat flux calculations were used to determine the importance of the simultaneous presence of all three boiling regimes on the heat flux distribution. It was found that this simultaneous presence leads to high heat flux variations that should be avoided in production lines.

The presence of the mite, Varroa destructor, requires the use of acaricide treatments in most honeybee colonies. Amitraz is one of the most common acaricide substances used by beekeepers. Some Varroa mite populations have developed resistance to amitraz leading to a loss of efficacy of amitraz-based treatments. Two products, Apivar and Supatraz were applied in the same apiary. Both treatments are amitraz-based but have a different galenics. Thanks to field data, a dynamic model was used to simulate the action of Apivar and Supatraz on the mite population. We consider two parameters to compare the products: daily mortality rate and treatment duration. In the field, the percentage of efficacy between the two products was not significantly different but Supatraz kills mite faster and decreases 90% of the mite infestation in 28.4 days compared to 50.9 days for Apivar. Thanks to modelling, we showed the daily impact of the two different products on mite population. Supatraz has a higher daily mortality rate during the first two weeks than Apivar. Supatraz requires a lower efficacy to stabilize the varroa mite population due to its faster release of active ingredient than Apivar, needing a shorter period to achieve the same result. Depending on the model, Supatraz conserve a good efficacy for low resistant mites but not for high resistant mites. These results show that the comparison of the efficacy of two products with different characteristics (duration of treatment and daily mortality rate) should be analyzed with caution.

СrAss-like phages play an important role in maintaining ecological balance in the human intestine microbiome. However, their lifestyle and genetic diversity are still insufficiently studied. In this study, a novel CrAssE-Sib phage genome belonging to the epsilon сrAss-like phage genomes was found. Detailed analysis indicated that CrAssE-Sib encodes unusual proteins – DNA primase, virion RNA polymerase, prophage antirepressor, and transcriptional repressor, as well as reverse transcriptase (RT) and receptor binding protein (RBP) that are part of diversity-generating retroelement (DGR). Comparative analysis showed that all epsilon сrAss-like phages are divided into two putative genera, which were proposed to name Epsilonunovirus and Epsilonduovirus; CrAssE-Sib belongs to the first of them. RT from CrAssE-Sib and several Epsilonunoviruses contains a specific motif in its fourth domain that was not previously found in RTs from phage and bacterial DGRs. In addition, RBP from CrAssE-Sib and all Epsilonunoviruses has a unique structure. The presence of the conservative prophage repressor and anti–repressors that belong to the lysogenic-to-lytic cycle switches indicate that CrAssE-Sib and other Epsilonunoviruses could be temperate. Epsilon сrAss-like phage substantially differ from other crAss-like phages, including zeta сrAss-like phages. This fact indicates the need to isolate these phages into a separate family.

Accurately glacier mapping is crucial for understanding climate change impacts, but existing efforts may be biased due to overlooking spatial autocorrelation during map validation. To address this, we compared several widely used machine learning algorithms as gradient boosting machines (GBM), k-nearest neighbor (KNN) and random forest (RF) with parametric logistic regression (GLM) and an unsupervised remote sensing-based method (NDSI) for mapping Peru's glacier regions in a thoughtful experimental setup. Spatial and non-spatial cross-validation methods were used to evaluate model’s performance and compared with a fully independent test set. Performance differences of up to 18% were found between bias-reduced (spatial) and overoptimistic (non-spatial) cross-validation results when compared to independent test set, emphasizing the need to consider spatial autocorrelation when using machine learning for glacier mapping. K-nearest neighbors (KNN) was the overall best model across regions consistently demonstrating the highest performance followed by logistic regression (LR) and gradient boosting machines (GBM). Our novel validation approach, accounting for spatial characteristics, provides valuable insights for glacier mapping studies and future efforts on glacier retreat monitoring. Incorporating this approach improves the reliability of glacier mapping, guiding future national-level initiatives.

The fourth industrial revolution has resulted in the digitalization of projects and operations across all sectors. Accordingly, efforts are being made to utilize advanced technologies to improve the energy efficiency of the building sector. This study has reviewed the current application and limitations of cutting-edge technologies in this regard. An overview of the use of the Internet of Things (IoT), artificial intelligence (AI), digital twin (DT), and building information modeling (BIM) for energy efficiency of buildings has been provided. It has been found that the use of Industry 4.0 technologies, during the construction and operational phase of buildings, has a great potential to reduce energy consumption and emissions of the sector. This study may help stakeholders of the built environment to understand the role of industry 4.0 tools for energy efficiency of the sector.

For equivalent modeling of mixed wind farms (WFs), existing clustering indicators cannot consider the complex coupling characteristics between different types of wind turbines (WTs). This paper proposes a refined equivalent modeling method for mixed WFs based on artificial intelligence technology. Firstly, the electromechanical transient performance of mixed WFs is analyzed. The WT type, wind speed and direction, and voltage dip are considered the main factors affecting the external dynamic response of mixed WFs. Secondly, the equivalent node model is established, including the selection of independent and dependent variables. Then, the multiple artificial neural networks (ANNs) are trained one by one based on sample data, to explore the nonlinear relationship between the dependent variables and the independent variables. Finally, the electromechanical transient simulations of the power systems with a mixed WF is carried out by using the MATLAB platform. Simulation results show that the proposed model can reflect the external characteristics of the mixed WF in different wind scenarios and voltage dips.

This paper presents a new method of process parameters optimization, adequate for 3D printing of PLA (Polylactic Acid) components. The authors developed a new Hybrid Manufacturing Equipment (HME), suitable for producing complex parts made from a biodegradable thermoplastic polymer, for environmental sustainability. Our new HME equipment is producing PLA parts by both additive and subtractive techniques, with the aim of obtaining accurate PLA components with a good surface quality. A design of experiments has been applied for optimization purposes. The following manufacturing parameters were analyzed: rotation of the spindle, cutting depth, feed rate, layer thickness, nozzle speed, and surface roughness. Linear regression models and neural network models were developed to improve and predict the surface roughness of the manufactured parts. A new test part was designed and manufactured from PLA, to validate the new mathematical models, which can now be applied for producing complex parts made from polymer materials.

When in operation, the 25 kV traction networks may encounter the contact wire short circuits to rails or ground. The short-circuit conditions cause high-intensity magnetic fields (EMFs), which, despite the short duration of exposure, can negatively affect electronic devices and lead to significant induced voltage on adjacent power lines. There can be two main types of emergency conditions in 25 kV traction networks: the contact wire short circuit to the rail, when the supports are grounded to the rail track; and the contact wire short circuit to the ground in sections with supports disconnected from the rails. A three-dimensional electromagnetic field near a metal support when a short-circuit current flows through it is characterized by a complex spatial structure, which significantly complicates the calculations of intensities. The paper discusses the results of computer modeling aimed at determining the EMF intensity in the described emergencies. The objects involved in modeling were represented by segments of thin wires to calculate the electric charge distribution and find out the EMF intensity. This approach is implemented in the Fazonord software. The modeling results have shown that EMF intensities near the support grow significantly; their levels decrease noticeably as one moves away from the support; and that the three-dimensional electromagnetic field under the considered emergency conditions has a complex spatial structure.

The potential impacts of climate change on the distribution of tuna in Pacific Island Countries’ Exclusive Economic Zones have yet to be investigated rigorously, and so their persistence and abundance in these areas remain uncertain. Here, we estimate optimal fisheries areas for four tuna species; Albacore (Thunnus alalunga), Bigeye (Thunnus obesus), Skipjack (Katsuwonus pelamis), and Yellowfin (Thunnus albacares). We consider different climate change scenarios, RCP 2.6, RCP 4.5, RCP 6.0 and RCP 8.5, within a set of tuna catch records in the Exclusive Economic Zone of Tonga. Using environmental and CPUE datasets, species distribution modelling estimated and predicted these fisheries areas in the current and future climatic scenarios. Our projections indicate an expansion in area and a shift of productive areas to the southern part of this Exclusive Economic Zone of Tonga. This is an indication that future climatic scenarios might be suitable for the species under study however, changes in trophic layers, ocean currents and ocean chemistry might alter this finding. Information provided here will be relevant in planning future national actions towards proper management of these species.

This study provides, to our knowledge, the first detailed analysis of how surface oil modifies air-sea interaction in a two-way coupled model, i.e., the coupled-ocean-atmosphere-wave-sediment-transport (COAWST) model modified to account for oil-related changes to air-sea fluxes. This study investigates the effects of oil on surface roughness, surface wind, surface and near surface temperature differences, and boundary-layer stability, and how those conditions ultimately affect surface stress. We first conducted twin coupled modeling simulations with and without the influence of oil over the Deepwater Horizon (DWH) oil spill period (April 21 to May 5, 2010) in the Gulf of Mexico. Then we compared the results by using a modularized flux model with parameterizations selected to match those selected in the coupled model adapted to either ignore or account for different atmospheric/oceanic processes in calculating surface stress. When non-oil inputs to the bulk formula treated as unchanged by oil, the surface stress changes are always negative due to oil-related damping of surface roughness alone. However, the oil-related changes to 10-m wind speed and boundary-layer stability are found to play a dominant role in surface stress changes relative to those due to the oil-related surface roughness changes, highlighting that most of the changes in surface stress are due to the oil-related changes in wind speed and boundary-layer stability. Finally, the oil-related changes to surface stress due to the combined oil-related changes in surface roughness, surface wind, and boundary-layer stability are not large enough to have a major impact on the surface current and surface oil transport, indicating that the feedbacks from the surface oil to the surface oil movement itself are minor for forecasting the surface oil transport unless the fractional oil coverage is much larger than found in this study.

Bayesian techniques for engineering problems, that rely on Gaussian process (GP) regression, are known for their ability to quantify epistemic and aleatory uncertainties and for being data efficient. The mathematical elegance of applying these methods usually comes at a high computational cost when compared to deterministic and empirical Bayesian methods. Furthermore, using these methods becomes practically infeasible in scenarios characterized by a large number of inputs and thousands of training data. The focus of this work is on enhancing Gaussian Process-based metamodeling and model calibration tasks, when the size of the training datasets is significantly large. To achieve this goal, we employ a stochastic variational inference algorithm that enables rapid statistical learning of the calibration parameters and hyperparameter tuning, while retaining the rigor of Bayesian inference. The numerical performance of the algorithm is demonstrated on multiple metamodeling and model calibration problems with thousands of training data.

Ultrasonic measurements are used in civil engineering for structural health monitoring of concrete infrastructures. The late portion of the ultrasonic wavefield, the coda, is sensitive to small changes in the elastic moduli of the material. Coda Wave Interferometry (CWI) correlates these small changes in the coda with the wavefield recorded in intact, or unperturbed, concrete specimen to reveal the amount of velocity change that occurred. CWI has the potential to detect localised damages and global velocity reductions alike. In this study, the sensitivity of CWI to different types of concrete mesostructures and their damage levels is investigated numerically. Realistic numerical concrete models of concrete specimen are generated and damage evolution is simulated using the discrete element method. In the virtual concrete lab, the simulated ultrasonic wavefield is propagated from one transducer using a realistic source signal and recorded at a second transducer. Different damage scenarios reveal a different slope in the decorrelation of waveforms with the observed reduction in velocities in the material. Finally, the impact and possible generalizations of the findings are discussed and recommendations are given for a potential application of CWI in concrete at structural scale.

An extension of the models used to generate fractal traffic flows is presented by means of the formulation of a model that considers the use of one-dimensional chaotic maps. Based on the disaggregation of the temporal series generated by the model, a valid explanation of behavior of the values of Hurst exponent is proposed and the feasibility of their control from the parameters of the proposed model is shown.

The Pannonian basin major heat system in Central Europe. Their peripheral basins like the East Slovakian basin is a example of a geothermal structure with a linear directed heat flow ranging from 90 to 100 mW /m2 from west to east. However, the use of the geothermal source is limited by several critical tectono-geologic factors: (a) tectonics, and the associated disintegration of the aquifer block by multiple deformations during the pre-Paleogene mainly Miocene period. The main discontinuities of NW-SE and N-S direction negatively affect the permeability of the environment. On the contrary, for utilization are important the secondary minor NE-SW dilatation open fractures which have developed by sinistral transtension on N–S faults and accelerated normal movements to the southeast in the present. (b) hydrogeological conditions, the geothermal structure accommodated three water types, namely Na-HCO3 with 10.9 g.l-1 mineralization (in the north), the Ca-Mg-HCO3 with 0.5 – 4.5 g.l-1 mineralization (in the west), and Na-Cl water type containing 26.8-33.4 g.l-1 (in the southwest) mineralization. The chemical composition is influenced by the Middle Triassic dolomites aquifer as well as by infiltration of saline solutions and meteoric waters along open fractures/faults. (c) geothermally anomalous heat 123 – 129 °C close to volcanic chain with 170 l/s total flow seems to be the perspective for heat production.

Despite recent developments in monitoring and visualizing construction progress, the data exchange between construction jobsite and office lacks automation and real-time recording. To address this issue, a near real-time construction work inspection system called iVR is proposed; this system integrates 3D scanning, extended reality, and visual programming to visualize interactive onsite inspection for indoor activities and provide numeric data. iVR comprises five modules: iVR-location finder (finding laser scanner located in the construction site) iVR-scan (capture point cloud data of jobsite indoor activity), iVR-prepare (processes and convert 3D scan data into a 3D model), iVR-inspect (conduct immersive visual reality inspection in construction office), and iVR-feedback (visualize inspection feedback from jobsite using augmented reality). An experimental lab test is conducted to validate the applicability of iVR process; it successfully exchanges required information between construction jobsite and office in a specific time. This system is expected to assist Engineers and workers in quality assessment, progress assessments, and decision-making which can realize a productive and practical communication platform, unlike conventional monitoring or data capturing, processing, and storage methods, which involve storage, compatibility, and time-consumption issues.

In a computing context, cybersecurity is undergoing massive shifts in technology and its operations in recent days, and data science is driving the change. Extracting security incident patterns or insights from cybersecurity data and building corresponding data-driven model, is the key to make a security system automated and intelligent. To understand and analyze the actual phenomena with data, various scientific methods, machine learning techniques, processes, and systems are used, which is commonly known as data science. In this paper, we focus and briefly discuss cybersecurity data science, where the data is being gathered from relevant cybersecurity sources, and the analytics complement the latest data-driven patterns for providing more effective security solutions. The concept of cybersecurity data science allows making the computing process more actionable and intelligent as compared to traditional ones in the domain of cybersecurity. We then discuss and summarize a number of associated research issues and future directions. Furthermore, we provide a machine learning-based multi-layered framework for the purpose of cybersecurity modeling. Overall, our goal is not only to discuss cybersecurity data science and relevant methods but also to focus the applicability towards data-driven intelligent decision making for protecting the systems from cyber-attacks.

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

Auxin and ethylene pathways cooperatively regulate a variety of developmental processes in plants. Growth responses to ethylene are largely dependent on auxin, the key regulator of plant morphogenesis. Auxin, in turn, is capable of inducing ethylene biosynthesis and signaling making the interaction of these hormones reciprocal. Recent studies discovered a bunch of molecular events underlying auxin-ethylene crosstalk. In this review, we summarize the results of fine-scale and large-scale experiments on interaction of auxin and ethylene pathways in Arabidopsis. We integrate the knowledge on the molecular crosstalk events, their tissue specificity and associated phenotypic responses to decipher the crosstalk mechanisms at a systems level. We also discuss the prospects of applying systems biology approaches to study the mechanisms of crosstalk between plant hormones.

Synesthesia is a psychological phenomenon where sensory signals become mixed. Input to one sensory modality produces an experience in a second, unstimulated modality. In “grapheme-color synesthesia”, viewed letters and numbers evoke mental imagery of colors. The study of this condition has implications for increasing our understanding of brain architecture and function, language, memory and semantics, and the nature of consciousness. In this work, we propose a novel application deep learning to model perception in grapheme-color synesthesia. Achromatic letter images, taken from database of handwritten characters, are used to induce synesthesia. Results show the model learns to accurately create a colored version of the inducing stimulus, according to a statistical distribution from experiments on a sample population of grapheme-color synesthetes. The spontaneous, creative mental imagery characteristic of the synesthetic perceptual experience is reproduced by the model. A model of synesthesia that generates testable predictions on brain activity and behavior is needed to complement large scale data collection efforts in neuroscience, especially when articulating simple descriptions of cause (stimulus) and effect (behavior). The research and modeling approach reported here begins to address this need.

The information technology has brought in a revolution in the area of digital agriculture and hydrological modeling . With the advent of IOT and AI such as machine learning is now capable of Predicating flood forecast , drought forecast and farms based water predications. In this article various machine learning algorithms , multiple sensors for environmental and agricultural has been proposed and used . The purpose is to acquire data of soil moisture , temperature , crop stages, irrigation and precipitation on a region constitute of two farms and then performed machine learning predications for total discharge predications at farms outlets so that in case of excessive rainfall or an irrigation event the water is adjusted in the second nearby farm or reroute to a reservoir for future use to avoid flooding. The focus is mostly to work on the concept and building of an andriod -ardiuno based mobile application for the endusers (agricultural system analyst, farmers) to provide an ease. The whole system of smart agricultural based on two farms and reservoir will provide an efficient ,fully automatic, proactive and decision support system to save water waste and reuse. In future the work is also in progress for developing a desktop based application .

Design and advancement of the durable urban train infrastructures are of utmost importance for reliable mobility in the smart cities of the future. Given the importance of urban train lines, tunnels, and subway stations, these structures should be meticulously analyzed. In this research, two-dimensional modeling and analysis of the soil-structure mass of the Alan Dasht station of Mashhad Urban Train are studied. The two-dimensional modeling was conducted using Hashash’s method and displacement interaction. After calculating the free-field resonance and side distortion of the soil mass, this resonance was entered into PLAXIS finite element program, and finally, stress and displacement contours together with the bending moment, shear force and axial force curves of the structure were obtained.

Climate change is significantly reshaping global and regional climates, with profound impacts on local microclimates and agricultural productivity. This study investigates the effects of climate change on regional microclimates and examines how these shifts influence agricultural output, focusing on case studies from vulnerable regions. Utilizing secondary climate data from international agencies, this research applies statistical techniques, including time series analysis, correlation analysis, and extreme value theory, to assess changes in temperature, precipitation, and other environmental factors. The study employs spatial analysis to explore the geographic variability in these effects, and regression models to quantify the relationship between climatic changes and crop yields. Preliminary results indicate a marked shift in microclimate patterns, with significant consequences for farming practices, particularly in regions reliant on climate-sensitive crops. The findings underscore the need for adaptive strategies in agricultural sectors to mitigate the risks posed by climate change. This research provides valuable insights for policymakers and farmers, emphasizing the importance of localized climate data in developing sustainable agricultural frameworks.

A theory for the micelle formation of nonionic head-tail amphiphiles (detergents) in aqueous solutions is derived based on the traditional molecular thermodynamic modeling approach and a variant of Flory-Huggins theory that goes beyond lattice models. The theory is used to analyze experimental values for the critical micelle concentration of n-alkyl-ß-D-maltosides within a mass action model. To correlate those parts of the micellization free energy, that depend on the transfer of hydrophobic molecule parts into the aqueous phase, with molecular surfaces, known data for the solubility of alkanes in water are reanalyzed. The correct surface tension to be used in connection with the solvent excluded surface of the alky tail is 30 mN/m. This value is smaller than the measured surface tension of a macroscopic alkane-water interface, because the transfer free energy contains a contribution from the incorporation of the alkane or alkyl chain into water representing the change in free volume of the aqueous phase. Flory-Huggins theory works well, if one takes into account the difference in liberation free energy between micelles and monomers, which can be described in terms of the aggregation number as well as the thermal deBroglie wavelength and the free volume of the detergent monomer.