During the recent decades, global warming by greenhouse gas evolution has attracted worldwide attention and evermore strict regulations thereon have become institutionalized as international policies. In the process, more environment-friendly power generation technologies have been developed utilizing fossil fuels with a view to timely commercialization. As one of such “clean coal” technology, Integrated Gasification Fuel Cell system is a promising power generation means and COS hydrolysis reactor is installed downstream of coal syngas to remove acidic gas constituents such as H2S and COS. The most significant design parameters affecting performance of the COS hydrolysis reactor were selected to be GHSV, (catalytic) reaction temperature, and length ratio and numerical modeling was performed considering heat and fluid flow transfer as well as chemical reaction kinetics. Effect of the selected design parameters on the variation of conversion rate and reactant gas mixture concentration were comprehensively investigated to predict performance of COS hydrolysis reactor. Stochastic modeling of reactor performance was finally performed using Monte Carlo simulation and linear regression fitting.

Computationally modelling a nuclear reactor startup core for a benchmark against the existing models is highly desirable for an independent assessment informing nuclear engineers and energy policymakers. This work presents a startup core model of the UK’s first Evolutionary Pressurised Water Reactor (EPR) based on Monte Carlo simulations of particle collisions using Serpent 2, a continuous-energy Monte Carlo reactor physics burnup code. Coupling between neutronics and thermal-hydraulic conditions with the fuel depletion is incorporated into the multi-dimensional branches, obtaining the thermal flux and fission rate (power) distributions radially and axially from the three dimensional (3D) single assembly level to a 3D full core. Shannon entropy is employed to characterise the convergence of the fission source distribution, with 3 billion neutron histories tracked by parallel computing. Source biasing is applied for the variance reduction. Benchmarking the proposed Monte Carlo 3D full-core model against the traditional deterministic transport computation suite used by the UK Office for Nuclear Regulation (ONR), a reasonably good agreement within statistics is demonstrated for the safety-related reactivity coefficients, which creates trust in the EPR safety report.

Modern automotive systems should must satisfy strict reliability requirements. Most of the real vehicle systems and safety-critical networks have complex interconnections. Sensitivities and probabilistic uncertainties of reliability of System with Complex Interconnections (SwCI) can be investigated by the Monte-Carlo Simulation (MCS). The paper focuses on sensitivities and parametrical uncertainties of SwCIs reliability. The proposed method can be used forimplemented in the investigation of uncertainties of SwCIs reliability – in other wordsi.e., for in the determination of critical system elements and to estimateion of the Required Number of Spare Parts (RNSP) of the system, which depends on the probability of allowable spare equipment shortage.

In this study, we investigate the growth of EV ownership among Swedish households. Through detailed socio-economic data and the Swedish vehicle register, we are able compare characteristics of households that bought an EV in 2016 with those that became EV owners in 2020. We are thus able to describe and analyse the transition from the early EV owners to the early majority. Unlike many prior studies in the field, which are based on surveys or interviews, this study relies on registry data, thereby encompassing all car owners in Sweden. In this study, we have also scrutinized the significance of ownership mode by distinguishing between households that have chosen to purchase a car and those that have chosen to lease one. The results show that the demand for EVs has reached new consumer groups, e.g. both younger and older car buyers, and that the option to lease a car privately has broadened the market for new cars in general, and for EV’s in particular.

In Brazil, the production of corn and soybeans has been growing significantly in recent years. Considering that the strategies for investing in the production of these crops are conditioned by production costs and risk, the objective of this article is to propose a simulation model that indicates the trend of production costs for these commodities, considering the dispersion and correlation of selected key variable prices and corn and soybean production costs practiced between the years of 2018 and 2022. Fifty specialized companies in the state of Sao Paulo, Brazil, provided data for this study, and Monte Carlo simulations showed that the total cost of corn production/ha is between USD 600.00 and USD 1150.00, with a level of certainty of 84.7%, and soybeans are in the range of USD 260.00 to USD 420.00, with a level of certainty of 86.4%. The model evidenced a trend of decreasing production costs for the crops for the 2023/24 and 2024/25 harvests, as the input with the greatest impact (fertilizer) is showing a downward trend. On the other hand, costs related to labor, soybean seed, and fungicides are showing an upward trend, while dolomitic limestone corrective remains stable.

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

Dynamic hedging has been adopted by many insurance companies to mitigate the financial risks associated with variable annuity guarantees. In order to simulate the performance of dynamic hedging for variable annuity products, insurance companies rely on nested stochastic projections, which is highly computationally intensive and often prohibitive for large variable annuity portfolios. Metamodeling techniques have recently been proposed to address the computational issues. However, it is difficult for researchers to obtain real datasets from insurance companies to test metamodeling techniques and publish the results in academic journals. In this paper, we create synthetic datasets that can be used for the purpose of addressing the computational issues associated with the nested stochastic valuation of large variable annuity portfolios. The runtime used to create these synthetic datasets would be about 3 years if a single CPU were used. These datasets are readily available to researchers and practitioners so that they can focus on testing metamodeling techniques.

Managing a portfolio whose value closely tracks an index by trading only in a subset of the index constituents involves an NP-hard optimisation problem. In the prior literature, it has been suggested to solve this problem using sequential Monte Carlo (SMC, a.k.a. particle filter) methods. However, this literature does not take transaction costs into account, although transaction costs are the primary motivation for attempting to replicate the index by trading in a subset, rather than the full set of index constituents. This paper extends the SMC approach to index tracking to allow for proportional transaction costs and implements this extended method on empirical data for a variety stock indices. In addition to providing a more practically useful tracking strategy by allowing for transaction costs, we find that including a penalty for transaction costs in the optimisation objective can actually lead to better tracking performance.

An iterative outlier elimination procedure based on hypothesis testing, commonly known as Iterative Data Snooping (IDS) among geodesists, is often used for the quality control of the modern measurement systems in geodesy and surveying. The test statistic associated with IDS is the extreme normalised least-squares residual. It is well-known in the literature that critical values (quantile values) of such a test statistic cannot be derived from well-known test distributions, but must be computed numerically by means of Monte Carlo. This paper provides the first results about Monte Carlo-based critical value inserted to different scenarios of correlation between the outlier statistics. From the Monte Carlo evaluation, we compute the probabilities of correct identification, missed detection, wrong exclusion, overidentifications and statistical overlap associated with IDS in the presence of a single outlier. Based on such probability levels we obtain the Minimal Detectable Bias (MDB) and Minimal Identifiable Bias (MIB) for the case where IDS is in play. MDB and MIB are sensitivity indicators for outlier detection and identification, respectively. The results show that there are circumstances that the larger the Type I decision error (smaller critical value), the higher the rates of outlier detection, but the lower the rates of outlier identification. For that case, the larger the Type I Error, the larger the ratio between MIB and MDB. We also highlight that an outlier becomes identifiable when the contribution of the measures to the wrong exclusion rate decline simultaneously. In that case, we verify that the effect of the correlation between the outlier statistics on the wrong exclusion rates becomes insignificant from a certain outlier magnitude, which increases the probability of identification.

Breaching and liquefaction are two types of coastal flow slides proposed in the literature. While their final results are similar, liquefaction and breaching failure are two different processes, with breaching failure characterized by a different progression and sand movement mechanisms. In densely packed sand, breaching causes delayed sand grain discharge and negative excess pore pressures. Liquefaction, when a mass of soil suddenly behaves like a liquid, flow out over overly gentle slopes. Flow slides typically go unnoticed until the slope fails above ground because they start below the water. Without modern technology, diving equipment, risk assessment, and probabilistic and sensitivity assessments, flow slides inherently challenging. The authors developed a new sensitivity index to detect the susceptibility of coastal flow slides. It was established a sophisticated hybrid model that accommodates flow slides in sync with unpredictable variables employed in this new sensitivity index. Innovative hybrid model has three distinctive models. The Hybrid Hydrodynamic Model addresses wave, wind, current, climate change, and sediment transfer. The Monte Carlo Simulation analyses sensitivity, and the Bayesian Network calculates joint probability of coastal flow slide parameters of this new index that includes environmental characteristics, including climate change. With the assistance of these three models, researchers aim at a) presenting a methodology for coupling coastal flow slide projections with outcomes; b) distinguishing two flow slides; c) examining variables influencing flow slides. The use of such a hybrid model and risk index offers a robust and computationally efficient approach to evaluating the critical angle slope for breaching failure.

Flomoxef (FMX) may be a potential alternative to carbapenems for dogs infected with Enterobacterales producing extended-spectrum β-lactamase (ESBL-E). However, the appropriate dosage of FMX in dogs with ESBL-E infections has yet to be established. This study was carried out to establish appropriate treatment regimens for FMX against ESBL-E infections in dogs by a pharmacokinetics–pharmacodynamics (PK–PD) approach. Five dogs received an intravenous bolus dose of FMX (40 mg/kg). Serum FMX concentrations were evaluated using high-performance liquid chromatography-tandem mass spectrometry, and PK indices were determined based on non-compartmental model. The cumulative fraction of response (CFR) was calculated based on the distribution of minimum inhibitory concentrations among wild-type ESBL-E from companion animals. As the results, the dosage regimens of 40 mg/kg q8h and q6h were estimated to achieve a CFR of >90% for wild-type isolates of ESBL-producing Escherichia coli, Klebsiella pneumoniae, and Proteus mirabilis for dogs. In contrast, all regimens exhibited a CFR of <80% for ESBL-producing Enterobacter cloacae. Our results indicated that dosage regimens of 40 mg/kg FMX q8h and q6h can be a non-carbapenem treatment for dogs infected with ESBL-producing isolates of Escherichia coli, Klebsiella pneumoniae, and Proteus mirabilis, but not for those infected with ESBL-producing Enterobacter cloacae.

Ice formation on aircraft surfaces poses significant safety risks, and current detection systems often struggle to provide accurate, real-time predictions. This paper presents the development and comprehensive evaluation of a smart ice control system using a suite of machine learning models. The system utilizes various sensors to detect temperature anomalies and signal potential ice formation. We trained and tested supervised learning models (Logistic Regression, Support Vector Machine, Random Forest), unsupervised learning models (K-means clustering), and neural networks (Multi-Layer Perceptron) to predict and identify ice formation patterns. Experimental results demonstrate that our smart system, driven by machine learning, accurately predicts ice formation in real-time, optimizes de-icing processes, and enhances safety while reducing power consumption. This solution holds the potential for improving ice detection accuracy in aviation and other critical industries requiring robust predictive maintenance.

This paper compares the finite sample performance of three non-parametric threshold estimators via Monte Carlo method. Our results show that the finite sample performance of the three estimators is not robust to the relative position of the threshold level along the distribution of threshold variable, especially when a structural change occurs at the tail part of the distribution.

The Latin American Giant Observatory (LAGO) is a ground-based extended cosmic rays observatory designed to study transient astrophysical events, the role of the atmosphere on the formation of secondary particles, and space-weather-related phenomena. With the use of a network of Water Cherenkov Detectors, LAGO measures the secondary particle flux, a consequence of the interaction of astroparticles impinging on the Earth with the atmosphere. These interactions yield a flux of secondary particles that can be grouped into three distinct basic constituents: the electromagnetic, muonic, and hadronic components. In this work we extend our previous research by using detailed simulations of the expected atmospheric response to the primary flux and the corresponding response of our WCDs to atmospheric radiation. After implemented OPTICS, a density-based clustering algorithm, to identify patterns in data collected by a single WCD, we have further refined our approach by implementing a method that categorizes and differentiates particle groups using advanced unsupervised machine learning techniques. Our analysis demonstrates that applying our enhanced methodology can accurately identify the originating particle with a high degree of confidence on a single-pulse basis, highlighting its precision and reliability. These promising results suggest the feasibility of implementing machine-learning-based models throughout LAGO distributed detection network and other astroparticles observatories for semi-automated, onboard and real-time data analysis. When a particle enters a Water Cherenkov Detector (WCD), it generates a measurable signal characterized by unique features correlating to the particle’s type and the detector’s specific response. The resulting charge histograms from these signals provide valuable insights into the flux of primary astroparticles and their key characteristics. However, this data is insufficient to effectively distinguish between the contributions of different secondary particles. This research extends our previous investigations, wherein we implemented OPTICS, a density-based clustering algorithm, to identify patterns in data collected by a single WCD. We have further refined our approach by implementing a method that categorizes and differentiates particle groups using advanced unsupervised machine learning techniques. This methodology facilitates the differentiation among particle types and utilizes the detector’s nuanced response to each particle type, thus pinpointing the principal contributors within each group. In this work, we utilize OPTICS to analyze simulated data, further validating the proposed method. We created a simulated dataset by combining the outputs of the ARTI and MEIGA frameworks. This dataset simulates the expected WCD signals produced by the flux of secondary particles during one day at the LAGO site in Bariloche, Argentina, situated at 865 meters above sea level. To achieve this, real-time magnetospheric and local atmospheric conditions for February and March of 2012 were analyzed, and the resultant atmospheric secondary-particle flux was integrated into a specific MEIGA application featuring a comprehensive Geant4 model of the WCD at this LAGO location. The output from MEIGA was modified for effective integration into our machine learning pipeline. Our analysis demonstrates that applying our enhanced methodology can accurately identify the originating particle with a high degree of confidence on a single-pulse basis, highlighting its precision and reliability. These promising results suggest the feasibility of implementing machine-learning-based models throughout the LAGO distributed detection network for semi-automated, onboard and real-time data analysis. Our analysis demonstrates that OPTICS can accurately identify the originating particle with a high degree of confidence on a single-pulse basis, highlighting its precision and reliability. These promising results suggest the feasibility of implementing machine-learning-based models throughout the LAGO distributed detection network for semi-automated, onboard data analysis.

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

In the context of improving aircraft safety, this study focuses on the development and evaluation of a graphene-based ice detection system using an environmental chamber. The research is driven by the need for more accurate and efficient ice detection methods, crucial in mitigating in-flight icing hazards. The methodology employed involves testing flat graphene-based sensors in a controlled environment, simulating a variety of climatic conditions that could be experienced in an aircraft during its entire flight. The environmental chamber enabled precise manipulation of temperature and humidity levels, thereby providing a realistic and comprehensive test bed for sensor performance evaluation. The results were significant, revealing the graphene sensors’ heightened sensitivity and rapid response to the subtle changes in environmental conditions, especially the critical phase transition from water to ice. This sensitivity is the key to detecting ice formation at its onset, a critical requirement for aviation safety. The study concludes that graphene-based sensors, tested under varied and controlled atmospheric conditions, exhibit a remarkable potential in enhancing ice detection systems for aircraft. Their lightweight, efficient and highly responsive nature makes them a superior alternative to traditional ice detection technologies, paving the way for more advanced and reliable aircraft safety solutions.

This paper presented a two-dimensional, well-balanced hydrodynamic and sediment transport model based on the solutions of variable density shallow water equations (VDSWEs) for sediment-laden flows, and the Exner equation for bed changes. Those equations are solved in a coupled way by the first-order Godunov-type finite volume method. The Harten-Lax-van Leer-Contact (HLLC) Riemann solver is extended to find the local Riemann fluxes in order to maintain the exact balance between the momentum term and the bed slope term. The advantage of a well-balanced scheme over an unbalanced scheme is demonstrated by the synthetic standing contact-discontinuity test case. Then, the model is employed to simulate two laboratory experiments. At last, a field case, the 1996 Lake Ha! Ha! flood event (Canada), is simulated. Results of cross sectional geometries and profiles of longitudinal thalweg agree well with measurements. The accuracy and simplicity of the numerical model, together with the robust implementation, make the model a good candidate for practical engineering applications.

This work analyzes the severity and risk associated with Automatic Dependent Surveillance-Broadcast (ADS-B) message drop out in Detect and Avoid (DAA) function of Unmanned Aircraft System (UAS). Performance assessment of the Universal Access Transceiver (UAT) ADS-B message implies that in some cases ADS-B fails to update within a specified update interval, which is referred to as drop out in this work. ADS-B is a fundamental surveillance sensor for both class 1 and class 2 DAA systems. Message loss or drop out has been found as one of the common limitations of the ADS-B system. The key feature of this study is incorporating the update rate of real ADS-B data transmitted from the manned aircraft. The data were received from the Grand Forks International Airport, North Dakota. Monte Carlo method has been adopted to resolve encounter scenarios in the presence of drop out. The change in the alert triggered by the UAS DAA in the presence of ADS-B drop out has been investigated. Furthermore, the risk matrices are created to quantify the associated risk with drop out affected alerts. Simulation results depict that both the duration of drop out and DAA look-ahead time affect the alert-triggering function of UAS. With a small look- ahead window and longer duration of drop out, the number of warning alerts increases. Also, alerts are affected more during an overtaking encounter than that of a head-to-head encounter. A system-level analysis is also carried out to recognize the potential reasons behind the ADS-B drop out.

To sample from complex, high-dimensional distributions, one may choose algorithms based on the Hybrid Monte Carlo (HMC) method. HMC-based algorithms generate nonlocal moves alleviating diffusive behavior. Here, I build on an already defined HMC framework, Hybrid Monte Carlo on Hilbert spaces [A. Beskos, F.J. Pinski, J.-M. Sanz-Serna and A.M. Stuart, Stoch. Proc. Applic. 121, 2201 - 2230 (2011); doi:10.1016/j.spa.2011.06.003] that provides finite-dimensional approximations of measures π which have density with respect to a Gaussian measure on an infinite-dimensional Hilbert (path) space. In all HMC algorithms, one has some freedom to choose the mass operator. The novel feature of the algorithm described in this article lies in the choice of this operator. This new choice defines a Markov Chain Monte Carlo (MCMC) method which is well defined on the Hilbert space itself. As before, the algorithm described herein uses an enlarged phase space Π having the target π as a marginal, together with a Hamiltonian flow that preserves Π. In the previous method, the phase space π was augmented with Brownian bridges. With the new choice for the mass operator, π is augmented with Ornstein-Uhlenbeck (OU) bridges. The covariance of Brownian bridges grows with its length, which has negative effects on the Metropolis-Hasting acceptance rate. This contrasts with the covariance of OU bridges which is independent of the path length. The ingredients of the new algorithm include the definition of the mass operator, the equations for the Hamiltonian flow, the (approximate) numerical integration of the evolution equations, and finally the Metropolis-Hastings acceptance rule. Taken together, these constitute a robust method for sampling the target distribution in an almost dimension-free manner. The behavior of this novel algorithm is demonstrated by computer experiments for a particle moving in two dimensions, between two free-energy basins separated by an entropic barrier.

With the aim to improve cladding coating quality and prevent cracking, this paper established an extreme high-speed laser cladding thermo-mechanical coupling simulation model to study the evolution of the temperature field and residual stress distribution. Process parameters that impacted the macroscopic morphology of single-pass coatings were investigated. Numerical calculations and temperature field simulations were performed based on the process parameter data to validate the effect of the temperature gradient and cooling rate on the coating structure and the residual stress distribution. The results showed that a good coating quality could be achieved using a laser power of 2400 W, a cladding rate of 20 m/min, and a powder feeding rate of 20.32 g/min. The coatings’ cross-sectional morphology corresponded well with the temperature distribution predicted by numerical modeling of the melt pool. The microstructure of the molten coatings is affected by the temperature gradient and cooling rate, which vary greatly from the bottom to the middle to the top. Maximum residual stress appears between the bonding region of the coatings and the substrate, and the coatings themselves have significant residual stress in the form of tensile strains that are mostly distributed in the direction of the laser cladding speed.

The shear stress generated by wall turbulence is the main cause of wall friction resistance in turbulent flow through pipes. This paper investigates the impact of inserting rest periods (regions of constant Reynolds number) within the pulsating operating cycle of velocity on the fully turbulent flow at large time-averaged Reynolds numbers, using the Large Eddy Simulation (LES) method. The study aims to explore the effect of increasing rest periods within pulsations on drag resistance. The dimensionless shear stress and drag reduction rates during different time periods of rest were analyzed. Numerical simulation results indicate that the pulsating velocity operation mode does not necessarily lead to drag reduction; it may even result in increased resistance. Inserting rest periods within the pulsation cycle can achieve drag reduction effects, with the maximum drag reduction rate reaching 21.8\%. Comparisons with experimental data and Direct Numerical Simulation (DNS) from the literature validate the feasibility of using the LES method for pipe pulsating operation modes.

Every firm is devoted to polishing and fine-tuning its maintenance strategy. More exactly, when we develop robust and efficient preventive and conditional maintenance approaches, our objective is to combine performance and robustness to increase maintenance decision-making. This, in turn, leads to a reduction in system failures and a subsequent drop in related expenses. This impulse drives the origin of this essay: to provide fresh criteria that allow us to improve and optimize maintenance techniques. Furthermore, our study has been realistically utilized via the deployment of condition-based maintenance (CBM) techniques, which are commonly regarded as a critical lever that allows firms to gain a competitive advantage in the context of the fourth industrial revolution. Combining both perfect and imperfect maintenance actions into CBM strategies appears to be an effective technique to obtain high economic performance and robustness in the maintenance strategies of the companies. Following this idea, we propose and optimize in this paper a set of criteria enabling the combined assessment of the mean economic performance and the resilience of various kinds of maintenance techniques. The advantage of the proposed criterion is that it adapts to different types of maintenance strategies and provides access to a simple and relevant evaluation model. Thanks to this new criterion, we will be able to choose the better maintenance strategies that have more performance and robustness between these strategies for a system with more or less stable behavior. The Monte Carlo Method is incorporated into the comparative assessment of maintenance methods, adding a layer to the evaluation of the performance and robustness of each adaptation in decision-making.

Long-range interactions are relevant for a large variety of quantum systems in quantum optics and condensed matter physics. In particular, the control of quantum-optical platforms promises to gain deep insights in quantum-critical properties induced by the long-range nature of interactions. From a theoretical perspective, long-range interactions are notoriously complicated to treat. Here, we give an overview of recent advancements to investigate quantum magnets with long-range interactions focusing on two techniques based on Monte Carlo integration. First, the method of perturbative continuous unitary transformations where classical Monte Carlo integration is applied within the embedding scheme of white graphs. This linked-cluster expansion allows to extract high-order series expansions of energies and observables in the thermodynamic limit. Second, stochastic series expansion quantum Monte Carlo which enables calculations on large finite systems. Finite-size scaling can then be used to determine physical properties of the infinite system. In recent years, both techniques have been applied successfully to one- and two-dimensional quantum magnets involving long-range Ising, XY, and Heisenberg interactions on various bipartite and non-bipartite lattices. Here, we summarise the obtained quantum-critical properties including critical exponents for all these systems in a coherent way. Further, we review how long-range interactions are used to study quantum phase transitions above the upper critical dimension and the scaling techniques to extract these quantum critical properties from the numerical calculations.

We consider a class of density-driven flow problems. We are particularly interested in the problem of the salinization of coastal aquifers. We consider the Henry saltwater intrusion problem with uncertain porosity, permeability, and recharge parameters as a test case. The reason for the presence of uncertainties is the lack of knowledge, inaccurate measurements, and inability to measure parameters at each spatial or time location. This problem is nonlinear and time-dependent. The solution is the salt mass fraction, which is uncertain and changes in time. Uncertainties in porosity, permeability, recharge, and mass fraction are modeled using random fields. This work investigates the applicability of the well-known multilevel Monte Carlo (MLMC) method for such problems. The MLMC method can reduce the total computational and storage costs. Moreover, the MLMC method runs multiple scenarios on different spatial and time meshes and then estimates the mean value of the mass fraction. The parallelization is performed in both the physical space and stochastic space. To solve every deterministic scenario, we run the parallel multigrid solver ug4 in a black-box fashion. We use the solution obtained from the quasi-Monte Carlo method as a reference solution.

Background: The genetic variants identified by three large genome-wide association studies (GWAS) of educational attainment were used to test a polygenic selection model. Methods: Average frequencies of alleles with positive effect (polygenic scores or PS) were compared across populations (N=26) using data from 1000 Genomes. A null model was created using frequencies of random SNPs. Results: Polygenic selection signal of educational attainment GWAS hits is high among a handful of SNPs within genomic regions replicated across GWAS publications. A polygenic score comprising 9 SNPs predicts population IQ (r=0.88), outperforming 99% of the polygenic scores obtained from sets of random SNPs (Monte Carlo p= 0.011). Its predictive power remains unaffected after controlling for spatial autocorrelation (Beta= 0.83). The largest polygenic score (161 SNPs) exhibits similar predictive power (Beta=0.8). Random polygenic scores are moderate predictors of population IQ (thanks to spatial autocorrelation), and their predictive power increases logarithmically with the number of SNPs, indicating an exponential reduction in noise. Conclusion: This study provides guidance for using GWAS hits together with random SNPs for testing polygenic selection using Monte Carlo simulations.

Recent discoveries of potential ice particles and ice-cemented regolith on celestial bodies like the Moon and Mars have ushered in new opportunities for developing technologies to extract water, facilitating future space missions and activities on these celestial surfaces. This study delves into the potential for water extraction from regolith through an experiment designed to test water recuperation from regolith simulant under varying gravitational conditions. The resultant water vapor extracted from the regolith is re-condensed on a substrate surface and collected in liquid form. Three types of substrates, hydrophobic, hydrophilic, and grooved, are explored. The system’s functionality was assessed during a parabolic flight campaign simulating three distinct gravity levels: microgravity, lunar gravity, and Martian gravity. Our findings reveal that the hydrophobic surface demonstrates the highest efficiency due to drop-wise condensation, and lower gravity levels result in increased water condensation on the substrates. This experiment aims to provide insights into in-situ water recovery, which is pivotal for establishing economically-sustainable water supplies for future missions.

The buildup of plaque in the arteries characterizes atherosclerosis, which causes the walls of the arteries to thicken, the lumen to narrow, and the wall to thin in certain areas. These changes can lead to alterations in blood flow, potentially resulting in aneurysms and heart attacks if left untreated. This paper presents a phenomenological model to explain the mechanics of plaque rupture in stenosed bifurcated elastic arteries. The model considers the interaction between the plaque and artery wall, blood flow, mechanical properties of the artery wall and plaque, and hemodynamic forces in the system. Using the Navier-Stokes equations to describe blood flow and elastic properties of artery walls, our study shows that blood flow can become turbulent, leading to backflow, vortices, and possible stagnation. Certain regions can become highly vulnerable and result in elevated heat transfer between blood and arterial walls, which can lead to the rupture of the plaque cap. The study focuses on blood flow features such as velocity profiles and wall displacement on fluid-structure interaction, which are consistent with the literature. Finally, we calculate the wall shear stress (WSS) for minimum and maximum times while considering elastic walls. Our findings may provide valuable insights into the mechanisms of plaque rupture and inform the development of improved diagnostic and therapeutic approaches.

This paper presents an optimized energy management strategy for Li-ion power batteries used on electric vehicles (EVs) at low temperatures. Under low-temperature environments, EVs suffer a sharp driving range loss resulted from the energy and power capability reduction of the battery. Simultaneously, because of Li plating, battery degradation becomes an increasing concern as temperature drops. All these factors could greatly increase the total vehicle operation cost. Prior to battery charging and vehicle operating, preheating battery to a battery-friendly temperature is an approach to promote energy utilization and reduce total cost. Based on the proposed LiFePO4 battery model, the total vehicle operation cost under certain driving cycles is quantified in the present paper. Then given a certain ambient temperature, a target temperature of preheating is optimized under the principle of minimizing total cost. As for the preheating method, a liquid heating system is also implemented on an electric bus. Simulation results show that the preheating process becomes increasingly necessary with a decreasing ambient temperature; however, the preheating demand declines as driving range grows. Vehicle tests verify that the preheating management strategy proposed in this paper is able to save total vehicle operation cost.

Silybin is a natural compound extensively studied for its hepatoprotective, neuroprotective and anti-cancer properties. Envisioning the enhancement of silybin potential by suitable modifications in its chemical structure, here, a series of new 7-O alkyl silybins derivatives were synthesized by Mitsunobu reaction starting from the silybins and tyrosol-based phenols, such as tyrosol (TYR, 3), 3-methoxytyrosol (MTYR, 4) and 3-hydroxytyrosol (HTYR, 5). This research sought to explore the antioxidant and anticancer properties of new eighteen derivatives and their mechanisms. In particular, the antioxidant properties of new derivatives outlined by DPPH assay, showed a very pronounced activity depending on the tyrosyl moiety (HTYR>MTYR>>TYR). A significant contribution of the HTYR moiety was observed for silybins and 2,3-dehydro-silybin based derivatives. According to the very potent antioxidant activity, 2,3-dehydro-silybin derivatives 15ab, 15a and 15b exerted the most potent anticancer activity in human prostate cancer PC-3 cells. Furthermore, flow cytometric analysis for cell cycle and apoptosis revealed that 15ab, 15a and 15b induce strong G1 phase arrest and increase late apoptotic population in PC-3 cells. Additionally, western blotting for apoptotic marker cleaved caspase-3 confirmed apoptosis induction by these silybin derivatives in PC-3 cells. These findings hold significant importance in the investigation of anticancer properties of silybin derivatives and strongly encourage swift investigation in pre-clinical models and clinical trials.

The increasing demand for higher power in rocket launchers is driving the development of higher power nozzles, achieved essentially by increasing the expansion ratio. However, this can lead to flow separation and resulting unsteady, asymmetrical forces, called side loads, which can limit the life of both the nozzle itself and other engine components. If this problem can be overcome, engine performance can be significantly increased. Therefore, various separation control methods have been proposed, but none have been fully implemented to date due to the uncertainties associated with modeling and predicting the flow phenomena. A numerical study of high area ratio rocket engine is presented to analyze the aeroelastic performance of the structure under the condition of flow separation. The finite volume method, the 2nd order upwind scheme and the extended wall function are used to analyze the flow inside the rocket nozzle and the transition of the Free Shock Separation (FSS) to Restricted Shock Separation (RSS) separation pattern ) to be discussed in detail. Since the location of the flow separation point depends heavily on the flow.

The entropy models have been recently adopted in many studies to evaluate the distribution of the shear stress in circular channels. However, the uncertainty in their predictions and their reliability remains an open question. We present a novel method to evaluate the uncertainty of four popular entropy models, including Shannon, Shannon-Power Low (PL), Tsallis, and Renyi, in shear stress estimation in circular channels. The Bayesian Monte-Carlo (BMC) uncertainty method is simplified considering a 95% Confidence Bound (CB). We developed a new statistic index called as FREE_opt-based OCB (FOCB) using the statistical indices Forecasting Range of Error Estimation (FREE) and the percentage of observed data in the CB (N_in), which integrates their combined effect. The Shannon and Shannon PL entropies had close values of the FOCB equal to 8.781 and 9.808, respectively, had the highest certainty in the calculation of shear stress values in circular channels followed by traditional uniform flow shear stress and Tsallis models with close values of 14.491 and 14.895, respectively. However, Renyi entropy with much higher values of FOCB equal to 57.726 has less certainty in the estimation of shear stress than other models. Using the presented results in this study, the amount of confidence in entropy methods in the calculation of shear stress to design and implement different types of open channels and their stability is determined.

This paper investigates the inverse option problems (IOP) in the extended Black--Scholes model arising in financial markets. We identify the volatility and the drift coefficient from the measured data in financial markets using a Bayesian inference approach, which is presented as an IOP solution. The posterior probability density function of the parameters is computed from the measured data. The statistics of the unknown parameters are estimated by a Markov Chain Monte Carlo (MCMC) algorithm, which exploits the posterior state space. The efficient sampling strategy of the MCMC algorithm enables us to solve inverse problems by the Bayesian inference technique. Our numerical results indicate that the Bayesian inference approach can simultaneously estimate the unknown trend and volatility coefficients from the measured data.

The total enthalpies of the 16 different spin configurations that can be realized in the unit cell of the archetype spin crossover complex [Fe(phen)₂(NCS)₂] (phen=1,2-phenanthroline) were calculated applying periodic density functional theory combined with the Hubbard model and the Grimme-D2 dispersion correction (DFT+U/D2). The obtained enthalpy differences between the individual spin configurations were used to determine spin couplings of an Ising-like model and subsequent Monte Carlo simulations for this model allowed to estimate the phenomenological interaction parameter Г of the Slichter-Drickamer model, which is commonly used to describe the cooperativity of the spin transition. The calculational procedure described here, which led to an estimate of about 3 kJ/mol⁻¹ for Г, in good agreement with experiment, may be used to predict from first principles how modifications of spin crossover complexes can change the character of the spin transition from gradual to abrupt and vice versa.

The 5-hydroxymethylfurfural (HMF) is a six-carbon heterocyclic organic compound with two substituents an aldehyde group and an alcohol group. It is formed from saccharides as a result of two reactions: the Maillard reaction and the caramelization of saccharides. It has both a negative and a positive effect on the human body, which makes it, even more, an attractive research object. The objective of the study was to determine HMF content in honey samples available on the Polish market using three varied methods and compare the results obtained. The methodology used included: two spectrophotometric methods (by White and Winkler) and the HMF determination method based on the LC-MS/MS technique developed uniquely for this study. The determined HMF content in all tested honey samples did not exceed the applicable standard. All results are within the scope of the European Council Directive 2001/110/EC of 20 December 2001, i.e. they do not exceed HMF content in honey, which is 40 mg/kg.

Flexible implementations of Monte Carlo Tree Search (MCTS), combined with domain specific knowledge and hybridization with other search algorithms, can be a very powerful for the solution of problems in complex planning. We introduce mctreesearch4j, a standard MCTS implementation written as a standard JVM library following key design principles of object oriented programming. We define key class abstractions allowing the MCTS library to flexibly adapt to any well defined Markov Decision Process or turn-based adversarial game. Furthermore, our library is designed to be modular and extensible, utilizing class inheritance and generic typing to standardize custom algorithm definitions. We demon- strate that the design of the MCTS implementation provides ease of adaptation for unique heuristics and customization across varying Markov Decision Process (MDP) domains. In addition, the implementation is reasonably performant and accurate for standard MDP’s. In addition, via the implementation of mctreesearch4j, the nuances of different types of MCTS algorithms are discussed.

The origin of a product, consumer familiarity, and purchasing identity are factors that affect perception of cheese consumption. The present study aims at identifying consumers’ conceptualizations and attitudes towards local Greek cheeses of the North-Aegean Sea islands, such as Ladotyri, Graviera, Kasseri, Kaskavali, Melichloro, and Kalathaki, some of which have a Protected Designation of Origin (PDO) status, as opposed to cheeses of non-Greek origin, such as Cheddar, Regatto, and Gouda. Sensory and emotional attributes of local, local PDO, and imported cheeses, and drivers associated with consumers’ choice and acceptance above and beyond their sensory attributes were studied, using three methods: a) Flash Profile to gain insight into the sensory positioning of products and description of samples, b) qualitative analysis of focus groups to pinpoint consumer knowledge, preference, and consumption criteria, and c) a new methodology for natural language processing and sentiment analysis of social media posts to determine consumer conceptualizations. Social media posts have proven to be a valuable source of linguistic and cultural data for cheeses. Local cheeses, including PDO products, were found to be linked to village life and family gatherings, home, tradition, and childhood memories, with saltiness and hardness being their main sensory attributes. Imported cheeses were linked to fast food, pizza, and snacking, with elasticity and gumminess as prominent sensory qualities. The main criterion of purchase was intended usage and versatility, taste and texture, price, and familiarity. The findings provide key sensory attributes, information about consumer purchasing criteria, and relevant vocabulary for the promotion of cheeses as agri-food and gastronomic identity key products.

Sword-duels are interesting, from a game-theoretical perspective, as they correspond to sudden-death interactions between players (i.e., defeat means removal from the game), and where victory/defeat depend on not just skill, but also luck. Analyzing probabilities of victory streaks, given a certain level of self and others' skill, is thus relevant for any application domain that can be modeled in the same way. This paper takes inspiration from Miyamoto Musashi, famously undefeated for 61 duels, and implements a Markov-chain Monte-Carlo simulation approach to evaluate this scenario. Results suggest that a 61 victory streak can be probabilistically observed when skill level is roughly 6.5 times that of the average duelist, and with 95\% confidence when skill level is roughly 1000 times that of the average duelist. More generally, this paper provides a method for determining chances of victory streaks in game-theoretical sudden-death encounters, when both "skill" and "luck" contribute to the outcome of the encounter. Specific scenarios can be modeled by modifying the utilized Markov chain and adjusting sampled distributions as required.

We numerically study surface models defined on hexagonal disks with a free boundary. 2D surface models for planer surfaces have recently attracted interest due to the engineering applications of functional materials such as graphene and its composite with polymers. These 2D composite meta-materials are strongly influenced by external stimuli such as thermal fluctuations if they are sufficiently thin. For this reason, it is very interesting to study the shape stability/instability of thin 2D materials against thermal fluctuations. In this paper, we study three types of surface models including Landau-Ginzburg (LG) and Helfirch-Polyakov models defined on triangulated hexagonal disks using the parallel tempering Monte Carlo simulation technique. We find that the planer surfaces undergo a first-order transition between the smooth and crumpled phases in the LG model and continuous transitions in the other two models. The first-order transition is relatively weaker compared to the transition on spherical surfaces already reported. The continuous nature of the transition is consistent with the reported results, although the transitions are stronger than that of the reported ones.

Due to their remarkable intrinsic physical properties, carbon nanotubes (CNTs) can enhance mechanical properties and confer electrical and thermal conductivity to polymers currently investigated for use in advanced applications based on thermal management. An epoxy resin filled with varying concentrations of CNTs (up to 3 wt.%) was produced and experimentally characterized. The electrical percolation curve identified two critical filler concentrations: 0.5 wt%, near the electrical percolation threshold, suitable for exploring mechanical and piezoresistive properties, and 3 wt% for investigating thermo-electric properties due to the Joule effect with applied voltages ranging from 70V to 200V. Numerical models were developed using multiphysics simulation software. Once validated with experimental data, these models were used to investigate additional physical properties of the composites. Furthermore, a statistical approach based on the design of experiments (DoE) was employed to examine the influence of certain thermal parameters on the final performance of the materials. The purpose of this research is to promote the use of contemporary statistical and computational techniques alongside experimental methods to enhance understanding of materials science. New materials can be identified through these integrated approaches, or existing ones can be more thoroughly examined.

One of the relevant goals in forging technologies is simplifying the existing process and developing new processes that can retain the original or very close to the original dimensions and billet shape after the end of the deformation cycle. This study attempts to develop a forging equipment design that provides alternating cyclic loading; the alternate cyclic forging (ACF) method is proposed. To preliminary evaluate the ACF and study the plastic deformation behavior, numerical simulation via finite element modeling (FEM) was conducted using DEFORM-3D. The main attention was paid to the metal flow characteristics, effective strain and stress distribution, and the forging load. The ACF results in non-uniform metal flow with the formation of diagonal and vortex flows were demonstrated. Maximum effective strains and stresses zones are localized at two points of the billet contact with the surface of the tooling container and at two points of the interface between the punches. It was also assumed that reducing the contact area between the punch and the billet using separate semi-cylindrical punches can reduce the forging load. Preliminary finite element analysis (FEA) results of the proposed process after four successive steps of the deformation cycle confirmed the feasibility of its general implementation.

After 2010, the source model of the microSelectron HDR Afterloader System was slightly modified from the previous model. Granero et al. named the modified source model “mHDR-v2r (revised model mHDR-v2)” and the previous model “mHDR-v2”. They concluded that the dosimetric differences arising from the dimensional changes between the mHDR-v2 and mHDR-v2r designs were negligible at almost all locations (within 0.5 % for r ≥ 0.25 cm), the two-dimensional anisotropy function difference between the two sources is found 2.1 % at r = 1.0 cm when compared with the results of the other experimental group. To confirm this difference, we performed a full Monte Carlo simulation without the energy fluence approximation. This is useful near the radiation source where charged-particle equilibrium does not hold. The two-dimensional anisotropy function of the TG-43U1 dataset showed a few percent difference between the mHDR-v2r and mHDR-v2 sources. There was no agreement in the immediate vicinity from the source (0.10 cm and 0.25 cm), when compared to Granero et al. in mHDR-v2r sources. The differences in these two-dimensional anisotropy functions were identified.

Model selection and model averaging have been the popular approaches in handling modelling uncertainties. Fan and Li(2006) laid out a unified frame work for variable selection via penalized likelihood. The tuning parameter selection is vital in the optimization problem for the penalized estimators in achieving consistent selection and optimal estimation. Since the OLSpost-LASSO estimator by Belloni and Chernozhukov (2013), few studies have focused on the finite sample performances of the class of OLS post-penalty estimators with the tuning parameter choice determined by different tuning parameter selection approaches. We aim to supplement the existing model selection literature by studying such a class of OLS post-selection estimators. Inspired by the Shrinkage Averaging Estimator (SAE) by Schomaker(2012) and the Mallows Model Averaging (MMA) criterion by Hansen (2007), we further propose a Shrinkage Mallows Model Averaging (SMMA) estimator for averaging high dimensional sparse models. Based on the Monte Carlo design by Wang et al. (2009) which features an expanding sparse parameter space as the sample size increases, our Monte Carlo design further considers the effect of the effective sample size and the degree of model sparsity on the finite sample performances of model selection and model averaging estimators. From our data examples, we find that the OLS post-SCAD(BIC) estimator in finite sample outperforms most of the current penalized least squares estimators as long as the number of parameters does not exceed the sample size. In addition, the SMMA performs better given sparser models. This supports the use of the SMMA estimator when averaging high dimensional sparse models.

The description of protein disordered states is important for understanding protein folding mechanisms and their functions. In this short review, we briefly describe a simulation approach to modeling disordered protein interactions and unfolded states of globular proteins. It is based on the CABS coarse-grained protein model that uses a Monte Carlo (MC) sampling scheme and a knowledge-based statistical force field. We review several case studies showing that description of protein disordered states resulting from CABS simulations is consistent with experimental data. The case studies comprise investigations of protein-peptide binding and protein folding processes. The CABS model has been recently made available as the simulation engine of multiscale modeling tools enabling studies of protein-peptide docking and protein flexibility. Those tools offer customization of the modeling process, driving the conformational search using distance restraints, reconstruction of selected models to all-atom resolution and studies of large protein systems in a reasonable computational time. Therefore, CABS can be combined in integrative modeling pipelines incorporating experimental data and other modeling tools of various resolution.

Estimates of extreme water level return periods in river systems are crucial for hydraulic engineering design and planning. Recorded historical water level data of Taiwan’s rivers are not long enough for traditional frequency analyses when predicting extreme water levels for different return periods. In this study, the integration of a one-dimensional flash flood routing hydrodynamic model with the Monte Carlo simulation was developed to predict extreme water levels in the Danshuei River system of northern Taiwan. The numerical model was calibrated and verified with observed water levels using four typhoon events. The results indicated a reasonable agreement between the model simulation and observation data. Seven parameters, including the astronomical tide and surge height at the mouth of the Danshuei River and the river discharge at five gauge stations, were adopted to calculate the joint probability and generate stochastic scenarios via the Monte Carlo simulation. The validated hydrodynamic model driven by the stochastic scenarios was then used to simulate extreme water levels for further frequency analysis. The design water level was estimated using different probability distributions in the frequency analysis at five stations. The design high-water levels for a 200-year return period at Guandu Bridge, Taipei Bridge, Hsin-Hai Bridge, Da-Zhi Bridge, and Chung-Cheng Bridge were 2.90 m, 5.13 m, 6.38 m, 6.05 m, and 9.94 m, respectively. The estimated design water levels plus the freeboard are proposed and recommended for further engineering design and planning.

The article presents a multiphase numerical computational fluid dynamics (CFD) for simulating hydrothermal liquefaction of sewage sludge in a continuous plug-flow reactor. The discrete particle method (DPM) was used to analyze the solid particle interaction in liquid-solid high shear flows to investigated coupling computational fluid dynamics (CFD) and discrete phase model (DPM) method. Increasing solid particles interaction were observed with increasing liquid velocity. The study examined the influence of parameters such as flow rate, temperature and residence time on the efficiency of bio-oil production. Furthermore, the trajectories of the solid particles are affected significantly by the ash flow and the solid particle size, thus the trajectories of particles resembles the streamlines. A parametric study is performed to investigate the effect of slurry flow rate, temperature and external heat transfer coefficient on the biocrude oil productions performance. This simulation data will be used in the future to design and scale up a large-scale HTL reactor.

COS production is carried out enzymatically using chitosanase, but this process is expensive. Production costs can be reduced by using crude enzyme chitosanase, and the resulting COS has depolymerization < 20 and molecular weight < 3900 Da. Sources of crude enzyme chitosanase come from the soil, sediment, and fishery waste. Chitosanase is produced from bacteria and molds isolated from the source or direct isolation process for extracellular enzymes, especially from fishery waste. Microorganisms in the soil produce chitosanase as a biocontrol and self-defense agent. Bacteria and molds have been isolated, including Bacillus cereus, Bacillus mycoides, Paenibacillus sp., and Penicillium janthinellum. Fishery waste, especially parts of the digestive tract, is a source of chitosanase because of its relation to its nature and food, such as small fish, frogs, and several types of crustaceans. In addition, fishery waste can be used as a carbon and nitrogen source (C/N) in microorganism culture media. The chitin content becomes a stimulant for the synthesis of chitosanase by microorganisms. Crude enzyme chitosanase has an active site that hydrolyzes chitosan by breaking glycosidic bonds and producing glucosamine units (GlcN) and N-acetyl glucosamine (GlcNAc). This mechanism can take place through two events, namely inverting and retaining. Crude enzyme chitosanase can break glycosidic bonds, especially with the same groups, for example, bonds between glucosamine or N-acetyl glucosamine. The COS produced is of the partially acetylated COS (paCOS) type, which still contains an acetyl group. The degree of deacetylation is a significant factor in the resulting COS product, COS with the fully deacetylated COS (fdCOS) type of chitosan with a high degree of deacetylation. Other factors to consider are the raw material of chitosan, the incubation time, the screening process, and the production of microorganism cultures.

Monte Carlo Filtering (MCF) is one of the methods of Experimental Statistical Energy Analysis (E-SEA), which allows the correction of a negative LF (Loss Factor). In this article, a modification of the MCF method, called DESA (Diagonal Extension of the Search Area), is proposed. The technique applies a non-uniform extension of the search area when generating a population of normalized energy matrices. The degree of expansion of the search area is controlled by the Diagonal Penalty Factor (DPF). The authors demonstrated the method's effectiveness on a system that could not be identified in several frequency bands by the classical MCF method. After applying DESA, it was possible to fill in the problematic bands that were missing CLF and DLF values. The paper also proposes a way to minimize the errors introduced by using overly high DPF values.

The rational fabrication of low-dimensional materials with a well-defined topology and functions is an incredibly important aspect of nanotechnology. In particular, the on-surface synthesis (OSS) methods based on the bottom-up approach enable facile construction of sophisticated molecular architectures unattainable by traditional methods of wet chemistry. Among such supramolecular constructs especially interesting are surface-supported metal-organic networks (SMONs), composed of low-coordinated metal atoms and π-aromatic bridging linkers differing in size, shape and functionalization scheme. In this work, the lattice Monte Carlo (MC) simulation technique was used to extract the chemical information encoded in a family of Y-shaped positional isomers coadsorbed with trivalent metal atoms on a flat metallic surface with (111) geometry. For this purpose the investigated tritopic molecules/metal atoms were carefully mapped on a triangular lattice as interconnected/isolated segments with appropriatelly embedded anisotropic interactions. Depending on the intramolecular distribution of active centers (functional groups) within the simulated molecular bricks, we observed the metal-directed self-assembly of two-dimensional (2D) openwork patterns, aperiodic mosaics and metal-organic ladders. The obtained theoretical findings could be especially relevant for the scanning tunneling microscopy (STM) experimentalists interested in a surface-assisted construction of complex nanomaterials stabilized by directional coordination bonds.

In this paper the authors present a method which facilitates computationally efficient parameter estimation of dynamical systems from a continuously growing set of measurement data. It is shown that the proposed method, which utilises Sequential Monte Carlo samplers, is guaranteed to be fully parallelisable (in contrast to Markov chain Monte Carlo methods) and can be applied to a wide variety of scenarios within structural dynamics. Its ability to allow convergence of one's parameter estimates, as more data is analysed, sets it apart from other sequential methods (such as the particle filter).

This article delves into the complex landscape of Bitcoin halving events, analyzing the historical context and implications of these pivotal occurrences within the cryptocurrency ecosystem and on its sustainability within the landscape of financial technologies. Through an examination of past halving events in 2012, 2016, and 2020, this study meticulously scrutinizes the conditions and prices of Bitcoin before and after each halving. By synthesizing data and trends from previous events, this article aims to uncover patterns and insights that illuminate the impact of Bitcoin halving on market dynamics and sustainability, movement of the price level, reached peaks and price troughs. Furthermore, this research presents a comparative analysis of past halving events, drawing parallels and distinctions to elucidate the evolving nature of Bitcoin's price movements and market sentiment surrounding these milestone events. Looking towards the future, this study estimates predictions and expectations for the upcoming Bitcoin halving. By unraveling the intricate relationship between Bitcoin halving events and market behavior, this article seeks to provide a comprehensive understanding of the broader implications for Bitcoin's trajectory and the evolving landscape of the cryptocurrency market and its sustainability.

Bicycle transport stands at the forefront of sustainable mobility initiatives, a cornerstone of European Union policy. While support for cycling is crucial, its advancement hinges upon the presence of high-quality, secure infrastructure for cyclists. Safety emerges as a paramount concern, influencing the viability of cycling as a mode of transportation, yet its perception varies among user demographics. Considering this, this article endeavours to examine and contrast cycling infrastructure across various European nations, alongside analysing statistics pertaining to fatal traffic accidents involving cyclists. In our paper, we have chosen the Netherlands as a representative of building quality cycling infrastructure with many years of experience, and two countries that are developing conditions for cyclists, Slovakia and Poland. We have applied a correlation between the length of the transport infrastructure and the number of cyclists killed. The findings point to the substantial correlation between the quality of cycling infrastructure and the incidence of accidents. This correlation underscores the pressing need for robust infrastructure development and safety measures to bolster cycling as a safe and viable transportation option. We have employed the Shapiro-Wilk test for normal distribution to verify the input data and process the Pearson correlation to investigate the correlation between cycling infrastructure and road accident fatalities of cyclists.

The purpose of the study is to establish compliance of the design of the modernized car with the requirements for safe operation. An option has been proposed for upgrading a passenger wagon to a Mobile Diagnostic Complex for transporting a combined vehicle equipped with appropriate flaw detection equipment intended for rail diagnostics. The authors have established the most optimal option for locating the diagnostic vehicle on board the Mobile Diagnostic Complex (MDC) wagon, taking into account the additional load from the vehicle. To achieve this goal, the article developed a three-dimensional model of the supporting structure of the wagon body, proposed a methodology and presented the results of a study of the stress-strain state of the wagon body, taking into account the additional weight of the wagon. The article develops a methodology for studying the natural frequencies of vibrations of the wagon body and develops a three-dimensional model of the wagon for calculating dynamic indicators in the Universal Mechanism software package. Taking into account the previously carried out strength calculations, as well as in order to maintain the factory life cycle indicators of the supporting structure of the wagon body, it is recommended to use the model in the first version.

The profile of secondary metabolites occurring in apple cuticular layer is not only characteristic for particular apple cultivar, but also dynamically reflects various external factors in growing environment. In this study, the possibility to authenticate apple samples based on analysis of their cuticular layer extracts was investigated. Ultra-high-performance liquid chromatography coupled to high resolution tandem mass spectrometry (UHPLC-HRMS/MS) was employed for obtaining metabolomic fingerprints. In total, 274 authentic apple samples, four cultivars harvested within the seasons 2020 to 2022 in the Czech Republic and Poland were analysed. The generated complex data processed by univariate and multivariate statistical methods enabled to build classification models for discrimination of apple cultivars as well as their geographical origin. The models showed very good performance in differentiation of Czech and Polish samples for three of four cultivars: ‘Gala’, ‘Golden Delicious’ and ‘Idared’, moreover, the validity of the models was verified over harvest seasons. The diagnostic markers, besides metabolites of triterpene biosynthetic pathway, mainly represented wax esters. ‘Jonagold’, which is known to be susceptible to mutations, was the only cultivar for which the unambiguous classification of geographical origin was not possible.

This study examines geothermal energy extraction potential from the basement rock within the Denver-Julesburg (DJ) Basin, focusing on flow performance and heat extraction efficiency of different geothermal well configurations. It specifically compares U-Shaped, V-Shaped, Inclined V-Shaped, and Pipe-in-Pipe configurations against Enhanced Geothermal Systems (EGS) setups. Through numerical modeling, we evaluated the thermal behavior of these systems under various operational scenarios and fracture conditions. Results suggest that while closed-loop systems offer moderate temperature increases, EGS configurations show substantial potential for high-temperature extraction. This underscores the importance of evaluating well configurations in complex geological settings like the DJ Basin. The insights from this study aid in strategic geothermal energy planning and development, marking significant advancements in geothermal technology and setting a foundation for future explorations and optimizations.

The design complexity of the new generation of civil aero-engines results in higher demands on engines’ components, higher component temperature, higher heat generation, and, finally, critical thermal management issues. This paper will propose a methodological approach to create physics-based models for heat loads developed by sources as well as a systematic sensitivity analysis to identify the effects of design parameters on the thermal behaviour of civil aero-engines. The ranges and levels of heat loads generated by heat sources (e.g., accessory gearbox, bearing, pumps, etc.) and heat absorption capacity of heat sinks (e.g., engine fuel, oil, and air) are discussed systematically. The practical research challenges for thermal management system design and development for the new and next generation of turbofan engines will then be addressed through a sensitivity analysis of the heat load values as well as the heat sinks flow rates. The potential solutions for thermal performance enhancements of propulsion systems will be proposed and discussed accordingly.

Accurate treatment planning in radiotherapy essentially decreases secondary damage to healthy tissue surrounding the tumor. Due to plans to use a direct, highly collimated, narrow beam with high intensity to treat small area tumors, researchers have studied microbeam radiation therapy extensively. Using a synchrotron beam as the radiation source may help to limit secondary damage, but treatment planning using computerized simulations and dosimetry is still necessary to achieve optimal results. For this purpose, PDA-gel dosimeters were developed and their sensitivity around a 150 keV induced synchrotron X-ray radiation beam was examined via Monte Carlo simulations using the EGS5 code system. The microbeam development is now at the animal study stage. In this study, we simulate the irradiation of a rat's brain. The simulation results obtained spectra for two types of PDA-gel dosimeters that were compared with the spectrum obtained in a modelized brain tumor of a rat. Additionally, percentage depth dose curves were calculated for the brain tissue and the two gels. Correction equations for the dosimeters were obtained from the dose-difference plots. For further references, these equations can be used to calculate the actual dose in a brain tumor in a rat. The Monte Carlo simulations demonstrate that PDA-gel dosimeters can be used as a reference technique in planning treatment using synchrotron irradiations and in other medical treatment planning methods.

In this paper we report a new development on the numerical model for aluminum-steam combustion. This model is based on diffusion flame of continuum regime and the thermal equilibrium between the particle and the flow field, which can be used to calculate the aluminum particle combustion model for two phase calculation conditions. The model prediction is in good agreement with the experimental data. A new type of vortex combustor was proposed for the combustion of aluminum and steam, and the mathematical model of the two phase reacting flow with in this combustor was established. The turbulence effects are modeled using the Reynolds Stress Model (RSM) with Linear Pressure-Strain approach, and the Eddy-Dissipation model is used to simulate the gas phase combustion. Aluminum particles are injected into the vortex combustor and form a swirling flow around the chamber and their trajectories are traced using the Discrete Phase Model (DPM). The simulation results show that the vortex combustor can achieve high efficient combustion of aluminum and steam. The influencing factors, such as the eccentric distance of the inlet of aluminum particles, particle size and steam inlet diameter, etc., are studied. The work described in this paper represents an attempt to the design of a vortex combustor in order to increase aluminum combustion efficiency.

: Tunnel instability and lining integrity are intimately tied to the creep properties of the surrounding rock. The acquisition of rock mass creep parameters is critical in ascertaining the appropriate timing for lining construction. Nevertheless, creep tests on rock specimens conducted in a controlled setting cannot be straightforwardly extrapolated to rock mass creep analysis. This study performs laboratory-based creep tests on mudstone samples and establishes the corresponding creep constitutive model. Integration of a Mohr-Coulomb element with the Burgers model in series serves to characterise the yield creep behaviour of the rock mass. Additionally, the research outlines a series of 100 orthogonal experiments utilising randomised creep parameters, and formulates a GA-BP neural network inversion model. Employing long-term deformation measurements from the crown and sidewalls of the project site, this study deduces the creep parameters of the mudstone in the investigated tunnel section and examines the prolonged deformation traits of the surrounding rock. Drawing on the deformation traits of the surrounding rock and the forces impacting the primary support and lining structures, this paper evaluates the earliest and latest viable lining casting periods and pinpoints an optimal timing interval for lining implementation. The methodologies employed herein can serve as a benchmark for analogous endeavors internationally.

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

I deal with perception and action (e.g. movements) using results from Synergetics, a comprehensive mathematical theory of the selforganized formation ("emergence“) of spatial, temporal, or functional structures in complex systems. I illustrate basic concepts such as order parameters (ops), enslavement, complexity reduction, circular causality first by examples of well known collective, spontaneous modes of human behavior such as rhythmic clapping of hands etc., and then by face recognition. The role played by ops depends on context. In the case of face (or pattern) recognition an op represents the concept of an individual face (action of mind) and it enslaves the action (firing rates) of neurons (body). This insight allows me to interpret syndroms as order parameters playing their mind/body double role. I present criteria for the identification of ops and discuss their general properties including error correction and "remedy“ of deficiencies. Contact is made with a recent paper by Sabine Koch on embodied aesthetics. My approach includes the saturation of attention at various time scales (ambiguous figures/fashion). Adopting a psychological perspective, I discuss some ingredients of beauty such as proportionality and symmetry, but also the importance of irregularities.

The process involved in preparing driving simulator tests is a labor intensive one, and the nature of this complexity depends on the sophistication of the tests to be carried out, as well as the number of participants. Which has an impact on the duration of the research itself. The very solution of using driving simulators is a research tool that has been in use for many years and with great success. They are used in a very wide range of areas of human functioning. They replicate in a very realistic way the conditions that can occur in the external environment, offer the possibility of repetition of particular conditions and insight into certain behaviors that could be very difficult to initiate in real life. This article also describes the dis- ease of using simulators to conduct research activities, along with the workflow from assumptions to finalizing the research. An algorithm is also presented for the study of individual participants, with examples for separate research scenarios concerning driver behavior in the vicinity of pedestrian crossings.

The majority of existing numerical simulations of the effect of bridge piers on water movement are based on a limited number of bridge piers at a laboratory scale. Furthermore, some 2D numerical simulations for actual bridge projects have deficiencies, including the use of overly large mesh sizes and an inadequate treatment of bridge piers. In this study, we compare three methods of structural mesh encryption, suspension mesh, and nonstructural mesh based on Delft3D, and apply the optimization scheme to a real bridge project. It is demonstrated that optimal results can be achieved by utilising a grid size comparable to the pier diameter (Dp) in the region away from the piers. In the vicinity of the piers, the grid cell size should be no larger than 1/9 Dp. The suspended grid technique (DD Boundary) can yield results consistent with those obtained using a full-area high-resolution grid, provided that the total number of grids can be reduced and the computational time is considerably reduced. In this study, the unstructured mesh (Deflt3D Flexible Mesh) scheme was unable to capture the oscillations of the wake flow behind the bridge piers. However, the application of the optimized scheme in bridge engineering has demonstrated its practical value. The findings of this study on mesh resolution and suspension mesh scheme can be applied to the Delft3D software and are also useful for other numerical simulation work.

We report the results of the characterization of local Monte Carlo (MC) dynamics of an equilibrium bond fluctuation model polymer matrix (BFM), in time interval typical for MC simulations of non-linear optical phenomena in host-guest systems. The study contributes to the physical picture of the dynamical aspects of quasi-binary mosaic states characterized previously in the static regime. The polymer dynamics was studied at three temperatures (below, above and close to the glass transition), using time-dependent generalization of the static parameters which characterize local free volume and local mobility of the matrix. Those parameters play the central role in the kinetic MC model of host-guest systems. The analysis was done in terms of the probability distributions of instantaneous and time-averaged local parameters. The main result is the characterization of time scales characteristic of various local structural processes. Slowing down effects close to the glass transition are clearly marked. The approach yields an elegant geometric criterion for the glass transition temperature. A simplified quantitative physical picture of the dynamics of guest molecules dispersed in BFM matrix at low temperatures offers a starting point for stochastic modeling of host-guest systems.

The presented results of simulations take into account the optical parameters of the selected sea region (from literature data on the southern Baltic Sea) and two optically extreme types of crude oil (from historical data) which exist in the form of a highly diluted oil-in-water emulsion (10 ppm). The spectral index was analyzed based on the results of modelling the radiance reflectance distribution for almost an entire hemisphere of the sky (zenith angle from 0 to 80o). The spectral index was selected and is universal for all optically different types of oil (wavelengths 650 and 412 nm). The possibility of detecting pollution in the conditions of the wavy sea surface (as a result of wind of up to 10 m/s) was studied. It has been also shown that if the viewing direction is close to a direction perpendicular to the sea surface, observations aimed at determining the spectral index are less effective than observation under the zenith angle of incidence of sunlight for all azimuths excluding the direction of sunlight specular reflection.

The control of the fine particle emission from the coal-fired power plants has been a big challenge in china. Either the conventional electrostatic precipitator or the fabric filter has some shortages. The electrostatic precipitator is hard to keep high efficiency for the submicron particles. The fabric filter could keep high efficiency but with very high pressure drop. One solution is to combine them together. Several types of hybrid particle collectors (HPC) combining the electrostatic precipitator and the fabric filter together have been developed and applied in a number of projects in China. In recent years, numerical simulation technology has been widely used in the design of the collectors. In this paper, an unsteady numerical model is used to investigate the particle deposition characteristics in a scale hybrid collector. The fluid field is modeled by using incompressible Navier-Stokes equations with the RNG turbulence equations. The corona discharge is solved by using a finite volume method. The particle charging is modeled by using a filed-diffusing combined model. And an unsteady cake formation model is used to simulate the filtration process.

In this paper, we first discuss the research status and application progress of the finite element method and the smoothed particle method. By analyzing the advantages of the smoothed particle method and the finite element method, a new coupling algorithm, namely FEM-SPH algorithm, is proposed. By the method of comparison, it shows that finite element method and SPH method in the simulation of large deformation problems each have advantages and disadvantages, the finite element method smoothed particle coupling algorithm is effective to achieve the performance of high computational efficiency and can naturally simulate large deformation problems across. In the process of calculation, the large deformation unit can be freely into an algorithm to facilitate the calculation accuracy and efficiency of three methods of numerical simulation. Through the study found, FEM-SPH algorithm not only overcome the defect of smooth particle tensile instability, but also overcomes the problem of low efficiency of finite element computation. To further test the FEM-SPH algorithm has advantages in the practical engineering, we have carried out the actual test to the example of the super high speed collision, concluded that, since the target of most of the computational domain is always finite element, smoothed particle focused only in contact with the projectile and target of local area, particle number is not much, the whole calculation process just ten minutes, computational efficiency has been greatly improved, at the same time in the simulation of large deformation, the advantage is very obvious .This provides a criterion for the actual project, depending on the specific material deformation mode and choose a more appropriate conversion algorithm.

Plant cells' ability to withstand abiotic stress is strongly linked to modifications in their mechanical characteristics. Nevertheless, the lack of a workable method for consistently tracking plant cell mechanical properties severely restricts our comprehension of the mechanical alterations in plant cells under stress. With Polyethylene Glycol (PEG6000), we created a drought-like environment, and we used the Double Resonator Piezoelectric Cytometry (DRPC) method to dynamically and non-invasively track changes in the stress (ΔS) created and viscoelasticity (storage modulus G' and loss modulus G") of protoplasts and suspension cells of rice during drought stress. The findings demonstrate that, rice suspension cells and protoplasts react mechanically differently to 5%–15% PEG6000 stress, implying distinct resistance mechanisms. However, neither of them can withstand 25% PEG6000 stress, they respond mechanically similarly to 25% PEG6000 stress. The results of DRPC are further corroborated by the morphological alterations of rice cells and protoplasts observed under an optical microscope. To sum up, the DRPC technique functions as a precise cellular mechanical sensor and offers novel research tools for the evaluation of plant cell adversity and differentiating between the mechanical reactions of cells and protoplasts under abiotic stress.

In this paper, we study the black hole solution of self-similar gravitational collapse in the Einstein-axion-dilaton system for the elliptic class in four dimensions. The solution is invariant under space-time dilation, which is combined with internal SL(2,R) transformations. Due to the complex and highly nonlinear pattern of the equations of motion in the physics of black holes, researchers typically have to use various numerical techniques to make the equations tractable to estimate the parameters and the critical solutions. To this end, they have to ignore the numerical measurement errors in estimating the parameters. To our knowledge, for the first time in the literature on axion-dilation systems, we propose to estimate the critical collapse functions in a Bayesian framework. We develop a novel methodology to translate the modelling of the complexity of the elliptic black hole to a sampling problem using Hamiltonian Monte Carlo with stacked neural networks. Unlike methods in the literature, this probabilistic approach enables us not only to recover the available deterministic solution but also to explore possibly all physically distinguishable self-similar solutions that may occur due to numerical measurement errors.

Numerical modeling of sedimentation and erosion in reservoirs is an active field of reservoir research. However, simulation of bed-load transport phenomena has rarely been applied to other water bodies, in particular, the fluctuating backwater area. This is because the complex morphological processes between hydrodynamics and sediment transport are generally challenging to accurately predict. In this study, the refinement and application of a two-dimensional shallow-water and bed-load transport model to the fluctuating backwater area is described. The model employs the finite volume method of the Godunov scheme and saturated sediment transport equations. The model was verified against experimental data of a scaled physical model. It was then applied to actual reservoir operation, including reservoir storage, reservoir drawdown and continuous flood process, to predict the morphology of reservoir sedimentation and sediment transport rates and bed level changes in the fluctuating backwater area. It was found that the location and morphology of sedimentation effected by the downstream water level results in random evolution of the river bed, and bed-load sedimentation is transported from upstream to downstream with the slope of the longitudinal section of the river bed generally reduced. Moreover, the sediment is mainly deposited in the main channel and the elevation difference between the riverbank and channel decreases gradually.

Nowadays, the uses of laser and optics in the medical areas are extremely vivid, especially low-level laser therapy. The light with the wavelength of 633 nm to 1200 nm could penetrate and propagate deep in biological tissue. To develop the low-level laser therapy device, optimizing light delivery is critical to accurately stimulate the biological effects inside the biological tissue. Nevertheless, each form of the tissues at each zone on the body had various refractive optic, absorption, scattering, and anisotropy coefficients. This paper describes the simulation results of low-level laser propagation from skin surface at the lower spine, the knee, the femur and the prostate gland with four wavelengths (633 nm, 780 nm, 850 nm, and 940 nm) by the Monte Carlo method. These simulation results are the base for developing the low-level laser therapy device, that could be used in clinical for treating the fracture, knee osteoarthritis, spinal degeneration, and benign prostatic hypertrophy.

Advanced Finite Element (FE) modeling and simulations were performed on vehicular crashes into a Three-bar Metal Bridge Rail (TMBR). The FE models of a sedan, a pickup truck, and a TMBR section were adopted in the crash simulations subject to Manual for Assessing Safety Hardware (MASH) Test Level 2 (TL-2) and Test Level 3 (TL-3) requirements. The test vehicle models were first validated using full-scale physical crash tests conducted on a two-bar metal bridge using a sedan and a pickup truck with similar overall physical properties and sizes to their respective vehicles used in the simulations. The validated vehicular models were then used to evaluate the crash performance of the TMBR using MASH Evaluation Criteria for structural adequacy, occupant risk, and post-impact trajectory. The TMBR met all MASH TL-2 requirements but failed to meet the MASH TL-3 Criteria H and N requirements when impacted by the sedan. The TMBR was also evaluated under in-service conditions (behind a 1.52-m wide sidewalk) and impacted by the sedan under MASH TL-3 conditions. The simulation results showed that the TMBR behind a sidewalk met all safety requirements except for the occupant impact velocity in the longitudinal direction, which exceeded the MASH limit by 3.93%.

COVID-19 transmission models have conferred great value in informing public health understanding, planning, and response. However, the pandemic also demonstrated the infeasibility of basing public health decision-making on transmission models with pre-set assumptions. No matter how favourably evidenced when built, a model with fixed assumptions is challenged by numerous factors that are difficult to predict. Ongoing planning associated with rolling back and re-instituting measures, initiating surge planning, and issuing public health advisories can benefit from approaches that allow state estimates for transmission models to be continuously updated in light of unfolding time series. A model being continuously regrounded by empirical data in this way can provide a consistent, integrated depiction of the evolving underlying epidemiology and acute care demand, offer the ability to project forward such a depiction in a fashion suitable for triggering the deployment of acute care surge capacity or public health measures, support quantative evaluation of tradeoffs associated with prospective interventions in light of the latest estimates of the underlying epidemiology. We describe here the design, implementation and multi-year daily use for public health and clinical support decision-making of a particle filtered COVID-19 compartmental model, which served Canadian federal and provincial governments via regular reporting starting in June 2020. The use of the Bayesian Sequential Monte Carlo algorithm of Particle Filtering allows the model to be re-grounded daily and adapt to new trends within daily incoming data – including test volumes and positivity rates, endogenous and travel-related cases, hospital census and admissions flows, daily counts dose-specific vaccinations administered, measured concentration of SARS-CoV-2 in wastewater, and mortality. Important model outputs include estimates (via sampling) of the count of undiagnosed infectives, the count of individuals at different stages of the natural history of frankly and pauci-symptomatic infection, the current force of infection, effective reproductive number, and current and cumulative infection prevalence. Following a brief description of model design, we describe how the machine learning algorithm of particle filtering is used to continually reground estimates of dynamic model state, support probabilistic model projection of epidemiology and health system capacity utilization and service demand and probabilistically evaluate trade-offs between potential intervention scenarios. We further note aspects of model use in practice as an effective reporting tool in a manner that is parameterized by jurisdiction, including support of a scripting pipeline that permits a fully automated reporting pipeline other than security-restricted new data retrieval, including automated model deployment, data validity checks, and automatic post-scenario scripting and reporting. As demonstrated by this multi-year deployment of Bayesian machine learning algorithm of particle filtering to provide industrial-strength reporting to inform public health decision making across Canada, such methods offer strong support for evidence-based public health decision making informed by ever-current articulated transmission models whose probabilistic state and parameter estimates are continually regrounded by diverse data streams.

Salidroside, a valuable phenylethanoid glycoside, is obtained from plants belonging to the Rhodiola genus, known for its diverse biological properties. At present, salidroside is still far from large-scale industrial production due to the lower titer and higher process cost. In this study, we constructed a biosynthetic pathway from L-tyrosine to salidroside in Saccharomyces cerevisiae. To increase sali-droside production, we for the first time constructed an in vivo UDP-glucose regeneration system that sucrose synthase GmSUS worked in conjunction with UDP-glucose transferase RrUGT33 to improve the UDP-glucose availability with inexpensive sucrose as the consumed substrate. Finally, the molar conversion rate of L-tyrosine could reach 95%. To further reduce the cost, co-culture with E. coli that synthesized L-tyrosine de novo resulted in an 81% reduction in the final substrate cost per 1 kg of salidroside compared to the initial cost. The final titer of salidroside obtained 3.8 g/L and was the highest titer achieved at the Shake-Flask-Level in the existing reports. And this marked the first successful synthesis of salidroside in an in situ enhanced UDP-glucose system using sucrose. This accomplishment laid a robust groundwork for further investigations into the synthesis of other notable glycosides and natural compounds.

The fractional advection-dispersion equation FADE plays an important role, especially in explaining the process of solute-transport in natural porous media with different degrees of heterogeneity. However, studies of the flow and transport of contaminants in the underground environment are based on the knowledge of many functional parameters of the subsoil. The delay factor caused by nonlinear absorption is one of these parameters inheriting significant ambiguities in its estimation in heterogeneous media. In the study, a fractional advection-dispersion FADE model was developed by the implicit Euler method, based on a Grunwald and Caputo-Liousville approximation to explicitly evaluate and simulate the transport mechanism of contaminants in media with unsaturated porous materials subjected to a nonlinear sorption model. Better solute mass retention was observed for fractional advection-dispersion FADE model. Moreover, the absorption parameter of the retardation coefficient has a better impact on the motion of the solute in a saturated porous medium. In other words, it has a significant effect on the dispersion of pollutants in aquifers. This study highlights the need to characterize the aquifer to predict solute transport in porous media.

Electrical contacts are important circuit components with diverse industrial applications, and their failure can lead to multiple unwanted effects. Hence, the behavior of electrical contacts is a widely studied topic in scientific literature based on various approaches, tools, and techniques. The present study proposes a numerical modeling and simulation approach based on the Holm contact theory to study the dependence between the electric potential and the temperature within an electrical contact. Structured in 5 sections, the research was conducted using COMSOL Multiphysics software and its solid-state mechanics, electric current, and heat transfer modules in order to highlight contact behavior from mechanical, electrical and thermal points of view: the von Mises stress, contact force, the electric field amplitude, the variation of the electrical potential along the current path, the temperature gradient, and dependence of temperature along the contact elements edges were obtained by simulation and graphically represented. The results are in line with the expectations and with past research that was studied in the literature review.

X-ray fluorescence is largely employed in the measurement of the thickness of coatings. Despite of its diffusion, the task is not straightforward because of the complex physics involved that results in high dependence on matrix effects. Thickness quantification is in practice accomplished using the Fundamental Parameters approach, adjusted with empirical measurements of standards with known composition and thickness. This approach has two major drawbacks: i) there are no standards for any possible coating and coating architecture and ii) even relying on standards, the quantification of unknown samples requires the precise knowledge of the matrix nature (e.g., in case of multilayer coatings the thickness and the composition of each underlayer). In this work, we describe a semiquantitative approach to coatings thickness measurement based on the construction of calibration curves through simulated XRF spectra built with Monte Carlo simulations. Simulations have been performed with the freeware software XMI-MSIM. We have assessed the accuracy of the methods by comparing the results with those obtained by i) XRF thickness determination with standards and ii) FIB-SEM cross-sectioning. Then we evaluated which parameters are critical in this kind of indirect thickness measurements.

A method based on ultra performance liquid chromatography with diode array detector (UPLC-DAD) was developed for quantitative analysis of five active compounds and chemical fingerprint analysis of Rosa rugosa. Ten batches of Rosa rugosa collected from different plantations in the Xinjiang region of China were used to establish the fingerprint. The feasibility and advantages of the used UPLC fingerprint were verified for its similarity evaluation by systematically comparing chromatograms with professional analytical software recommended by State Food and Drug Administration (SFDA) of China. In quantitative analysis, the five compounds showed good regression (R²=0.999 5) within the test ranges and the recovery of the method was in the range of 94.2–103.8%. The similarities of the fingerprints of 10 batches of the samples were more than 0.981. The developed UPLC fingerprint method is simple, reliable and validated for the quality control and identification of Rosa rugosa. Additionally, simultaneous quantification of five major bioactive ingredients in the Rosa rugosa samples was conducted to interpret the consistency of the quality test. The results indicated that the UPLC fingerprint as a characteristic distinguishing method combining similarity evaluation and quantification analysis, can be successfully used to assess the quality and to identify the authenticity of Rosa rugosa.

In the recent years, tubular nanostructures have been related with immense advances in various fields of science and technology. Considerable research efforts have been centered on the theoretical prediction and manufacturing of non-carbon nanotubes (NTs), which meet modern requirements for the developing of novel devices and systems. In this context, diatomic inorganic nanotubes formed by atoms of elements from the 13th group of the periodic table (B, Al, Ga, In, Tl) and nitrogen (N), have received much research attention. In the present work, the elastic properties of single-walled boron nitride, aluminium nitride, gallium nitride, indium nitride and thallium nitride nanotubes were numerically evaluated using the nanoscale continuum modelling approach (also called molecular structural mechanics). The elastic properties (rigidities, surface Young´s and shear moduli, and Poisson´s ratio) of nitride nanotubes are discussed with respect to the bond length of the corresponding diatomic hexagonal lattice. The results obtained contribute to a better understanding of the mechanical response of nitride compound-based nanotubes, covering a broad range from the well-studied boron nitride NTs to the hypothetical thallium nitride NTs.

Ionic liquids have been recognised as interesting solvents applicable in the efficient lignocellulosic biomass valorisation, especially in the biomass fractionation into individual polymeric components or direct hydrolysis some of biomass fractions. Considering the chemical character of ionic liquids, two different approaches, paved the way for a fractionation of biomass. The first strategy integrated a pre-treatment, hydrolysis and conversion of biomass through the employment of hydrogen-bond acidic 1-ethyl-3-methyimidazolim hydrogen sulfate ionic liquid. The second one relied on the use of a three-step fractionation process with hydrogen-bond basic 1-ethyl-3-methylimidazolium acetate to produce high purity cellulose, hemicellulose and lignin fractions. The proposed approaches were scrutinised for wheat straw and eucalyptus residues. Those different biomasses allowed understanding that enzymatic hydrolysis yields are dependent on the crystallinity of pre-treated biomass. The use of acetate based ionic liquid allowed to change crystalline cellulose I to cellulose II and consequently enhanced glucan to glucose yield to 93.14.1 mol% and 82.91.2 mol% for wheat straw and eucalyptus, respectively. Whereas for hydrogen sulfate ionic liquid, the same enzymatic hydrolysis yields were 61.6  0.2 mol% for wheat straw and only 7.90.3 mol% for eucalyptus residues. These results demonstrate the importance of either ionic liquid character or biomass type on the efficient biomass processing.

The engagement of the arresting hook with the arresting cable is a critical maneuver that is essential to the safe operation of aircraft landing on aircraft carrier. A comprehensive understanding of the engagement process dynamics is necessary to optimize landing performance and ensure the safety and efficiency of carrier operations. In this paper, an efficient and accurate simulation and analysis method is presented for studying the arresting hook engaging arresting cable process. The Finite Element Method and Multibody Dynamics (FEM-MBD) approach is employed. By establishing a rigid-flexible coupling model encompassing the aircraft frame, arresting hook, carrier deck and arresting gear system, the dynamic model for the engagement process is obtained. The model incorporates multiple coordinate systems to effectively capture the relative motion between the rigid and flexible components, enabling a thorough understanding of the dynamics characteristics. The analysis conducted in this paper takes into account various factors, including the material properties of the components, the characteristics of the arresting gear system, and the state of the aircraft during the engagement process. The analysis method is verified by comparing the simulation results with experiments of arresting hook rebound obtained from reference. Finally, simulations are performed to analyze the engagement process under different touchdown points and rolling angle of aircraft. The simulation results provide valuable insights into the distribution of stresses during the arresting hook and cable engagement, the center of gravity variations, as well as the response of the tire touch and rollover cable under specific scenarios. The proposed rigid-flexible coupling arresting dynamics model in this paper enables effective analysis of the dynamic behavior during arresting hook engaging arresting cable. The results obtained from this analysis offer valuable insights into the performance of the engagement process, which can be used to improve the design of carrier-based aircraft and techniques for carrier landing.

The objective of this study is to investigate the use of excavation behavior prediction and analysis software in the field of civil en-gineering. PLAXIS and SoilWorks, widely used in the engineering and academic communities, were employed as research tools for analyzing gravel layers and deriving appropriate ranges of soil elastic modulus for different software programs. By collecting excavation cases in the Xindian area of New Taipei City, Taiwan, and conducting deep excavation analysis using the displacement of retaining walls, this study provides recommended ranges for localized selection of soil elastic modulus. The suggested range for PLAXIS is 7,840 N/m² to 9,800 N/m², while Soil-Works suggests a range of 2,450 N/m² to 3,430 N/m². These ranges allow for reasonable estimation of maximum deformations during the final excavation stage. Based on the research findings, it is recommended that engineers refer to the provided ranges when selecting soil elastic modulus for excavation analysis in gravel layers using different soft-ware programs in the Xindian area of Taiwan to improve the accuracy of deformation predictions during the final excavation stage. These results serve as important references for engineers and contribute to the effective prediction and management of excavation behavior in civil engineering projects.

The calculation and visualization of the dose field in the decommissioning of nuclear facilities is one of the important functions of the decommissioning virtual simulation system, which can provide accurate and intuitive radiation field distribution and play an important role in determining the demolition plan and protecting personnel during the engineering implementation process. This article investigates the development of dose field calculation and visualization in the reactor decommissioning virtual simulation systems, and preliminarily proposes a technical plan suitable for the development of the decommissioning dose field calculation and visualization display programs for the first Heavy Water Research Reactor (HWRR) in China. Besides, the applicability of the selected scheme is analyzed, the functional requirement and development direction of the HWRR reactor decommissioning dose field calculation and visual display module are preliminarily determined. Furthermore, the reactor vessel of HWRR reactor is modeled and the dose field distribution was calculated and visualized. This research can provide technical support for the development of the decommissioning simulation system for the first HWRR reactor in China.

With the growth of air traffic demand in busy airspace, there is an urgent need for airspace sectorization to increase air traffic throughput and ease the pressure on controllers. The purpose of this paper is to develop a method framework that can perform airspace sectorization automatically, reasonably, which can be used as an advisory tool for controllers as an automatic system, especially for eliminating irregular sector shapes generated by simulated annealing algorithm (SAA) based on region growth method. Two graph cutting method, dynamic Monte Carlo method by changing location of flexible vertices (MC-CLFV) and Monte Carlo method by radius changing (MC-RC) were developed to eliminating irregular sector shapes generated by SAA in post-processing. The experimental results show that the proposed method framework of AS can automatically and reasonably generate sector design schemes that meet the design criteria. Our methodology framework and software can provide assistant design and analysis tools for airspace planners to design airspace, improve the reliability and efficiency of airspace design, and reduce the burden of airspace planners. In addition, this lays the foundation for reconstructing airspace with more intelligent method.

CoCrFeNiMn high-entropy alloy coatings were prepared on compacted graphite iron（CGI） through plasma cladding to strength the CGI substrate. The effects of heat treatment temperatures and times on the microstructure and mechanical properties of the CoCrFeNiMn coatings were investigated. After heat treatment, a single FCC phase was remained in the coating as compared to the deposited one, with smaller dendrites, larger dendritic spacing and more Cr-rich compounds precipitated between dendrites. The coatings’ microhardness was increased after heat treatment. After heat treated at 660°C for 90 minutes, the coating had the highest microhardness of 563±6.9 HV0.2, the lowest frictional coefficient of 0.71 and the smallest wear mass loss of 1.12 mg, and it had the best wear resistance.

With the ongoing amendment of the EU legislation on the treatment of urban wastewater, stricter requirements for the removal of pollutants are expected, which calls for the need for innovative wastewater treatment technologies. Biological systems are still the first choice. The survey of typical bioreactors applied in wastewater treatment is presented. Wastewater treatment objective, bio-chemical environment and microbial growth are selected as a main criterion for classification of these bioreactors. Hydraulic and kinetic aspects are considered, advantages and drawbacks of these bioreactors regarding the selection of appropriate type of the reactor as well as regarding operation of reactors are mentioned. The aim of this paper is to provide operators and designers with a brief overview of selected traditional and advanced processes, reactors, and technologies for nutrient removal from municipal wastewater. Another goal is to discuss the possibilities and limitations to comply with more strict effluent standards. From the evaluation of the published papers, it follows that the currently applied traditional methods of nutrients removal have the potential to convey also with the expected stricter limits.

Pyrethroid pesticides (PYRs) as the third most widely used pesticides, following organophosphorus and carbamate pesticides, which are of significant importance in the analysis and detection of vegetables. However, the current pretreatment technology for PYRs confronts challenges of difficult separation and low enrichment efficiency, resulting in a cumbersome and time-consuming pretreatment process with poor selectivity. Here, a simple and efficient magnetic solid-phase extraction (MSPE) strategy was developed to simultaneously purify and enrich five PYRs in vegetables, with the magnetic covalent organic framework nanomaterial COF-SiO2@Fe3O4 as an adsorbent. The COF-SiO2@Fe3O4 was prepared by a simple solvothermal conditions method, using Fe3O4 as magnetic core, benzidine and 3,3,5,5-tetraaldehyde biphenyl as two building units. COF-SiO2@Fe3O4 could effectively capture the targeted PYRs by virtue of its abundant π-electron system and hydroxyl groups. The impact of various experimental parameters on extraction efficiency was investigated to optimize the MSPE conditions, including adsorbent amount, extraction time, elution solvent type and elution time. Subsequently, method validation was conducted under the optimal conditions in conjunction with gas chromatography-mass spectrometry (GC-MS). Within the range of 5.00–100 μg·kg-1 (1.00–100 μg·kg-1 for bifenthrin and 2.5–100 μg·kg-1 for fenpropathrin), the five PYRs exhibited a strong linear relationship, with determination coefficients ranging from 0.9990 to 0.9997. The limits of detection (LODs) were 0.3–1.5 μg·kg-1, and the limits of quantification (LOQs) were 0.9–4.5 μg·kg-1. The recoveries were 80.2–116.7% with relative standard deviations (RSDs) below 7.0%. Finally, COF-SiO2@Fe3O4, NH2-SiO2@Fe3O4 and Fe3O4 were compared as MSPE adsorbents for PYRs. The results indicated that COF-SiO2@Fe3O4 was an efficient and rapid selective adsorbent for PYRs. This method holds promising prospects for the determination of PYRs in real samples.

Based on screening in computational biology and biological in vitro assays, five natural products isolated from extracts of the herbal medicine toad skin, such as cinobufagin (CBFi), bufalin (BFi), arenobufagin (ABFi), telocinobufagin (TBFi), bufotalin (BFTi), were subjected to molecular docking calculations with the use of SARS-CoV-2 main protease (PDB 6LU7 and 7BTF) and top-scoring ligand-receptor complexes were obtained. The results showed that the binding energy of ABFi to the 3CL protein was -17.044kcal/mol, which was higher than CBFi and TBFi. However, the binding energy of ABFi to the RdRp protease was -23.250 kcal/mol, which was much lower than that of CBFi and TBFi, EVEN lower than that of ABFi to the 3CL protein. ABFi also has polar interactions with amino acids such as Glu811, Ser814, Ser681 and Thr680 of RdRp enzyme. The results revealed that ABFi had a moderate inhibitory effect on the cell proliferation of SARS-CoV-2 in vitro, with an inhibition rate of 61.12%, even weaker than Remdesivir. This new discovery provides us with new ideas for in-depth studies on the development of natural products with this class of structural generalizations as inhibitors of SARS-CoV-2, and provides an experimental basis for the next step of mechanistic studies.

The aim of this work is to introduce a mathematical model representing the evolution of the temperature in a vegetation cover and the ground underneath it. Vegetation, and its interaction with soil, plays a very important role in the protection of soil surface from the action of sun and precipitations. A reduction in the vegetated mass increase the risk of desertification, soil erosion or surface runoffs which which can give rise to soil loss and sediment retention. These processes can favour climate change and global warming, which are major concerns nowadays. The mathematical model presented takes into account the main processes involved in vegetation cover and the interaction with the soil, among which, we can mention the Leaf Area Index, which is a dimensionless quantity defined as the one-sided green leaf area per unit ground surface area, or albedo and co-albedo which are clearly influenced by the vegetation. It is also considered a nonlinear heat capacity in the soil which incorporates the latent heat of fusion, when the phase change takes place. The numerical technique used to solve the mathematical model is based on a finite volume scheme with Weighted Essentially Non Oscillatory technique for spatial reconstruction and the third order Runge-Kutta Total Variation Diminishing numerical scheme is used for time integration. Some numerical examples are solved to obtain the distribution of temperature both in the vegetation cover and the soil.

This article is devoted to Feller's diffusion equation which arises naturally in probabilities and physics (e.g. wave turbulence theory). If discretized naively, this equation may represent serious numerical difficulties since the diffusion coefficient is practically unbounded and most of its solutions are weakly divergent at the origin. In order to overcome these difficulties we reformulate this equation using some ideas from the Lagrangian fluid mechanics. This allows us to obtain a numerical scheme with a rather generous stability condition. Finally, the algorithm admits an elegant implementation and the corresponding Matlab code is provided with this article under an open source license.

Cars are a highly inefficient mode of urban transport with significant negative impacts. Electric vehicles make it possible to eliminate direct CO2 emissions (though the total over a vehicle’s entire life cycle greatly offsets the advantages) but leave unchanged – or even aggravate – all the other negative effects on the quality of urban environments. Three visions for urban transport were presented: automobility, multimodality and accessibility. The first dominates North American cities, the second European one. The anomalies of these two visions have been examined. The automobility cities cannot manage the congestion and the attempts are self- defeating. The anomalies of multimodality city are related to the public space consumption for mobility and the impossibility to plan spatial proximity. The sustainable vision, that resolve the anomalies, is represented by the accessibility city in the Triple Access System (TAS) version which, however, still has a long way to go to be accepted and implemented.

The article presents investigations of rail vehicle bogie of Y25 type. The Y25 bogie family is one of the most commonly used freight car bogie designs. In addition to several significant advantages characterising this design, it also has several disadvantages observed since the beginning of more than fifty years of operation in several types of cargo vehicles. One of these defects observed in real systems is "unsatisfactory running stability", particularly at long straight tracks. The article used commercial engineering software VI-Rail to create a model of the gondola car (type 412W Eaos) with two Y25 bogies. The car model was tested empty and loaded (maximum permissible load). Motion along straight and curved tracks with different radii values was analysed. The vehicle velocity was changed from a few m/s to the maximum values for which stable solutions of the model existed. For each route, a non-linear critical velocity was determined, defining the maximum operating velocity of the modelled car. The model solutions were recorded, while just one was selected to present the results - the first wheelset lateral displacement ylw. The opinion about the "imperfect running quality" in curved tracks was confirmed. The possible appearance of self-exciting wheelset vibrations in the modelled car's operating velocity range in the laden state was also observed. The research results on the impact of the bogie suspension parameters change on the vehicle model stability are presented. The crucial parameter in the bogie suspension was indicated. Reducing its value by several percent about the nominal value increases the critical velocity of the car to values higher than the maximum operating velocity of the modelled vehicle.

This paper delves into the application of digital twin monitoring techniques for enhancing offshore floating wind turbine performance, with a detailed case study. We explore the practical implementation of digital twins and their efficacy in optimizing operations and predictive maintenance. Our findings emphasize digital twins' potential as a valuable tool for renewable energy, driving efficiency and sustainability in offshore floating wind installations.

Addressing the significant challenge in high-speed cotton dibbling operations in Xinjiang—specifically, the duck bill’s ("Duck bill" is a type of duck-billed bunch planting mechanism or component). shortened opening duration leading to seed throwing and floating—a new crawler-type delayed hole-forming mechanism has been designed. This mechanism extends the duck bill horizontally, thereby prolonging its opening time, enabling cotton sowing speeds of up to 6 km/h. Following agronomic principles for cotton planting, the overall layout of the crawler-type hole-forming mechanism, the structural parameters of the key components and the trajectory of the hole-forming are determined. We use the Discrete Element Method (DEM) and multi-body dynamics coupling method to simulate and analyze the motion process of the device. The fixed the tilt angle of the duck bill α(A), the depth of the duck bill hole-forming into the soil h(B), and the angle of rotation of the moving duck bill β(C) were taken as the experimental factors, with the longitudinal length of cotton seed hole (Y1) and the hole-forming depth of cotton seed hole (Y2) as the response values. The parameter range of each factor and the preliminary influence on the response value were determined through pre-experiments and single-factor simulation test. Based on RecurDyn-EDEM coupling, a quadratic regression orthogonal rotation combination simulation test was carried out. The results show that the order of the primary and secondary factors affecting the Y1 of the time-lapse hole-forming device was: A > C > B. The order of primary and secondary factors affecting the Y2 of the delayed hole forming device was: B > C > A. When the A was 2.4 °, the B was 42.4 mm, and the C was 30.5 °, the performance of the hole-forming was the best, and the Y1 was 26.4 mm, and the Y2 was 25.0 mm. The bench verification test results show that under the optimized combination of operating parameters, the average Y1 was 29.1 mm, and the average Y2 was 23.2 mm. Compared with the results of the previous coupled simulation model, the average relative errors of the two are 7.23 % and 4.36 %, respectively, indicating the accuracy and effectiveness of the established DEM simulation model and virtual test analysis. The hole-forming area and the opening time of the duck bill after the stable operation of the machine were recorded and measured. The calculated hole dislocation rate Hc was 4.33 %, which did not exceed the national standard requirement of 6 %. The qualified rate of hole distance Hx was 94.33 %, which was much higher than the national standard requirement of 80 %. The average opening time of the duck bill at a speed of 6 km/h is 0.45 s, which is much longer than the time required for cotton seeds to fall from the duck bill 0.11 s. It meets the requirements of high-speed cotton planting in China and facilitating advancements in future high-speed planter technology.

A case of low level windshear at Beijing Daxing International Airport is studied in the present pa-per. It is related to the synoptic scale/mesoscale changes of the airflow pattern over northern China. The shear was captured well by the Doppler LIDAR at the airport and timely alerts had been issued. This study considers the technical feasibility of forecasting the shear feature using a high resolution numerical weather prediction model with a lead time of several hours. It turns out that the shear feature could be forecast well, and is generally consistent with the actual observations. However, there are still discrepancies between reality and the simulation, such as the strength of the shear and persistency of the feature. More cases of windshear at Daxing airport would be studied in the fu-ture in order to understand the nature of windshear over there.

Let Vn(d) denote the least number such that every collection of nd-cubes with total volume 1 in d-dimensional (Euclidean) space can be packed parallelly into some d-box of volume Vn(d). We show that V3(d)=r1−dd if d≥11 and V3(d)=1r+1rd+1r−rd+1 if 2≤d≤10, where r is the only solution of the equation 2(d−1)kd+dkd−1=1 on 22,1 and (k+1)d(1−k)d−1dk2+d+k−1=kddkd+1+dkd+kd+1 on 22,1, respectively. The maximum volume is achieved by hypercubes with edges x, y, z such that x=2rd+1−1/d, y=z=rx if d≥11, and x=rd+(1r−r)d+1−1/d, y=rx, z=(1r−r)x if 2≤d≤10. We also proved that only for dimensions less than 11 there are two different maximum packings, and for all dimensions greater than 10 the maximum packing has the two smallest cubes the same.

In marine ecosystems communication among microorganisms is crucial since the distance is significant if considered on a microbial scale. One of the ways used by microorganism cells to reduce this gap is the production of extracellular vesicles. Marine bacteria release extracellular vesicles (EVs), small membrane-bound structures of 50 to 250 nm diameter, into their surrounding environment. The vesicles contain various cellular compounds, including lipids, proteins, nucleic acids, and glycans. EVs may mediate the communication between microorganisms in aquatic environments thus influencing ecosystem function and determining the structure and composition of microbial populations. This review will focus on marine bacterial EVs analysing their structure, composition, functions, and applications.

Lipids have not traditionally been considered likely candidates for catalyzing reactions in biological systems. However, there is significant evidence that aggregates of amphiphilic compounds are capable of catalyzing reactions in synthetic organic chemistry. Here we demonstrate the potential for the hydrophobic region of a lipid bilayer to provide an environment suitable for catalysis by means of a lipozyme, or lipid aggregate capable of speeding up a chemical reaction. By bringing organic molecules into the non-polar or hydrophobic region of a lipid bilayer, reactions can be catalyzed by collections of small, nonpolar or amphiphilic molecules. We demonstrate this concept by the ester hydrolysis of calcein-AM to produce a fluorescent product, which is a widely used assay for esterase activity in cells. The reaction was first carried out in a two phase octanol-water system with the organic phase containing the cationic amphiphiles cetyltrimethylammonium bromide (CTAB) or octadecylamine. The octanol was then replaced with DOPC added to the water in the form of vesicles, where the reaction was also found to be carried out. The reaction was monitored using quantitative fluorescence which revealed catalytic turnover numbers on a scale of 10−4s−1 for each system, which is comparable to some slow enzymes. The reaction product was characterized by 1H-NMR measurements which were consistent with ester hydrolysis. The implications of thinking about lipid aggregates as catalytic entities are discussed in the context of biochemistry, pharmacology and synthetic biology.

The generation of forensic DNA profiles consisting of single nucleotide polymorphisms (SNPs) is now being facilitated by wider adoption of next-generation sequencing (NGS) methods in casework laboratories. At the same time, and in part because of this advance, there is an intense focus on the generation of SNP profiles from evidentiary specimens for so-called forensic or investigative genetic genealogy (FGG or IGG) applications. However, FGG methods are constrained by the algorithms for genealogical database searches, which were designed for use with single-source profiles, and the fact that many forensic samples are mixtures. To enable the use of two-person mixtures for FGG, we developed a workflow, MixDeR, for the deconvolution of mixed SNP profiles. MixDeR, a flexible and easy to use R package and Shiny app, processes ForenSeq Kintelligence® (QIAGEN, Inc.) SNP genotyping results and directs deconvolution of the profiles in EuroForMix (EFM). MixDeR then filters the EFM outputs to produce inferred single-source genotypes in reports formatted for use with GEDmatch® PRO. An optional MixDeR output includes metrics that assist with testing and validation of the workflow. As the Shiny app provides a graphical user interface and the software is designed to be run offline, MixDeR should be suitable for use by any laboratory developing FGG capabilities, no matter their bioinformatic resources or expertise.

Large-scale hydrological modeling in China is challenging given the sparse meteorological stations and large uncertainties associated with atmospheric forcing data.Here we introduce the development and use of the China Meteorological Assimilation Driving Datasets for the SWAT model (CMADS) in the Heihe River Basin(HRB) for improving hydrologic modeling, by leveraging the datasets from the China Meteorological Administration Land Data Assimilation System (CLDAS)(including climate data from nearly 40000 area encryption stations, 2700 national automatic weather stations, FengYun (FY) 2 satellite and radar stations). CMADS uses the Space Time Multiscale Analysis System (STMAS) to fuse data based on ECWMF ambient field and ensure data accuracy. In addition, compared with CLDAS, CMADS includes relative humidity and climate data of varied resolutions to drive hydrological models such as the Soil and Water Assessment Tool (SWAT) model. Here, we compared climate data from CMADS, Climate Forecast System Reanalysis (CFSR) and traditional weather station (TWS) climate forcing data and evaluatedtheir applicability for driving large scale hydrologic modeling with SWAT. In general, CMADS has higher accuracy than CFRS when evaluated against observations at TWS; CMADS also provides spatially continuous climate field to drive distributed hydrologic models, which is an important advantage over TWS climate data, particular in regions with sparse weather stations. Therefore, SWAT model simulations driven with CMADS and TWS achieved similar performances in terms of monthly and daily stream flow simulations, and both of them outperformed CFRS. For example, for the three hydrological stations (Ying Luoxia, Qilian Mountain, and ZhaMasheke) in the HRB at the monthly and daily Nash-Sutcliffe efficiency ranges of 0.75-0.95 and 0.58-0.78, respectively, which are much higher than corresponding efficiency statistics achieved with CFSR (monthly: 0.32-0.49 and daily: 0.26 – 0.45). The CMADS dataset is available free of charge and is expected to a valuable addition to the existing climate reanalysis datasets for deriving distributed hydrologic modeling in China and other countries in East Asia.

This study investigated the effects of fish oil (FO) treatment, particularly enriched with eicosapentaenoic acid (EPA), on obesity induced by a high-fat diet (HFD) in mice. The investigation focused on elucidating the impact of FO on epigenetic modifications in white adipose tissue (WAT) and the involvement of adipose-derived stem cells (ASCs). C57BL/6j mice were submitted to a control diet or a HFD for 16 weeks, treated (or not) with FO for the last 8 weeks. WAT was removed for RNA and protein extraction, while ASCs were isolated, cultured, and treated with Leptin. All samples were analyzed using functional genomics tools, including PCR-array, RT-PCR and Western Blot assays. Mice receiving HFD displayed increased body mass, fat accumulation, and altered gene expression associated with WAT inflammation and dysfunction. FO supplementation attenuated these effects, a potential protective role against HFD-induced obesity. Analysis of H3K27 revealed HFD-induced changes in histone, which were partially reversed by FO treatment. The study further explored leptin signaling in ASCs, suggesting a potential mechanism for ASC dysfunction in the leptin-rich environment of obese WAT. Overall, FO supplementation demonstrated efficacy in mitigating HFD-induced obesity, influencing epigenetic and molecular pathways, and shedding light on the role of ASCs and leptin signaling in WAT dysfunction associated with obesity.