Estimation of the potential consequences from events occurring downstream of a dam are part of the risk assessment needed during the installation phase of a new dam. In case of specific Natural or Man Made ongoing or prospected events, it may be also important to carry out fast computations that can provide information on the areas at risk either because the original design analyses are not available or because the parameters needed are different. This study is aimed to develop a procedure that strongly facilitates the preparation of the input deck and the derivation of the output quantities to allow a fast analysis of a dam break event using a shallow water model, NAMI DANCE, as the analysis tool.

In this work a new hydroelectric basin modelling approach is described and applied to the Pontecosi basin, Italy. Several types of data sources were used to learn the model: a number of weather stations, satellite observations, Reanalysis dataset and basin data. With the goal of predicting the water level of the basin, the model was composed by three cascade modules. Firstly, different spatial interpolation methods, such as Kriging, Radial Basis Function and Natural Neighbours, were compared and applied to interpolate the weather stations data nearby the basin area to infer the main environmental variables (air temperature, air humidity, precipitation and wind speed) in the basin area. Then, using these variables as inputs, a neural network was trained to predict the mean soil moisture concentration over the area, also to improve the low availability due to satellite orbits. Finally, a non-linear auto regressive exogenous input (NARX) model was trained to simulate the basin level with different prediction horizons, using the data from the previous modules and past basin data (water level, discharge flow rate, turbine flow rate). Accurate predictions of the basin water level were achieved within 1 to 6 hours ahead, with mean absolute errors (MAE) between 2cm and 10cm respectively.

Fiber aggregation in nanocomposites has an important effect on the macroscopic electrical performance. To quantitatively evaluate its effect, an index to characterize the degree of aggregation is imperative, and ideally it should have three features simultaneously, i.e., single-parametric, dimensionless and physically meaningful, applicable to different aggregation topologies, and one-to-one corresponding to material electrical properties. To this end, a new aggregation degree is proposed, which is defined as the average increased number of fibers that connect with each one when fibers aggregate from a uniformly distributed state. This index is applicable to different aggregation topologies from lump-like aggregating clusters to network-like aggregating clusters. This index is proven to only depend on the local features of aggregating clusters, and can be concisely expressed by the characteristic parameters of local structure, via geometric probability analysis and numerical validations. Further, a one-to-one linear relation between the aggregation degree and percolation threshold is established by Monte Carlo simulations, which is independent of the distribution law of the fibers. This work provides a guide to the property characterization, performance prediction and material design of nanocomposites, and also gives a physical insight into the understanding of systems with similar non-uniform distributions.

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

Substantial research is required to ensure that micro-mobility ride sharing provides a better fulfillment of user needs. This study proposes a novel crowdsourcing model for the ride-sharing system where light vehicles such as scooters and bikes are crowdsourced. The proposed model consists of three entities: suppliers, customers, and a management party responsible for receiving, renting, booking, and demand matching with offered resources. It can allow suppliers to define the location of their private e-scooters/e-bikes and the period of time they are available for rent. Using a dataset of over 9 million e-scooter trips in Austin, Texas, we ran an agent-based simulation six times using three maximum battery ranges (i.e., 35, 45, and 60 km) and different numbers of e-scooters (e.g., 50 and 100) at each origin. Computational results show that the proposed model is promising and might be advantageous to shift the charging and maintenance efforts to a crowd of suppliers.

This paper presents a methodology for predictive and prescriptive analytics of complex engineering systems. The methodology is based on a combination of physics-based and data-driven modeling using machine learning techniques. Combining these approaches results in a set of reliable, fast, and continuously updating models for prescriptive analytics. The methodology is demonstrated with a case study of a jet-engine power plant preventive maintenance and diagnostics of its flame tube.

Designing the future energy supply in accordance with ambitious climate change mitigation goals is a challenging issue. Common tools for planning and calculating future investments in renewable and sustainable technologies are often linear energy system models based on cost optimisation. However, input data and the underlying assumptions of future developments are subject to uncertainties that negatively affect the robustness of results. This paper introduces a quadratic programming approach to modifying linear, bottom-up energy system optimisation models in order to take cost uncertainties into account. This is accomplished by implementing specific investment costs as a function of the installed capacity of each technology. In contrast to established approaches like stochastic programming or Monte Carlo Simulation, the computation time of the quadratic programming approach is only slightly higher than that of linear programming. The model’s outcomes were found to show a wider range as well as a more robust allocation of the considered technologies than the linear model equivalent.

Hydrogen is a promising energy carrier, exploitable to extract energy from fossil fuels, biomasses as well as intermittent renewable energy sources and its generation from fossil fuels with CO₂ separation at the source is one of the most promising pathway for fossil fuels utilization. This work is focused on a particular configuration, called Reformer and Membrane Module (RMM), which alternates stages of Steam Reforming (SR) reaction with H2 separation stages to overcome the thermodynamic limits of the conventional SR. The configuration has numerous advantages with respect to the more studied and tested membrane reactors and has been tested on a pilot scale during a pilot-scale research project. Although the numerous modelling works appeared in the literature, the design features of the material exchanger (in the so-called RMM architecture) of different geometrical configurations have not been developed and the mass transfer correlations, capable of providing design tools useful for such membrane modules, are not available. The purpose of this work is therefore to apply a physical-mathematical model of the mass transfer, in three different geometries, considering both concentration polarization and membrane permeation, in order to: i) simulate the cited experimental results, ii) estimate the scaling-up correlations for the “material exchange modules”; iii) identify the mass transfer limiting regime in relation to the gas mass flow rate.

Separation of polyethylene glycols (PEGs) into single homologs by reversed-phase chromatography is investigated experimentally and theoretically. The used core-shell column is shown to achieve baseline separation of PEG homologs up to molar weights of at least 5000 g/mol. A detailed study is performed elucidating the role of the operating conditions temperature, eluent composition, and degree of polymerization of the polymer. Applying Martin's rule yields a simple model for retention times that holds for a wide range of conditions. In combination with relations for column efficiency, the role of the operating conditions is discussed and separations are predicted for analytical-scale chromatography. Finally, the approach is included in an efficient process model based on discrete convolution, which is demonstrated to predict with high accuracy also advanced operating modes with arbitrary injection profiles.

The construction industry in the Kingdom of Saudi Arabia (KSA) is a significant sector in the Middle East, with annual expenditures exceeding USD 120 billion. It employs 15% of the work force and consumes more than 14% of the country’s energy resources. Despite the significant growth in the Saudi construction sector, it faces various challenges due to the rapid launch of mega projects such as NEOM and the Line project, as well as other new projects as part of the Saudi Vision 2030. Challenges might be limited to shortages of skilled labours, rising costs, construction disputes, and material shortages. This study aims to investigate the claims management procedures under traditional practice to be compared with a proposed BIM package as an alternative solution to mitigate construction disputes. The proposed BIM model improves and streamlines the claims process through automation. This study presents prospective and retrospective methods for delay analysis under an accepted program. A questionnaire survey was conducted, and out of a total of 123 practitioners, 79 replied. The findings reveal that 40% of the respondents acknowledged a growing awareness of BIM in the KSA construction industry. 47% agreed that BIM can help reduce potential disputes, and 33% strongly agreed that BIM can reduce overall project cost overruns.

Rain-fed maize production has significantly declined in Zimbabwe especially in semi-arid and arid areas causing food insecurity. Erratic rainfall received associated with mid-season dry spells largely contribute to low and variable maize yields. This study involved a survey of current farmers’ cropping practices, analyses of climatic data (daily rainfall and daily minimum and maximum temperature) of Hwedza station and simulation of maize yield response to climate change using DSSAT CERES crop growth simulation model. The climatic and maize yield data was analysed using mean correlation and regression analyses to establish relationships between rainfall characteristics and maize yield in the study area. Survey results showed that maize was the staple food grown by 100% of the farming households while 8.7% also grew sorghum. The survey concludes that 56.2% of the farmers grew short season varieties, 40.2% medium season varieties and 3.6% long season varieties. The result of the correlation analysis of climatic data and maize yield showed that number of rain days had strong positive relationship (r = 0.7) with maize yield. Non-significant yield differences (p > 0.05) between maize cultivar and planting date criteria were obtained. Highest yields were obtained under the combination of medium season maize cultivar and the DEPTH criterion in all simulations. The range of simulated district average yields of 0.4 t/ha to 1.8 t/ha formed the basis for the development of an operational decision support tool (cropping calendar).

We used a mixed-method single-case experimental research design to examine the effect of modelling (peer versus non-peer) on exercise self-efficacy in stroke survivors who participated in a community-based exercise program. Quantitative data were obtained using a ABCA design: (A1) no model/baseline 1 (3 weeks); (B) peer model (6 weeks); (C) non-peer model (6 weeks); and (A2) no model/baseline 2 (3 weeks). Four participants completed self-efficacy questionnaires after each weekly session. Qualitative data were obtained using researcher diaries and two semi-structured interviews: after B and A2. Based on quantitative and qualitative results, participants reported higher exercise self-efficacy in the model conditions, with ratings appearing highest for the non-peer model. This finding could be due to a lack of full integration of the peer model and low feelings of similarity. Modelling in general could help people recovering from a stroke increase their exercise self-efficacy, but non-peer models may not be most advantageous.

Fouling by activated sludge in membrane bioreactor (MBR) processes for wastewater treatment can be reduced using several strategies such as backflushing, relaxation, and chemical cleaning. Some proprietary systems such as Avanti’s RPU-185 Flexidisks MBR use novel circular rotating, flat sheet membranes to assist in limiting this fouling. An attempt has already been made to model this novel rotating fouling process by developing a simulation model based on first principles and traditional fouling mechanisms. In order to directly compare the potential benefits of rotational MBR system, a follow-up study was carried out using Avanti’s newly developed static (non-rotating) Flexidisks MBR system. This new process uses the same proprietary and patented membrane modular arrangement as used in the circular rotational unit, but is configured instead as a static square-shaped unit which is in-line with the more traditional and popular format used for submerged flat sheet MBR systems. During this study, the results from operating the static pilot unit were simulated and modelled using a standard fouling model coupled with a viscosity to mixed liquor relationship model. These results were then compared with those obtained from running the rotating MBR model however with rotational switching functions turned off and rotational parameters set to a static mode. This comparison was done to ascertain whether the basic premise of the developed rotational model was sound in empirical terms when compared to a standard MBR flux model. The study concluded that relatively good agreement was reached between the two types of models, thus vindicating the usage of a complex rotational MBR model. Follow on studies will now compare results from the rotating MBR system using rotational models developed by other researchers to ascertain the effectiveness rotating MBR modelling approach.

Building integrated photovoltaics (BIPV) consists of PV panels that are integrated into the building as part of the construction. This technology has advantages such as the production of electricity without necessary additional land area. This paper provides a literature review about the recent developments in urban building energy modelling, including tools and methods, and how they can be used to predict the effect of PV systems on building outdoor and indoor environments. It is also intended to provide a critical analysis on how PV systems affect the urban environment, both from an energy and a comfort point of view. The microclimate, namelly the urban heat island concept, is introduced and related with the existence of PV systems. It is concluded that urban building energy modelling (UBEM) can be effective to study the performance of PV systems in the urban environment. It allows to simultaneously predict the building energy performance and the microclimate effect. However, there is a need to develop new methodologies to overcome the challenges associated to UBEM, especially in what concerns non-geometric data, which leads to a major source of errors. and to find an effective method to predict the effect of PV systems in the urban environment.

Musculoskeletal models (MSKMs) are used to estimate the muscle and joint forces involved in human locomotion, often associated with the onset of degenerative musculoskeletal pathologies (e.g. osteoarthritis). Subject-specific MSKMs offer more accurate predictions than their scaled-generic counterparts. This accuracy is achieved through time-consuming personalisation of models and manual tuning procedures that suffers from potential repeatability errors, hence limiting the wider application of this modelling approach. In this work we have developed a methodology for identifying and ranking the muscles that are more important to the determination of the joint forces, thus producing reduced but still accurate representation of the musculoskeletal system in shorter timeframes. The methodology hinges on Sobol's sensitivity analysis (SSA) for ranking the muscle importance. The thousands of data points required for SSA are generated using Gaussian Process emulators, a Bayesian technique to infer the input-output relationship between nonlinear models from a limited number of observations. Results show that there is a pool of muscles whose personalisation has little effects on the model predictions. Furthermore, joint forces in subject generic and subject generic models are influenced by different set of muscles, suggesting the existence of a model specific component of the sensitivity analysis.

This study assesses Human Thermal Comfort in two selected areas: a Green Infrastructure (GI) area represented by a garden and a high-rise building area, in the Central Business District (CBD) of Melbourne, Australia. Three-dimensional microclimatic modelling software, ENVI-met version 4 was used to simulate the microclimate. The indices of Predicted Mean Vote (PMV), Physiological Equivalent Temperature (PET) and Universal Temperature Climate Index (UTCI) were used to quantify the level of thermal comfort in the research areas. The simulation results showed that at midday, the difference in temperature between the garden area and the high-rise building area was approximately 1°C. Increasing temperatures at midday led to a change in the level of thermal comfort for both the areas, even though it was not significant. In general, the thermal perception in the GI area was slightly ‘cooler’ than in the high-rise building area. The results of the study indicated the important role of GI in improving the thermal comfort in urban areas.

Real-time estimation of the parameters characterising infectious disease transmission is important for optimization quarantine interventions during outbreaks. One of the most significant parameters is the effective reproduction number - number of secondary cases produced by a single infection. The current study presents an approach for estimating the effective reproduction number and its application to COVID-19 outbreak. The method is based on fitting SIR epidemic model to observation data in a sliding time window and allows to show real-time dynamics of reproduction number at any phase of epidemic for countries globally. Online data on COVID-19 daily cases of infections, recoveries, deaths are used.Finally, time-dependent reproduction number is explored in connection with dynamics of peoples mobility. The method allows to assess the disease transmission potential and understand the effect of interventions on epidemics spread. It also can be easily adapted to future outbreaks of different pathogens. The tool is available online as Python code from the Github repository.

Knowledge about the formation energies of compounds is essential to derive phase diagrams of multi-component phases with respect to elemental reservoirs. The determination of formation energies using common (semi-)local exchange-correlation approximations of density functional theory (DFT) exhibits well-known systematic errors if applied to oxide compounds containing transition metal elements. In this work, we generalize, reevaluate and discuss a set of approaches proposed and widely applied in the literature to correct for errors arising from the over-binding of the O2 molecule and from correlation effects of electrons in localized transition-metal orbitals. The DFT+U method is exemplarily applied to iron oxide compounds, and a procedure is presented to obtain U values, which lead to formation energies and electronic band gaps comparable to experimental values. Using such corrected formation energies, we derive the phase diagrams for LaFeO3, Li5FeO4 and NaFeO2, which are promising materials for energy conversion and storage devices. A scheme is presented to transform the variables of the phase diagrams from the chemical potentials of elemental phases to those of precursor compounds of a solid-state reaction, which represents the experimental synthesis process more appropriately. The discussed workflow of methods can directly be applied to other transition metal oxides.

Coal-fired thermal plants (CTPP) are known to pollute the atmosphere with emission of many greenhouse gases and particulate matter. The power generation from these thermal plants cannot be stopped completely because it forms the backbone of the grid power supply. It is necessary to study the dispersion patterns of pollutants that affect the health of the people. The dispersion patterns are location specific since they depend on local meteorological conditions. In this study, the dispersion of particulate matter (PM) and sulphur dioxide (SO₂) from a CTPP with 275 m high stack are studied under different atmospheric boundary layer (ABL) of neutral, stable and unstable conditions up to a distance of 30 km from the stack. The plume of the PM spreads under all conditions. During some parts of the day, PM settles around the stack while at other times PM keeps suspending in the air for the full distance under study. Sulphur dioxide dilutes to concentrations below the detection limits in about 12-13 km from the stack for neutral and unstable ABL whereas for the stable ABL, the dispersion is up to 30 km. The 24 h weighted average concentration of sulphur dioxide, at 10 m height from the ground, is 14.2 mg/m³ at a distance of 25 kms from the CTPP, which is comparable with the value of 9.2 mg/m³ measured at the Air Quality Stations located around the same distance. Based on the results policy changes that need to be implemented are suggested.

Numerous fractured hydrocarbon reservoirs exist in the metamorphic basement of the Pannonian Basin in Hungary. Many decades of experience in production have proven that these reservoirs are highly compartmentalised, resulting in a complex mosaic of permeable and impermeable domains situated next to each other. Consequently, in most fields, only a small amount of the total hydrocarbon reserve can be extracted. This paper aims to locate the potential migration pathways inside the most productive basement reservoir of the Pannonian Basin, using a multiscale approach. To achieve this, evaluation well-log data, DFN modelling and a composition analysis of fluid trapped in a vein-filling zeolite phase are combined. Data on a single well are presented as an example. The results of the three approaches indicate the presence of two highly fractured intervals separated by a barely fractured amphibolite. The two zones are probably part of the communicating fracture system inside the single metamorphic mass. The gas analysis further specifies the migrated fluids and indicates hydrocarbons of a composition similar to that of the recently produced oil. Consequently, we conclude that the two zones do not only form an ancient migration pathway but are also members of a more recent hydrocarbon system.

We use COMSOL Multiphysics software to model optical processes in media and the effects of light propagation in whispering gallery mode resonators (WGMRs). Although plane wave irradiating on resonator does not create resonances, it was shown that they can be obtained when focused tangentially on the perimeter of the resonator. We demonstrate that resonances can be excited in resonators by prism coupling when the incident angle of the light is larger than the angle of total internal reflection. We determined the optimal distance between the prism and the resonator to get the strongest resonances. Bio-sensing principle of WGMRs is shown by demonstrating that the shift of resonances increases with a larger number of "bio-molecules" attached to the surface of WGMR. Surface functionalization and surface roughness were explored.

Pharmacophores are an established concept for the modelling of ligand-receptor interactions based on the abstract representations of stereoelectronic molecular features. They became widely popular as filters for the fast virtual screening of large compound libraries. Until today a lot of effort has been put into the development of sophisticated algorithms and strategies to increase the computational efficiency of the screening process. However, hardly any focus was put on the development of automated procedures that optimise pharmacophores towards higher discriminatory power, which until today still has to be done manually by a human expert. In the age of machine learning, the researcher has become the decision-maker at the top level, outsourcing analysis tasks and recurrent work to advanced algorithms and automation workflows. Here we propose an algorithm for the automated selection of features driving pharmacophore model quality using SAR information extracted from validated QPhAR models. By integrating the developed method into an end-to-end workflow, we present a fully automated method that is able to derive best-quality pharmacophores from a given input dataset. Finally, we show how the QPhAR-generated models can be used to guide the researcher with insights regarding (un-)favourable interactions for compounds of interest.

The hygrothermal transfer is very important for the design of a building envelope for thermal comfort and economic and energy analysis of the building envelope. The applications of various materials in building envelope have been studied extensively. The study presents several models for the hygrothermal transfer for various building walls. Several energy and mass conservation equations with different boundary conditions and input considerations were presented in this paper for concrete, bricks and wooden walls. The effect of hysteresis was ignored in developing most model equations, while few considered flow pattern of fluid through the wall surfaces. Due to the flexibility of Luikov models, it formed the basis for modelling the coupled heat and mass transfer for porous material independent of hygroscopic nature with different boundary conditions defined according to the geometry and orientations. The influence of type of wall, orientation, thickness, the density of the material and climatic variations on the temperature and moisture evolutions within the building materials was more pronounced. Literature, presenting imaging models using imagery software like COMSOL multi-physics, CFD etc. were scarce considering that microscopic imagery is now deployed to measure the heat and moisture evolution in materials. Future models should include shrinkage or expansion influence on the fibrous material like wood due to their behaviour under environmental condition.

Field and numerical investigations at Happisburgh, East coast of England, UK, sought to characterize beach thickness and determine geologic framework controls on coastal change. After a major failure of coastal protection infrastructure, removal of about 1 km of coastal defense along the otherwise protected cliffed coastline of Happisburgh triggered a period of rapid erosion over 20 years of ca. 140 m. Previous sensitivity studies suggested that that beach thickness plays a major role in coastal recession. These studies were limited, however, by a lack of beach volume data. In this study, we have integrated the insights gained from our understanding of the Quaternary geology of the area, a novel non-intrusive passive seismic survey method, and a 3D novel representation of the subsurface source and transportable material into a coastal modelling environment to explore the role of beach thickness on the back wearing and down wearing of the cliffs and consolidated platform, respectively. Results show that beach thickness is non-homogeneous along the study site: we estimate that the contribution to nearshore sediment budget via platform down wearing is of a similar order of magnitude as sediment lost from the beach and therefore non-negligible. We have provided a range of evidence to support the idea that the Happisburgh beach is a relatively thin layer perched on a sediment rich platform of sand and gravel. This conceptualization differs from previous publications, which assumes that the platform was mostly till and fine material. This has direct implication on the regional sediment management of along this coastline. The present study contributes to our understanding of a poorly known aspect of coastal sediment budgeting and outlines a quantitative approach that allows for simple integration of geological understanding for coastline evolution assessments worldwide.

A simple underwater noise model suitable for use with explosives in the decommissioning of oil and gas subsea structures is introduced and evaluated against data from five projects in the US. The performance of the model is compared to four existing models for open water blasts, and for the severance of well conductors and piles. Simulated received underwater sound pressure levels were significantly correlated with measurements for all scenarios. The maximum total error achieved between simulations and measurements was 3.5%, suggesting that predictions are accurate to within 4% of the average measurement. A low relative bias was observed in the simulations when compared to measured values, suggesting only a small systematic underestimate (≤ 1% of average measurement) for most severance operations and a small overestimate (1.34%) for open water blasts.

Climate change is expected to affect the agricultural sector in ways that are often unclear to predict. If in the short- medium-terms farmers may adapt to climate change by adjusting agricultural practices, in the long-term these adjustments may become insufficient, forcing farmers to change their farming systems. The extent and direction in which these farming system transitions will occur is still a subject underexplored in the literature. We propose a new framework to explore the marginal effect of climate change on the choice of the farming system, while controlling the effect of other drivers known to also influence farming system choice. Using a spatial-explicit farming system choice-model developed by a previous study in an extensive agricultural region of southern Portugal, we applied a space-for-time approach to simulate the effect of climate change on the future dynamics of the farming systems in the study area. Results suggest that climate change will force many farmers to change the farming system in a foreseeable future. The extent of the projected changes in farming systems is likely to trigger significant social, economic, or environmental impacts, which should require early attention from policy makers.

Lysophosphatidic acid (LPA) is a promising biomarker candidate to screen for ovarian cancer (OC) and potentially stratify and treat patients according to disease stage. LPA is known to target actin-binding protein gelsolin that is a key regulator of actin filament assembly. Previous studies have shown that the phosphate headgroup of LPA alone is inadequate to bind to the short chain of amino acids in gelsolin known as the PIP2-binding domain. Thus, the molecular-level detail of the mechanism of LPA binding is poorly understood. Here, we model LPA binding to the PIP2-binding domain of gelsolin in the gelsolin-actin complex through extensive ten microsecond atomistic molecular dynamics (MD) simulations. We predict that LPA binding causes a local conformational rearrangement due to LPA interactions with both gelsolin and actin residues. These conformational changes are a result of the amphipathic nature of LPA, where the anionic phosphate, polar glycerol and ester groups, and lipophilic aliphatic tail mediate LPA binding via charged electrostatic, hydrogen bonding, and van der Waals interactions. The negatively-charged LPA headgroup binds to the PIP2-binding domain of gelsolin-actin while its hydrophobic tail is inserted into actin, creating a strong LPA-insertion pocket that weakens the gelsolin–actin interface. The computed structure, dynamics, and energetics of the ternary gelsolin–LPA–actin complex confirms that a quantitative OC assay is possible based on LPA-triggered actin release from the gelsolin-actin complex.

Cathodic protection is widely used to protect metal structures from corrosion and is commonly applied on marine structures in seaports using sacrificial galvanic anodes. These anodes, either in Zinc, or preferen-tially nowadays in Al-Zn-In alloys, are expected to corrode instead of the metal to be protected. This leads to the release of specific dissolved species, Zn2+, Al3+, In3+ and solid phases like Al(OH)3. Few studies were conducted on the effects of anodes on marine organisms and concluded that further detailed investiga-tions are needed in controlled environments. We therefore propose an experimental approach to evaluate the effects of Zn and Al-Zn-In anodes on oysters stabulated in tanks, under conditions approaching those used in the ports. We chose a non-targeted metabolomic approach, using UHPLC coupled to HRMS, to study the effects on the entire metabolome, without any a priori. A modelling study of the chemical species, corresponding to the deg-radation products of the anodes, likely to be present near the exposed oysters, was also included. We identified 16 and 2 metabolites modulated by Zn- and Al-Zn-In-anodes respectively, involved in bi-ological functions, such as energy metabolism, osmoregulation, oxidative stress, lipid, nucleotide nucle-oside and amino acid metabolisms, defense and signaling pathways.

Gastric emptying rate (GER) may impact diabetes and obesity in humans and could provide a method to reduce canine weight gain. Starch, the most common source of carbohydrates (CHOs) in pet food, is classified as rapidly or slowly digestible, or resistant to digestion. This study investigated starch source effects in commercial extruded dog foods on the GER of 11 healthy adult Siberian Huskies (5.63±0.72 years; mean±SEM). Test diets were classified as traditional, grain-free, whole-grain, and vegan. Dogs received each diet once, a glucose control twice, and acetaminophen (Ac) as a marker for GER in a randomized, partially-replicated, 6x6 Latin square design. Pre- and post-prandial blood samples were collected at 16 timepoints from -15 to 480 minutes. Serum Ac concentrations were assessed via standard spectrophotometric assays and fitted with a mathematical model to estimate parameters of GER. Data was analyzed using a repeated measures ANOVA, followed by a Tukey-Kramer post-hoc test when significant (p<0.05). More total emptying (p= 0.0430) occurred at faster rate (p=0.0668) in dogs fed the grain-free diet, which contained the lowest total starch (34.03 ± 0.23%) and highest resistant starch (0.52 ± 0.007%). This research may benefit future diet formulations to reduce the prevalence of canine weight gain.

Excitotoxicity related to the dysfunction of the N-methyl-d-aspartate receptor (NMDAR) has been indicated to play an integral role in the pathophysiology of multiple disease states, including neurodegenerative disorders such as Parkinson’s disease. There is a notable gap in the market for novel NMDAR antagonists, however current methods to analyze potential antagonists rely on indirect measurements of calcium flux and hazardous radioligand binding assays. Recently, a fluorescent NMDAR ligand, N-adamantan-1-yl-dimethylamino-1-naphthalenesulfonic acid, known as AM-DAN was developed by our group. Additional studies on this ligand is necessary to evaluate its potential as a biological tool in NMDAR research. Therefore, this study was aimed at conducting structural analyses, fluorescence experiments, high-accuracy NMDAR molecular modelling and NMDAR phencyclidine (PCP) site competition binding studies using AM-DAN. Results revealed that AM-DAN has appropriate structural properties, significant fluorescent ability in various solvents and is able to bind selectively and compete for the PCP-binding site of the NMDAR. Therefore, AM-DAN holds promise as a novel fluorescent ligand to measure the affinity of prospective drugs binding at the NMDAR PCP-site and may circumvent the use of radioligands.

In the recent decade, Building Information Modelling (BIM) has widely been adopted in the Architecture, Engineering and Construction (AEC) industry and completely upended the way we build. While BIM continues gain momentum in the industry, it has also attracted increasing attentions from researchers. However, most of the current study focuses on reviewing BIM for management, BIM for green building, BIM for infrastructure and BIM for Facilities Management (FM). There are few studies about Global BIM review and to discuss their complex inter-connections. In this study, we adopted a scientometric analysis method to review global BIM research from 2004-2019. A total of 1455 scholarly bibliographic records obtained from Web of Science Core Collection databased were established for the analysis. This study has identified the top productive and influential researchers, research institutes, regions/countries, subject categories and journals in the BIM field. In addition, 11 clusters of Global BIM research were also identified including construction project, green BIM, construction safety planning, automated IFC-based workflow and so on. Authors distinguished 11 clusters of global BIM research into 3 stages, namely formulating stage, accelerating stage and transforming stage. Furthermore, authors reviewed the BIM policy of Singapore and observed there is a co-production relationship between evolution of BIM policy and global BIM research. These findings provide valuable information for researchers, practitioners and policy makers by visualizing the current progress in the research field of BIM and highlighting future research needs.

The finding of important explanatory variables for the location parameter and the scale parameter of the generalized extreme value (GEV) distribution, when the latter is used for the modelling of annual streamflow maxima, is known to have reduced the uncertainties in inferences, as estimated through regional flood frequency analysis frameworks. However, important explanatory variables have not been found for the GEV shape parameter, despite its critical significance, which stems from the fact that it determines the behaviour of the upper tail of the distribution. Here we examine the nature of the shape parameter by revealing its relationships with basin attributes. We use a dataset that comprises information about daily streamflow and forcing, climatic indices, topographic, land cover, soil and geological characteristics of 591 basins with minimal human influence in the contiguous United States. We propose a framework that uses random forests and linear models to find (a) important predictor variables of the shape parameter and (b) an interpretable model with high predictive performance. The process of study comprises of assessing the predictive performance of the models, selecting a parsimonious predicting model and interpreting the results in an ad-hoc manner. The findings suggest that the shape parameter mostly depends on climatic indices, while the selected prediction model results in more than 20% higher accuracy in terms of RMSE compared to a naïve approach. The implications are important, since incorporating the regression model into regional flood frequency analysis frameworks can considerably reduce the predictive uncertainties.

This work proposes a physics-based identification technique based on genetic algorithms. The main objective is to obtain a parametric matrix A that describes the time-invariant linear model of the longitudinal dynamics of an aircraft. This is achieved by proposing a fitness function based on the properties of the transition matrix and taking advantage of some of the capabilities of the genetic algorithm, mainly those of restricting the search ranges of the unknowns. In this case, such unknowns are related to the type of aircraft and flight conditions that are considered during the identification process. The proposed identification method is validated with a reliable nonlinear model that can be found in the literature, as well as with the calculation of the trim condition and linearization generally used in aircraft dynamics. In summary, this study suggests the genetic algorithm provided with the adequate fitness function, could be an appealing alternative for aircraft model identification, even when only a limited amount of data is available. Furthermore, in some cases, linearization using genetic algorithm can be more efficient than classical methods.

'Huangguan' pear has significant social and economic value, and phosphorus, as one of the three main mineral elements of plants, has an irreplaceable effect on the normal growth of 'Huangguan' pear trees. The objective of this study was to predict the content of phosphorus in the pulp and peel of ‘Huangguan’ pears nondestructively and conveniently by using near-infrared spectroscopy (900–1700 nm) technology. First, twelve algorithms are used to preprocess the original spectral data, and the partial least squares regression algorithm and the gradient boosting regression tree algorithm are used to build a full-band prediction model based on the original spectral data and the processed spectral data. The characteristic wavelengths were extracted using genetic algorithms, followed by establishing a characteristic wavelength prediction model. The prediction accuracy of the models was evaluated according to the coefficient of determination R² and the relative analysis error RPD. The study found that the best prediction model for predicting phosphorus content in the pulp of 'Huangguan' pear was MSC-GA-PLSR, which had R²=0.843 and RPD=1.857 in the modelling set and R²=0.989 and RPD=7.041 in the prediction set. The best prediction model for predicting phosphorus content in the peel of ‘Huangguan’ pear was SG+SNV+FD-GA-PLSR, which had R²=0.991 and RPD=7.470 in the modelling set and R²=0.974 and RPD=4.414 in the prediction set, and the effect was good and met expectations. The results demonstrated that near-infrared spectroscopy could successfully achieve nondestructive detection of phosphorus content in the pulp and peel of 'Huangguan' pears.

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

Wireless cellular communication technology has developed into a very resourceful commodity worldwide. Today, people of all races can hardly live without means of voice and data cellular communication technology. Imprecise propagation loss estimation leads to high power waste, high co-channel interference and poor service quality in cellular communication system networks. This paper proposes a realistic adaptive fine-tuning method for distinctive propagation loss estimation over a microcellular communication radio links based on signal power measurements from Long Term Evolution radio broadband networks, taking non-line of sight (NLOS) and line of sight (LOS) environments into consideration. The methodology is verified by measurements taken in non-line of sight and line of sight signal propagation scenarios. The results showed that the estimated propagation losses using the proposed realistic adaptive tuning models were more accurate than the existing Cost -231 modelling estimation approach

Wireless cellular communication technology has developed into a very resourceful commodity worldwide. Today, people of all races can hardly live without means of voice and data cellular communication technology. Imprecise propagation loss estimation leads to high power waste, high co-channel interference and poor service quality in cellular communication system networks. This paper proposes a realistic adaptive fine-tuning method for distinctive propagation loss estimation over a microcellular communication radio links based on signal power measurements from Long Term Evolution radio broadband networks, taking non-line of sight (NLOS) and line of sight (LOS) environments into consideration. The methodology is verified by measurements taken in non-line of sight and line of sight signal propagation scenarios. The results showed that the estimated propagation losses using the proposed realistic adaptive tuning models were more accurate than the existing Cost -231 modelling estimation approach.

This study presents the results of a research project financed by the Lazio Regional Government. The research focused on defining an integrated model of recent alluvial deposits in the Tiber River. To achieve this objective, geological boreholes were made to monitor the aquifer and in situ and laboratory tests carried out. The data obtained was used to detail stratigraphic aspects and improve the comprehension of water circulation beneath the recent alluvial deposits of the Tiber River in the urban area of Rome, between the Ponte Milvio bridge and the Tiber Island. The stratigraphic intervals recognised in the boreholes were parameterised based on their litho-technical characteristics. The new data acquired, and integrated with existing data in the CNR IGAG database, made it possible to produce a three-dimensional model of the lithologies in the study area.The model of the subsoil, simplified for applied reasons, was described in hy-drostratigraphic terms: three different lithotypes were subjected to piezometric levels monitor-ing. Finally, the research generated a numerical hydrological level in a stationary regime. In general, this study demonstrates how a numerical hydrogeological model calibrated by piezo-metric monitoring data can support the construction of a geological model, discarding or con-firming certain hypotheses and suggesting other means of reconstructing sedimentary bodies.

Industrial discrete event dynamic systems (DEDSs) are commonly modelled by means of Petri nets (PNs). PNs have the capability to model behaviours such as concurrency, synchronization, and resource sharing, compared to a GRAphe Fonctionnel de Commande Etape Transition (GRAFCET) which is a particular case of a PN. However, there is not a systematic way to implement a PN in a programmable logic controller (PLC), and so it is very common the implementation of such a controller outside a PLC, in some external software that will communicate with the PLC. There have been some attempts to implement PNs within a PLC, but they are dependent on how the logic of places and transitions is programmed for each application. This work proposes a novel application-independent and platform-independent PN implementation methodology. This methodology is a systematic way to implement a PN controller within industrial PLCs. A great portion of the code will be validated automatically prior to PLC implementation. Net structure and marking evolution will be checked on the basis of PN model structural analysis, and only net interpretation will be manually coded and error-prone. Thus, this methodology represents a systematic and semi-compiled PN implementation method. A use case supported by a digital twin (DT) is shown where the automated solution required by a manufacturing system is carried out and executed in two different devices for portability testing, and the scan cycle periods are compared for both approaches.

Crop breeding is as ancient as the invention of cultivation. In essence, the objective of crop breeding is to improve plant fitness under human cultivation conditions, making crops more productive while maintaining consistency in life cycle and quality. The applications of predictive breeding has been gaining momentum in agricultural industry and public breeding programs for the last decade, in the aftermath of genomic selection being recognized and widely applied for accelerating genetic gain in breeding programs. The massive amounts of data that has been generated by industry and farmers year after year through several decades has finally been recognized as an asset. A wide range of analytical methods such as machine learning, deep learning and artificial intelligence that were initially developed for diverse quantitative disciplines are now being adopted to crop breeding decision making processes. New technologies are currently being developed that would enable integration of data from various domains such as geospatial variables and a multitude of phenotypic responses as well as genetic information, in order to identify, develop and improve crop faster via partial or full automation of the decisions that pertain to variety development. Here we will discuss and summarize efforts from public and private domains for predictive analytics, and its applications to crop breeding and agricultural product development, and provide suggestions for future research.

CO₂ geological storage in deep saline aquifers was recently developed at industrial scale mainly in sandstone formations. Experiences on CO₂ injections in carbonates aquifers for permanent trapping are quite limited, mostly from US projects such as AEP Mountaineer, Michigan and Williston Basin. The behavior of fractures in carbonates plays a key role in those reservoirs in which porous matrix permeability is very poor, which drives the CO₂ plume migration through the fracture network where hydromechanics and geochemical effects take place due to injection. Hontomín (Spain) is the actual on-shore injection pilot in Europe (EP Resolution of 14 January 2014), whose reservoir is comprised of fractured carbonates. Existing experiences from field scale tests conducted on site have supported to better understand the behavior of this type of reservoirs for CO₂ geological storage. Innovative CO₂ injection strategies are being carried out in ENOS Project (EU H2020 Programme, http://www.enos-project.eu). First results based on field tests conducted at Hontomín, and the advanced modelling developed so far will be analyzed and discussed in this article, as well as, the description of future works. The evolution of operating parameters such as flow rate, pressure and recovery term during the tests confirm the CO₂ migration through the fractures.

Background: Benveniste’s biology experiments suggested the existence of molecular-like effects without molecules (“memory of water”). In this article, it is proposed that these disputed experiments could have been the consequence of a previously unnoticed and non-conventional experimenter effect. Methods: A probabilistic modelling is built in order to describe an elementary laboratory experiment. A biological system is modelled with two possible states (“resting” and “activated”) and exposed to two experimental conditions labelled “control” and “test”, but both biologically inactive. The modelling takes into account not only the biological system, but also the experimenters. In addition, an outsider standpoint is adopted to describe the experimental situation. Results: A classical approach suggests that, after experiment completion, the “control” and “test” labels of biologically-inactive conditions should be both associated with “resting” state (i.e. no significant relationship between labels and system states). However, if the fluctuations of the biological system are also considered, a quantum-like relationship emerges and connects labels and system states (analogous to a biological “effect” without molecules). Conclusions: No hypotheses about water properties or other exotic explanations are needed to describe Benveniste’s experiments, including their unusual features. This modelling could be extended to other experimental situations in biology, medicine and psychology.

Emotion recognition is becoming very relevant in educational scenarios, since previous research has proven the strong influence of emotions on the student's engagement and motivation. There is no standard method for stating student's affect, but physiological signals have been widely used in educational contexts. Physiological signals have been proved to offer high accuracy in detecting emotions because they reflect spontaneous affect-related information, and which is fresh and do not require an additional control or interpretation. However, most proposed works use measuring equipment that limit its applicability in real-world scenarios because of their high cost and their intrusiveness. Expensive material means an economic challenge for schools and reduce the scalability of the experiments. Intrusive equipment can be uncomfortable for the students which can lead to errors in the collected data. In this work, we analyse the feasibility of developing a low-cost non-intrusive device that integrates easy-to-capture signals that guarantee high detection accuracy. The advantage of the approach also lies in using user’s centred information sources (intra-subject) in real-world situations, which provide better detection accuracy, by offering models adapted to each subject. To this end, we present an experimental study that aims to explore the potential application of Hidden Markov Models (HMM) to predict the concentration state from 4 commonly used physiological signals, namely heart rate, breath rate, skin conductance and skin temperature. We study the multi-fusion of every possible combination of these four signals and analyse their potential use in an educational context in terms of intrusiveness, cost and accuracy. Results show that a high accuracy can be achieved with three of the signals when using HMM-based intra-subject models. However, inter-subject models, which are meant to obtain subject-independent approaches for affect detection, fail at the same task. This work concludes that the implementation of a low-cost wrist-worn device for recognising relevant emotions from each student is possible and open the way to a wide range of practical applications in the context of adaptive learning systems.

In the scientific community, it is difficult to find a consensus on defining BIM. Just as the acronym BIM is developed in different ways, it is also understood in different ways. Depending on its understanding, different definitions emerge. It is defined differently by organizations and standards, still differently by academics. Many years of academic discourse on the subject have failed to produce a solution. Despite the fact that the acronym BIM has already done its work for the construction industry, it still stirs up excitement. There is still no clear definition, as the view of BIM varies from one perspective to another. This article attempts to sort out the definitions cited so far by important organizations and key academics. The review was based on deep literature study has attempted to be inclusive and consistent. The question still remains open: do we need a single, correct definition of BIM? The aim of the article is to try to answer this question, open up a renewed discussion and come to a satisfactory consensus. BIM can be identified with an activity, product or system. The article breaks down the definitions of BIM, identifies six key attributes of BIM, presents the evolution of the understanding of BIM and proposes new definitions in a narrow and broad approach.

The pennate diatom Phaeodactylum tricornutum is a model organism able to synthesize industrially-relevant molecules. Commercial-scale cultivation currently requires large monocultures, prone to bio-contamination. However, little is known about the identity of the invading organisms. To reduce the complexity of natural systems, we systematically investigated the microbiome of non-axenic P. tricornutum cultures from a culture collection in reproducible experiments. The results revealed a dynamic bacterial community that developed differently in “complete” and “minimal” media conditions. In complete media, we observed an accelerated “culture crash”, indicating a more stable culture in minimal media. The identification of only four bacterial families as major players within the microbiome suggests specific roles depending on environmental conditions. From our results we propose a network of putative interactions between P. tricornutum and these main bacterial factions. We demonstrate that, even with rather sparse data, a mathematical model can be reconstructed that qualitatively reproduces the observed population dynamics, thus indicating that our hypotheses regarding the molecular interactions are in agreement with experimental data. Whereas the model in its current state is only qualitative, we argue that it serves as a starting point to develop quantitative and predictive mathematical models, which may guide experimental efforts to synthetically construct and monitor stable communities required for robust upscaling strategies.

Linear alkylbenzene sulfonate (LAS) anionic surfactants are widely used, present in wastewater, and can be discharged causing environmental damage. Without considering biodegradation, sorption and desorption reactions play an important role and depend on the characteristics of the aquifer medium such as the content of organic matter and clay. These processes are modelled with PHREEQC using laboratory-obtained data on columns with an input LAS pulse. LAS adsorption and desorption step experiments carried out in sand columns were also modelled with this software and distribution constants were similar to those obtained for pulse. The values of the starting distribution constant provided by batch tests with sand and agricultural soil mixtures establish the maximum value that must be obtained for column modelling. Distribution constants from column experiments obtained by Freundlich and linear isotherms provided very similar results, the latter with more consistent achievement. The modelling results showed longer elution times in the case of the heavier homologues and with a higher percentage of agricultural soil, which would translate into the great persistence of these compounds in the environment. In the case of soil contamination with wastewater-containing surfactants, these results would allow the development of mitigation strategies for these environmental impacts.

Building Information Modelling (BIM) methodology have been optimizing the construction activity in all sectors: multidisciplinary designs development; construction planning and monitoring; building management and maintenance. A BIM environment aggregates several disciplines and different skillsets and in order to control and improve the quality of a BIM project, a BIM manager is required. The BIM manager has the responsibility to coordinate all tasks involved in a building design and associated activities usually workout over the project documents. The professional can access to various discipline models, located in a shared board, and request for amendments if inconsistencies are detected. The present study issue is illustrated with three building cases were distinct specific projects, disciplines and tasks were elaborated: collaboration between disciplines (architecture, structures and construction); structural analyses and reinforcement details; quantity take-off of materials and cost estimation; construction scheduling and simulation. Although there are limitations in the implementation of BIM methodology in all sectors and stages, within the construction industry, BIM have been bringing an important improvement in the quality of a building design, reflected in the quality of the final product. BIM methodology is a current demand in the construction industry supported on advanced technology and in an adequate management of projects, were the BIM manager has an important role.

Recently there has been growing interest in the application of game theory (GT) to solve many diverse problems in the field of construction, including i.a.: tender preparation, selection of a contractor for construction works, negotiating terms and conditions of cooperation of the parties to the contract, analysis and modeling of investment risk. In the authors opinion, the use of GT by general contractor (GC) of construction works to indicate the best strategy leading to winning court proceedings in a situation of conflict with investor (IN), so far has not been the subject of research. Taking into account the above, the aim of the presented paper is to indicate the optimal strategy from the GC point of view in the conflict situation with IN. The article presents a list of the most common causes of conflicts between parties of the construction works' contract, defines the background of the problem and the cause of the dispute, and on its basis, the authors generate the theoretical model of the game. Based on the analyzed game model, expected payoffs for players were calculated and the probability border value at which GC should apply the indicated strategy determined. The results of the study show that in the case when the probability of issuing a judgment favorable for GC is at least equal to 69.23%, it is justified to use an aggressive strategy. The analysis also confirms that from the financial perspective, litigation in most cases of conflicts in the area of construction should be the last choice.

Landform Evolution Modelling (LEM) provides an avenue for simulating how a landscape may evolve over extended time periods of thousands of years. The CAESAR-Lisflood LEM that includes a hydrologic model (TOPMODEL) and a hydraulic model (Lisflood) can be used to assess the proposed final landform morphology of a mine site by simulating how the mine landform and the landscape would evolve over a 1,000-year period. The accuracy of future simulations depends on the calibration and validation of the model to the past and present events. Calibration and validation of the model involves finding a combination of parameters of the model which when applied and simulated gives model outputs similar to those observed for the real site scenario for corresponding input data. Calibrating the sediment output of the CAESAR-Lisflood model at the catchment level and using it for studying the equilibrium conditions of the landform is an area yet to be explored. Therefore, the aim of this study was to calibrate the CAESAR-Lisflood model and then validate it. To achieve this, the model was run for a rainfall event with a set of parameters, plus discharge and sediment data for the input point of the catchment, to analyze how similar the model output would behave when compared with the discharge and sediment data for the output point of the catchment. The model parameters were then adjusted until the model closely approximate the real site values of the catchment. It was then validated by running the model for a different set of events and checking that the model gave similar results to the real site values. The outcomes demonstrated that while the model can be calibrated to a greater extent for hydrology (discharge output) throughout the year, the sediment output calibration may be slightly improved by having the ability to change parameters to take into account the seasonal vegetation growth during the start and end of the wet season. This study is important for designing and testing post-mining rehabilitated landscape systems that assess hydrology and sediment movement in seasonal biomes.

Energy system modelling is an essential practice to assist a set of heterogeneous stakeholders in the process of defining an effective and efficient energy transition. From the analysis of a set of open source energy system models, it has emerged that most models employ an approach directed at finding the optimal solution for a given set of constraints. On the contrary, a simulation model is a representation of a system that is used to reproduce and understand its behaviour under given conditions, without seeking an optimal solution. Given the lack of simulation models that are also fully open source, in this paper a new open source energy system model is presented. The developed tool, called Multi Energy Systems Simulator (MESS), is a modular, multi-node model that allows to investigate non optimal solutions by simulating the energy system. The model has been built having in mind urban level analyses. However, each node can represent larger regions allowing wider spatial scales to be be represented as well. MESS is capable of performing analysis on systems composed by multiple energy carriers (e.g. electricity, heat, fuels). In this work, the tool’s features will be presented by a comparison between MESS itself and an optimization model, in order to analyze and highlight the differences between the two approaches, the potentialities of a simulation tool and possible areas for further development.

In this paper, the research progress on dynamic behaviors of RC structural members is reviewed from experimental, theoretical and numerical perspectives. Firstly, the basic overview, measurement methods, main conclusions and current limitations of available dynamic loading tests are presented. Then the theoretical studies on the dynamic constitutive models of RC materials, the dynamic increase factor (DIF) model for concrete and reinforcing steel and the proposed modified models of dynamic behavior parameter at the structural member level are summarized. Finally, the available modelling approach and the method for incorporating the dynamic effect in numerical simulation of RC structures are reviewed. Moreover, a brief introduction is made to the dynamic hysteretic model established on the experimental data, which provides an alternative approach to consider the dynamic effect beside the commonly used DIF method. This paper provides valuable reference for experimental studies and numerical simulations on the dynamic behaviors of RC structures, and also puts forward some issues that need to be solved in the future research works..

This retrospective study aimed to investigate the effect of known risk factors on nonsurgical periodontal treatment (NSPT) response using a pocket depth fine-tuning multilevel linear model (MLM). Thirty-seven patients (24 males and 13 females) with moderate to severe chronic periodontitis were treated with nonsurgical periodontal therapy. Follow-up visits at 3, 6, and 12 months included measurement of several clinical periodontal parameters. Data were extracted from a database system. Probing depth (PD) and Clinical Attachment Loss (CAL) reductions after NSPT in an overall of 1416 initially affected sites (baseline PD ≥ 4 mm), distributed on 536 teeth, were analyzed against known risk factors at three hierarchical levels (patient, tooth and site). The variance component models fitted to assess the three-level variance of PD and CAL decrease for each post-treatment follow-up showed that all levels contributed significantly to the overall variance (P < 0.001). Patients that underwent NSPT and were continually monitored had very curative results. All three hierarchical levels included risk factors who had impact on the to influence the magnitude of PD and CAL reduction. Specifically, the tooth’s type, surfaces involved and teeth mobility site-level risk factors showed the highest influence on these reductions, being highly relevant factors for the NSPT success.

Digital Terrain Models (DTMs) are currently a fundamental source of information in Earth Sciences. However, DTM-based studies can contain remarkable biases if limitations and inaccuracies of these models are disregarded. In this work, four freely available datasets such as SRTM C-SAR DEM, ASTER GDEM V2 and two airborne LiDAR derived DTMs (at 5 and 1 m spatial resolution, respectively) were analysed in a comparative study in three geomorphologically contrasted catchments located in Mediterranean geoecosystems under intensive human land use influence. Vertical accuracy as well as the influence of each dataset characteristics on hydrological and geomorphological modelling applicability were assessed by using classic geometric and morphometric parameters and the more recently proposed index of sediment connectivity. Overall vertical accuracy – expressed as Root Mean Squared Error (RMSE) and Normalized Median Deviation (NMAD) – revealed the highest accuracy in the cases of the 1 m (RMSE = 1.55 m; NMAD = 0.44 m) and 5 m LiDAR DTMs (RMSE = 1.73 m; NMAD = 0.84 m). Vertical accuracy of SRTM was lower (RMSE = 6.98 m; NMAD = 5.27 m) but considerably higher than in the case of ASTER (RMSE = 16.10 m; NMAD = 11.23 m). All datasets were affected by systematic distortions. As a consequence, propagation of these errors caused negative impacts on flow routing, stream network and catchment delineation and, to a lower extent, on the distribution of slope values. These limitations should be carefully considered when applying DTMs for hydrogeomorphological modelling.

This paper deals with a generic methodology to evaluate the magnetic parameters of contactless power transfer systems. Neumann's integral has been used to create a matrix method that can model the magnetics of single coils (circle, square, rectangle). The principle of superposition has been utilised to extend the theory to multi-coil geometries such as double circular, double rectangle and double rectangle quadrature assuming linearity of magnetics. Numerical and experimental validation has been performed to validate the analytical models developed. A rigorous application of the analysis has been carried out to study misalignment and hence the efficacy of various geometries to misalignment tolerance. Comparison of single-coil and multi-coil shapes considering coupling variation with misalignment, power transferred and maximum efficiency is carried out.

This study aimed at characterizing the composition and performing chemical speciation modelling to determine species that are abundant in the coal fly ash (CFA) and soil samples sourced from Hendrina Power station located in Mpumalanga Province. All CFA samples were alkaline in nature with pH values ranging between 8.11 ± 0.07 and 8.60 ± 0.03 with an electrical conductivity (EC) ranging between 301.70 and 1515.00 µS/cm while EC of control soil was 103.10 µS/cm. The control soil pH was found to be 6.24 ± 0.13 and total organic carbon values ranged between 2.68 and 85.82 mg/kg and some percentage organic carbon values of CFAs were found to be greater than 8%, which is above the permissible limits of hazardous waste dumping. Oxidation-reduction potential values were negative in all CFA samples and positive in soil. The speciation modelling showed that the potential for a trace metal to have hazardous effects in soil systems depends on its concentration, specific form and interactions with other constituents in CFA. The slow release of metals from CFA to soil was assessed by looking at how a given metal is distributed throughout its several possible chemical forms. The presence of divalent cations (Pb2+, Cu2+, Zn2+, etc.) in CFAs might pose a threat to soil quality. In the competition for binding sites on ferric hydroxides, dissolved metal ions faced off against other metals. Protons (H+) were seen to be in competition with Pb, Cu and Zn for the ability to bind to hydroxyl (OH-) groups and this is due to chemical precipitation and surface complexation.

(1) Background: Type-2 Diabetes (T2DM) is a long-term medical disorder characterized by Insulin deficiency and high blood glucose levels. Among other medication to cure T2DM, the review of the literature found that various Pyrimidine derivative act as an agonist for G-protein-coupled receptor 119 (GPR119) was proposed to control blood glucose levels by enhancing the function of pancreatic beta-cells and its mechanism of action with fewer adverse effects.; (2) Methods: In the present research work, in-silico investigations were carried out to investigate the potential of Pyrimidine analogue as an agonists to the protein target GPR119 receptor. We performed exhaustive molecular modelling and protein modelling methodologies such as homology mod-elling, molecular docking along with various drug designing tools such as 3D-QSAR and pharmacophore mapping to ascertain the design of better GPR119 agonists.; (3) Results: On the basis of in-depth computa-tional studies, we designed new pyrimidine moiety and analyzed them for GPR-119 receptor agonist and fur-ther explored the ADME properties. Designed compounds found to exhibit better predicted activities as com-pared to reference compound; (4) Conclusions: The current research on pyrimidine derivatives, using molec-ular docking, 3D-QSAR and Pharmacophore mapping demonstrated that the obtained computational model has significant properties and the designed molecules and Dataset from this model, produced antidiabetic compound against the target GPR119 i.e., compound 1S, 1Z and 1D with the docking score of −11.696, -9.314 and -8.721 respectively. The pharmacokinetics and drug-likeness studies revealed that these compounds may be the future candidate for the treatment of diabetes acting via GPR119 agonist mechanism.

The construction sector of the Kingdom of Saudi Arabia (KSA), valued at USD 152 billion and employing 2.54 million people by 2023, is crucial to its economy. However, it faces challenges such as delays, disputes, and cost overruns. This study aims to address these issues by implementing Building Information Modeling (BIM) in the KSA, based on an extensive literature review highlighting the role and significance of BIM in mitigating construction claims. BIM improves collaboration, communication, and data integration among stakeholders. Hence, this study proposes a comprehensive BIM package framework comprising Revit Architecture, Microsoft Project, and Cost-X to reduce claims effectively. Validated through a KSA claims case study with a USD 1,870,000 claims value and 360-day delay, the BIM package significantly reduced the claims value to USD 188,000 and saved 275 days. Interview sessions were conducted to validate the effectiveness of the BIM package; 95% favored the use of BIM, 86% supported NEC4 contract adoption alongside BIM, 100% acknowledged BIM's potential in reducing design errors, 95% were confident in the case study's accuracy, and 82% were satisfied with data accuracy. This study confirms that BIM is an effective approach for minimizing construction claims in the KSA.

The growth of demand for metallic minerals has faced with the need for new techniques and improving technologies for all mine life cycle operations. Nowadays, the exploitation of old tailings and mine wastes facilities could represent a solution to this demand, with economic and environmental advantages. W-Sn Panasqueira Mine has been operating for more than 100 years. Its first processing plant “Rio” was located near Zêrere river being the mineral processing residues deposited on the top hillside on the margin of this river in Cabeço do Pião tailings dam. The lack of maintenance and monitoring of this enormous structure in the last twenty years represents high risks to the environment and population of the surrounding region. The re-mining of the tailings by hydrometallurgical methods was considered, in order to satisfy these two enounced conditions - metals demand and environmental risk, aiming for the sale of the metal to pay the environmental intervention. Field samples campaign allowed collecting data and results from laboratory tests driving to use regression optimization. The re-mining solution was studied, taking into account the technical, economic, social, and environmental aspects.

Social communication skills, especially eye contact and joint attention, are highly impaired in autism spectrum disorder (ASD) and predict functional outcomes. Applied Behavior Analysis is one of the best evidence-based treatments for ASD, but it is not accessible to most families in low- and middle-income countries (LMICs) as it is a costly and intensive and needs to be delivered by highly specialized professionals. Parental training has emerged as an effective alternative. The aim of this study was to test the efficacy of a parental intervention group via video modeling to acquire eye contact and joint attention. Four graded measures of eye contact and joint attention (full physical prompt, partial physical prompt, gestural prompt, and independent) were assessed in 34 children with ASD and intellectual disability (ID). There was a progressive reduction in the level of prompt required over time to acquire eye contact and joint attention, and a positive correlation between the time of exposure to the intervention and acquisition of the abilities. This parent training using video modelling to teach eye contact and joint attention skills to children with ASD and ID is a low-cost intervention that can be applied in low- resource settings.

To prevent, mitigate and treat movement impairments, we need to recognize early signs of decline and understand how to best compensate for limitations. The mechanisms leading to movement impairments are complex, overlapping, and interdependent and the fields of biomechanics, motor control, and physiology must be combined to understand these mechanisms. This article introduces CaReMoOC, a framework incorporating neuromusculoskeletal capacity (accumulation of neuromusculoskeletal resources over the lifespan), reserve (task-specific difference between capacity and task demand), movement objectives (considerations made to plan a movement), and compensation (use of NMSK resources to respond to the task demand). The framework is demonstrated for healthy ageing, providing an overview of age-related capacity decline (neural, skeletal, muscular system) and shifted weighting of movement objectives (energy, pain, stability, speed) relevant for biomechanics and motor control. Two forms of compensation are Compensation for Capacity, when capacity does not meet the task demands, and Compensation for Movement Objectives, when the movement is changed due to for example a fear of falling. Understanding the interrelationships between decline in the variables within capacity and the effect on compensation strategies will provide benefit in preventing mobility impairments and will support clinicians in their rehabilitation practice.

Fibroblasts, the most abundant cells in the connective tissue, are key modulators of the extracellular matrix (ECM) composition. These spindle-shaped cells are capable of synthesizing various extracellular matrix proteins and collagen. They also provide the structural framework (stroma) for tissues and play a pivotal role in the wound healing process. While they are maintainers of the ECM turnover and regulate several physiological processes, they can also undergo transformations responding to certain stimuli and display aggressive phenotypes that contribute to disease pathophysiology. In this review, we focus on the metabolic pathways of glucose and highlight metabolic reprogramming as a critical event that contributes to the transition of fibroblasts from quiescent to activated and aggressive cells. We also cover the emerging evidence that allows us to draw parallels between fibroblasts in autoimmune disorders and more specifically in rheumatoid arthritis and cancer. We link the metabolic changes of fibroblasts to the toxic environment created by the disease condition and discuss how targeting of metabolic reprogramming could be employed in the treatment of such diseases. Lastly, we discuss Systems Biology approaches, and more specifically, computational modelling, as a means to elucidate pathogenetic mechanisms and accelerate the identification of novel therapeutic targets.

The state of BIM adoption and implementation in facility management in Africa has been regarded as a developmental discourse gradually gaining grounds. While several studies have focused on manual review of the intellectual progression of BIM research, this confined review however understates the evolution of BIM in facility management. This approach therefore is not always representative of the picture of BIM in facility management at its formative stage. This paper aims to present a scientometric review of BIM in facility management exploring the intellectual progress made so far by authors. The state of the art of BIM in facility management research and practice and the challenges debilitating against BIM in facility management research. The review revealed a considerable amount of research endeavours limited by inadequate collaboration acorss organizations and institutions. The study also revealed the low degree of awareness amongst researchers in the AEC sector. While North America and China were leading countries due to the activity of few universities, Africa wasn’t as visible in research endeavours. The study recommended an increase in awareness drive across countries and increased government effort, joint funding for research to include gaps in practice issues.

Nuclear fusion reactors are composed by several complex components whose behaviour may be not certain a priori. This uncertainty may have a significant importance in the evolution of fault transients in the machine, causing unexpected damages to its components. For this reason a suitable method for the uncertainty propagation during those transient is required. The Monte Carlo method would be the reference option, but it is, in most of the cases, not applicable due to the large amount of required simulations to be repeated. In this context the Polynomial Chaos Expansion has been considered as a valuable alternative. It allows to create a surrogate model of the original one in terms of orthogonal polynomials. Then, the uncertainty quantification is performed repeatedly calling this much simpler and faster model. Using the fast current discharge in the Divertor Tokamak Test Toroidal Field (DTT TF) coils as a reference scenario, this method has been applied: the uncertainty on the parameters of the Fast Discharge Unit (FDU) varistor disks is propagated to the simulated electrical and electro-magnetic relevant effects. Eventually two worst case scenarios have been analyzed from the thermal-hydraulic point of view with the 4C code, simulating a fast current discharge as a consequence of a coil quench. Eventually it has been demonstrated that the uncertainty on the inputs (varistor parameters) strongly propagates obtaining a wide range of possible scenarios in case of accidental transients. This result underlines the necessity to take into account and propagate all possible uncertainties in the design of a fusion reactor, according to the Best Estimate Plus Uncertainty approach.

Thin films (100-400 nm) of Ba_xSr_1-xTiO₃ (0≤x≤1) deposited in RF-magnetron co-sputtering equipment are presented in this research work. The change of deposition rate, gap energy, and resistivity as a function of temperature- applied power change in the growth parameters was studied through the ISO colour-code lines constructed with MATLAB: By analysing the trend information and take into account the influence of the calculated "x" parameter with the Boltzmann profile fitting is proposed a method to allow a controlled set up of the RF-magnetron co-sputtering system and predict the E_g and resistivity values in the Ba_xSr_1-xTiO₃ solid solution with 0≤x≤1 for amorphous and crystalline phases. Also, a versatile tool to optimise the deposition process and material properties.

Community ecologists value the phenomenological observation of plant biotic interactions because they provide assumptions to make predictions of other ecosystem features, such as species diversity, community structure, or plant atmospheric carbon uptake. However, a rising number of scientists claim for the need of a mechanistic understanding of plant interactions, due to the limitations that a phenomenological approach raises both in empirical and modeling studies. Scattered studies take a mechanistic approach to plant interactions, but we still lack an integrated theoretical framework to start approaching holistically. In this Review and Synthesis, we present a comprehensive foundation for the study of the mechanisms underpinning the net interaction between two plants. First, we recapitulate the elementary units of plant interactions, i.e. all the known biophysical processes affected by the presence of an influencing plant and the possible phenotypic responses of influenced plants to these processes. Following, we discuss how a net interaction between two plants may emerge from the simultaneous effect of these elementary units. We then touch upon the spatial and temporal variability of this net interaction, and scrutinize how that variability may be linked to the underlying biophysical processes. We conclude by arguing how these processes can be integrated in a mechanistic framework for plant interactions, and why it must necessarily focus on the individual scale, incorporate the spatial structure of the community, and explicitly account for environmental factors.

CAMx-LPiG (Comprehensive Air Quality Model with Extensions – Linear Plume in Grid) is an online hybrid model, based on the Chemistry and Transport Model (CTM) CAMx, that includes a sub-grid scale module to simulate the dispersion of linear road traffic emissions, called LPiG. LPiG is a plume in grid module specifically developed by extending the capabilities of the Lagrangian puff sub-grid model available in CAMx. The online integration of the local scale model within the Eulerian CTM allows for a multiscale simulation of air quality from the regional scale to the urban scale, preserving a coherent description of the chemical state of the atmosphere at all spatial scales and avoiding any double counting of the emissions simulated by the sub-grid module. In this work the model is presented and evaluated against measured NO2 concentrations for the city of Milan for the month of January 2017. The model is able to introduce road traffic induced gradient in NO2 concentration at sub-grid resolution. Moreover, CAMx-LPiG is shown to reduce the bias compared to CAMx stand-alone simulations.

Food processing and consumption involves multiple contacts between biological fluids and solid materials of processing devices of which steel is one of the most common. Due to complexity of these interactions, it is difficult to identify the main control factors in the formation of undesirable deposits on the device surfaces that may affect safety and efficiency of the processes. Mechanistic understanding of biomolecule-metal interactions involving food proteins could improve management of these pertinent industrial processes and consumer safety in food industry and beyond. In this work, we perform a multiscale study of formation of protein corona on iron surfaces and nanoparticles in contact with cow milk proteins. By calculating the binding energies of proteins with the substrate we quantify the adsorption strength and rank proteins by the adsorption affinity. We use a multiscale method involving all-atom and coarse-grained simulations as well as generation of 3D structures of the proteins for this purpose. Finally, using the adsorption energy results, we predict the composition of protein corona on iron nanoparticles and flat surfaces via a competitive adsorption model.

The article presents a simplified method for determining the strength of a corrugated board packaging subjected to dynamic transport loads. The proposed algorithm consists of several calculation steps: (1) a static analysis of the compressive strength of the package, (2) an analysis of random vibrations in the frequency domain, used to determine the resonance frequencies, and (3) a dynamic analysis of the package loaded with computed resonant frequencies. For this purpose, numerical models of the static compression test of the packaging before and after the dynamic analysis of the package subjected to general transport loads were developed. In order to validate the model, the laboratory packaging compression tests were also performed for samples of boxes with 3-layer cardboard. Thanks to this, it was possible to verify the results of numerical simulations of compression tests for several box geometries. Which, in turn, allowed for the development of a method based on dynamic and post-dynamic (static) numerical analysis, allowing to determine with high accuracy the resistance of selected packaging to vibrations and dynamic loads. The results of the (validated experimentally) numerical analysis prove the usefulness of the simplified method presented here for precise estimation of the load capacity of various packages dynamically loaded during transport.

Long-term durability of the vacuum edge-seal plays a significant part in retrofitting triple vacuum glazing (TVG) to existing buildings in achieving towards zero-energy buildings (ZEB) target. Vacuum pressure decrement with respect to time between panes affect the thermal efficiency of TVG. This study reports a 3D finite element model, with validated mathematical methods and comparison, for the assessment of the influence of vacuum pressure diminution on the thermal transmittance (U value) of TVG. The centre-of-pane and total U values of TVG calculated to be 0.28 Wm⁻²K⁻¹ and 0.94 Wm⁻²K⁻¹ at the cavity vacuum pressure of 0.001 Pa. The results suggests that a rise in cavity pressure from 0.001 Pa to 100 kPa increases the centre-of-pane and total U values from 0.28 Wm⁻²K⁻¹ and 0.94 Wm⁻²K⁻¹ to 2.4 Wm⁻²K⁻¹ and 2.58 Wm⁻²K⁻¹, respectively. The temperature descent on the surfaces of TVG between hot and cold sides’ increases by decreasing the cavity vacuum pressure from 50 kPa to 0.001 Pa. To maintain the cavity vacuum pressure of 0.001 Pa for over 20 years of life span in the cavity of 10 mm wide edge sealed triple vacuum glazing, non-evaporable getters will maintain the cavity vacuum pressure that will enable the long-term durability to TVG.

Micro elastofluidics is a transformative branch of microfluidics, leveraging fluid-structure interaction (FSI) at the microscale to enhance the functionality and efficiency of various microdevices. This review paper elucidates the critical role of advanced computational FSI methods in the field of micro elastofluidics. By focusing on the interplay between fluid mechanics and structural responses, these computational methods facilitate the intricate design and optimisation of microdevices such as microvalves, micropumps, and micromixers, which rely on the precise control of fluidic and structural dynamics. In addition, these computational tools extend to the development of biomedical devices, enabling precise particle manipulation and enhancing therapeutic outcomes in cardiovascular applications. Furthermore, this paper addresses the current challenges in computational FSI and highlights the necessity for further development of tools to tackle complex, time-dependent models under microfluidic environments and varying conditions. Our review highlights the expanding potential of FSI in micro elastofluidics, offering a roadmap for future research and development in this promising area.

In view of the expected climate changes, a paradigm shift in soil management, through reduced tillage and/or a different use of crop residues, can be a key point in the mitigation of the climate impacts. The transition from a traditional cropping system (i.e., durum wheat in continuous cropping system under conventional tillage and/or straw removal) to those undergoing the conservative practices require to be evaluated in a medium to long time frame to reach an equilibrium and thus to be properly investigated. In this regard, cropping system simulation models are fundamental tools for the in-silico evaluation of the response of crop growth and soil organic matter dynamics to varying cropping scenarios. This paper reports the evaluations on the parameterization and reliability of the ARMOSA crop simulation model calibrated and validated on experimental datasets collected on durum wheat grown in continuous cropping system under several straw and soil management strategies in a Mediterranean environment.

The efficiency success status of organization built environment assets management needs robust and comprehensive maintenance processes which depends on the efficiency of the contract information documents for the maintenance management within the assets life cycle and achieve positive return of the investments. Therefore, this paper highlights on the appropriate interactive approach to structuring information flow scope of the asset facilities management contract for construction projects based on GIS and BIM integration processes, sustainability standards, and As-built contractual documents of the project to support the organization owner and stakeholder to improve the asset management processes. Using expert interviews with comprehensive understand for the information type in several facility management contracts conducted in common Organization types based on reviewing available international facility management standards manual and contract of procedures for different services types, and required information flow inside international facility management firms. The study classify and build significant integrated information and data flow model contract drafting with measures and indicators of performance efficiency as guideline for monitoring, technically evaluating, and financially procedures for performance efficiency and quality of services provided in the facilities management contract for King Faisal University campus projects as a case study.

This paper presents a parametric study of the multistorey hydro-powered pump, known as "Bunyip," which has demonstrated significant potential in contributing to rural regions. The study aims to understand the underlying physics of the system and enhance its hydraulic performance. A transient three-dimensional model using the commercial Computational Fluid Dynamics (CFD) tool Ansys-Fluent is utilized to gain insights into the fundamental flow mechanics, operational efficiency, standard capacity, and relative delivery. The investigation involves an initial assessment of performance for three Bunyip devices based on manufacturing data. Parametric analysis is conducted, and a parametric dataset is generated through meticulous application and numerical modelling. The CFD results are validated against experimental data. Three design configurations are considered, and 58 sets of varied input parameters are examined. The best design configuration is evaluated against five cases of conventional hydro-power pump systems. The results indicate that a smaller diameter of the pressure chamber and a higher supply head lead to higher pressure, achieving a target head of 3 m with 15% efficiency and a flowrate of 11.82 l/min.

Prediction markets are heralded as powerful forecasting tools, but models to describe them often fail to capture the full complexity of the underlying mechanisms that drive price dynamics. To address this issue, we propose a model in which agents belong in a social network, have an opinion about the probability of a particular event to occur, and bet on the prediction market accordingly. Agents update their opinions about the event by interacting with their neighbours in the network, following the Deffuant model of opinion dynamics. Our results suggest that a simple market model that takes into account opinion formation dynamics is capable to replicate the empirical properties of historical prediction market time series, including volatility clustering and fat-tailed distribution of returns. Interestingly, the best results are obtained when there is the right level of variance in the opinions of the agents. Moreover, this paper provides a new way to indirectly validate opinion dynamics models against real data by using historical data obtained from PredictIt, an exchange platform whose data has never been used before to validate models of opinion diffusion.

With advances in the development of autonomous vehicles (AVs), more attention has been paid to the effects caused by adverse weather conditions on them. It is well known that the performance of self-driving vehicles is reduced when they are exposed to stressors that impair visibility or generate water or snow accumulation on sensor surfaces. This paper proposes a model to quantify weather precipitation, such as rain and snow, perceived by moving vehicles based on outdoor data. The modelling covers a wide range of parameters, such as varying wind direction and realistic particle size distributions. The model allows the calculation of precipitation intensity on inclined surfaces of different orientations and on a circular driving path. The modelling results were partially validated against direct measurements carried out by a test vehicle. The model outputs showed strong correlation with the experimental data for both rain and snow. Mitigation strategies for heavy precipitation on vehicles can be developed and correlations between precipitation rate and accumulation level can be traced using the presented analytical model. Dimensional Analysis of the problem has highlighted the critical parameters that can help the design of future experiments. The obtained results highlight the importance of the angle of the sensing surface on the perceived precipitation level. The proposed model is used to analyze optimal orientations for minimization of the precipitation flux, which can help to determine the positioning of sensors on the surface of autonomous vehicles.

False positives on multiparametric (mp)-MRI result in a large number of unnecessary biopsies in men with clinically insignificant diseases. This study investigates whether quantitative diffusion MRI can improve differentiation between false positives, true positives and normal tis-sue. Twenty-three patients underwent mp-MRI and Vascular, Extracellular and Restricted Diffu-sion for Cytometry in Tumours (VERDICT)-MRI, followed by transperineal biopsy. The patients were categorised into two groups following biopsy: (1) significant cancer - true positive (2) atro-phy/inflammation/high-grade prostatic intraepithelial neoplasia (PIN) - false positive. The clinical apparent diffusion coefficient (ADC) values of the lesions were obtained, and the intravoxel inco-herent motion (IVIM), diffusion kurtosis imaging (DKI) and VERDICT models were fitted using a deep learning approach. Significant differences (p < 0.05) between true positive and false positive lesions were found in ADC, IVIM perfusion fraction (f) and diffusivity (D), DKI diffusivity (DK) and kurtosis (K) and VERDICT intracellular volume fraction (fIC), extracellular-extravascular vol-ume fraction (fEES) and diffusivity (dEES) values. Significant differences between false positives and normal tissue were only found for the VERDICT fIC. These results demonstrate that model-based diffusion MRI could reduce the number of unnecessary biopsies due to false positive prostate lesions and shows promising sensitivity to benign diseases that mimic cancer.

We present improvements in n-best rescoring of code-switched speech achieved by n-gram augmentation as well as optimised pretraining of long short-term memory (LSTM) language models with larger corpora of out-of-domain monolingual text. In addition, we consider the application of large pretrained transformer-based architectures. Our experimental evaluation is performed on an under-resourced corpus of code-switched speech comprising four bilingual code-switched sub-corpora, each containing a Bantu language (isiZulu, isiXhosa, Sesotho, or Setswana) and English. We find in our experiments that, by combining n-gram augmentation with the optimised pretraining strategy, speech recognition errors are reduced for each individual bilingual pair by 3.51% absolute on average over the four corpora. Importantly, we find that even speech recognition at language boundaries improves by 1.14% even though the additional data is monolingual. Utilising the augmented n-grams for lattice generation, we then contrast these improvements with those achieved after fine-tuning pretrained transformer-based models such as distilled GPT-2 and M-BERT. We find that, even though these language models have not been trained on any of our target languages, they can improve speech recognition performance even in zero-shot settings. After fine-tuning on in-domain data, these large architectures offer further improvements, achieving a 4.45% absolute decrease in overall speech recognition errors and a 3.52% improvement over language boundaries. Finally, a combination of the optimised LSTM and fine-tuned BERT models achieves a further gain of 0.47% absolute on average for three of the four language pairs compared to M-BERT. We conclude that the careful optimisation of the pretraining strategy used for neural network language models can offer worthwhile improvements in speech recognition accuracy even at language switches, and that much larger state-of-the-art architectures such as GPT-2 and M-BERT promise even further gains.

For the majority of the contractual arrangements used in construction projects, the owner is not responsible for the cost deviations due to the variability of labor productivity or material price, amongst many other aspects. Consequently, the cost performance of a project may be entirely distinct for the owner and the contractor. Since the majority of the quantitative research on cost estimation and deviation found in the literature adopts the owners’ perspective, this research provides a contribution towards modelling costs and cost deviation from a contractors’ perspective. From an initial sample of 13 residential building and 10 office building projects, it was possible to develop models for cost estimation at the early stage of development including both endogenous and exogenous variables. Although the sample is relatively small, the authors were able to fully analyze all the cost data, using no secondary sources of data (very frequent in cost modelling studies). The statistically significant variables in the cost estimation models were the areas above and below ground and the years following the 2008 financial crisis, including the international bailout (2011-2014) period. For estimating the unit cost, a nonlinear model was obtained with the number of underground and total floor, the floor ratio and the years following the 2008 financial crisis, including the international bailout (2011-2014) period as predictors. For the office buildings, it was also found a statistically significant correlation between the cost deviation and the number of underground floors.

Melatonin is a hormone used for treating several disorders. However, its oral administration is problematic due to the variable absorption and extensive first-pass metabolism. The topical application of this drug does not present these disadvantages and can be used for therapeutic and skin protection purposes. The adsorption and release of melatonin in the montmorillonite clay was investigated experimentally and theoretically. The drug-clay interaction products were prepared and characterized, showing a modified and improved diffusion and release of melatonin. The crystal structure and spectroscopic properties of melatonin and melatonin-water-mineral materials were studied by molecular modeling, finding that the adsorption of this drug is energetically favourable, and the results were consistent with the experimental data. Ab initio molecular dynamics simulations with the metadynamics methodology showed the release of melatonin from the confined interlayer nanospace of montmorillonite to the liquid bulk water with a 20 kcal/mol free energy barrier.

Soils provide important regulating ecosystem services and have crucial implications for human well-being and environmental conservation. However, soil degradation and particularly soil erosion jeopardize the maintenance and existence of these services. This study explores the spatio-temporal relationships of soil erosion to understand the distribution patterns of sediment retention services in mainland Portugal. Based on Corine Land Cover maps from 1990 to 2018, the InVEST Sediment Delivery Ratio (SDR) model was used to evaluate the influence of sediment dynamics for soil and water conservation. Spatial differences in the sediment retention levels were observed within the NUTS III boundaries, showing which areas are more vulnerable to soil erosion processes. Results indicated that the Region of Leiria, Douro and the coastal regions have decreased importantly sediment retention capacity over the years. However, in most of the territory (77.52%) changes in sediment retention were little or not important (i.e., less than 5%). The statistical validation of the model proved the consistency of the results, highlighting the usefulness of this methodology to analyse the state of soil erosion in the country. These findings can be relevant to support strategies for more efficient land use planning regarding soil erosion mitigation practices.

Aim: To establish, through molecular modelling, safe and clinically acceptable putative antagonists of E571K-mutated exportin-1 among the bioactive compounds in various parts of Juglans mandshurica. Methods: The bioactive compounds were subjected to compendium of druglikeness and lead-likeness filter workflows prior to docking of the resultant compounds into E571K exportin-1 active site using PyRx AutoDock vina to establish their binding affinity and interaction profile. The evolutionary algorithm of Osiris property explorer DataWarrior software as well as lead-likeness filter were employed for generation of novel non-promiscuous analogues of the lead compound with better putative selectivity and clinical acceptability as E571K Exportin-1 antagonists.Results: The findings of this study present taxifolin as the putatively effective and lead-like E571K Exportin-1 inhibitor with high potential of qualifying for clinical evaluation but is associated with high promiscuity tendency in high throughput screening. The evolutionary derivation of novel analogues of the compound, however, results in the generation of putatively non-promiscuous, non-toxic, and lead-like E571K Exportin-1 antagonists with high synthetic accessibility and clinical developability for evaluation in the strategy for treatment of drug-resistant KRAS-mutant lung adenocarcinoma condition.

An autonomous endogenous time-keeping is ubiquitous across many living organisms known as circadian clock when it has a period of about 24 hours. Interestingly, the fundamental design principle with a network of interconnected negative and positive feedback loops is conserved through evolution, although the molecular components differ. Filamentous fungus \textit{Neurospora crassa} is a well established chrono-genetics model organism to investigate the underlying mechanisms. The core negative feedback loop of the clock of \textit{Neurospora} is composed of the transcription activator White Collar Complex (WCC) (heterodimer of WC1 and WC2) and the inhibitory element called FFC complex which is made of FRQ (Frequency protein), FRH (Frequency interacting RNA Helicase) and CK1a (Casein kinase 1a). While exploring their temporal dynamics we investigate how limit cycle oscillations arise and how molecular switches support self-sustained rhythms. We develop a mathematical model of 10 variables with 26 parameters to understand the interactions and feedbacks among WC1 and FFC elements in nuclear and cytoplasmic compartments. We performed control and bifurcation analysis to show that our novel model produces robust oscillations with a wild-type period of 22.5 hrs. Our model reveals a switch between WC1 induced transcription and FFC assisted inactivation of WC1. Using the new model we also study possible mechanisms of glucose compensation. A fairly simple model with just 3 non-linearities helps to elucidate clock dynamics revealing a mechanism of rhythms production. The model can further be utilized to study entrainment and temperature compensation.

Numerical modelling is becoming a major tool for supporting environmental studies at different scales, thanks to the capability of up-to-date codes in reproducing the natural behaviour in a quite reliable manner. In evaluating the habitat diversity of anthropized rivers, however, many issues are rising because of the intrinsic complexity of the processes involved. Using a reach of the Po River in Italy as a case study, the present works aims to provide an estimate of the changes of the Eco-Environmental Diversity as a response to different constant flow discharges. The goals are achieved by means of two solvers of the iRIC suite, applied in sequence to firstly simulate the fluvial hydrodynamics and subsequently provide an estimate of the habitat conditions. Despite the simplifications intrinsically present in the models and the ones introduced for practical purposes, the results pointed out that the reduction of the flow discharge recently observed can threat the overall biological status of the river. Because of the modelling uncertainties, on the other side, these preliminary outcomes show the need for more research, both in terms of data acquisition and numerical schematization, for adequately evaluate the effects of transient hydrology on the river ecosystems. Moreover, additional field surveys are necessary to calibrate and validate the used model for having sufficiently reliable estimates.

The search for graphene or few layer graphene production methods that are simple, allow mass production and yield good quality material continues to provoke intense investigation. The present work contributes through the study of the aqueous exfoliation of four types of graphene sources, namely graphite and graphite nanoflakes with different morphologies and geographical origin. The exfoliation was achieved in an aqueous solution of a soluble pyrene derivative that was synthesized to achieve maximum interaction with the graphene surface at low concentration (5 x 10-5 M). The yield of bilayer and few layer graphene obtained was quantified by Raman spectroscopic analysis and the adsorption of the pyrene derivative on the graphene surface was studied by thermogravimetric analysis and X-ray diffraction. The whole procedure was rationalized with the help of molecular modeling.

To date, several different approaches are available to study sediment dynamics at reach or watershed scale, based on very different hypothesis. One of such assumptions, the so-called “morphodynamic equilibrium hypothesis” is becoming little unpopular for its embedded simplifications. The aim of this work is to demonstrate how this approach proves yet effective in modelling landscape morphodynamics at the watershed scale, for what concerns the longitudinal profile of a river and the sedimentary aspects. The application of a 1-D model based on the equilibrium hypothesis has been implemented for several large rivers worldwide. Geomorphological parameters have been analysed, which describe the evolution of longitudinal profile (concavity) and sediments characteristics (aggrading and fining), and the results show a reasonably good correspondence with qualitative estimation of the same parameters. At the scale of analysis and for the chosen systems, which show high inertia to geomorphological changes likely owing to their longitudinal extension, the model can detect where the present conditions reflect a big disturbance to the “natural equilibrium” thus allowing water managers to identify present issues to be addressed.

The asymmetric bimodal exponential power (ABEP) distribution is an extension of the generalized gamma distribution to the real line via adding two parameters which fit the shape of peakedness in bimodality on real line. The special values of peakedness parameters of the distribution are combination of half Laplace and half normal distributions on real line. The distribution has two parameters fitting the height of bimodality, so capacity of bimodality is enhanced by using these parameters. Adding a skewness parameter is considered to model asymmetry in data. The location-scale form of this distribution is proposed. The Fisher information matrix of these parameters in ABEP is obtained explicitly. Properties of ABEP are examined. Real data examples are given to illustrate the modelling capacity of ABEP. The replicated artificial data from maximum likelihood estimates of parameters of ABEP and distributions having an algorithm for artificial data generation procedure are provided to test the similarity with real data.

The Cape Restionaceae species, an endemic of the Fynbos Biome, is threatened by urbanization, alien plant invasion, agricultural expansion, and groundwater extraction. This is further worsened by the semi-arid conditions and hydrological variability factors, which influences species niche dynamics. Therefore, it is important to assess and monitor the Restionaceae species for preservation of their endemism and richness. This study models the hydrological niche and distribution changes of Restionaceae species at the New Years Peak (NYP) at microclimate level for biodiversity conservation. MaxEnt modelling and GIS analytical approaches were applied at various stages in niche modelling process as follows: (i) microclimatic input raster layers’ generation, (ii) ecological modelling and hydrological niche manipulation, and (iii) spatial distributional change mapping. The hydrological niches of the Restionaceae were effectively examined under the recent climate and compared with RCP2.6 and RCP8.5 future climate scenarios as the microscale environmental inputs. The results showed that most of the studied Restionaceae species positioned themselves along a hydrological gradient. Each species tolerated a range of hydrological conditions, which formed their hydrological niche. Changing climate would cause both positive and negative species range shifts. The study assists in plant species conservation and future climate change impact analysis on endangered plant species.

At present European buildings typically consume two to five times more energy than predicted at the design stage. An important cause of this performance gap is the discrepancies between the design specification and the As-Built condition. Such discrepancies are mainly due to the gaps in knowhow between design, production and construction professionals. Design is more and more contained into a virtual environment and loses touch with the physical production and construction sites. As the construction sector enters the Industry 4.0 era, Building Information Modelling (BIM) based Mixed Reality can intertwine virtual and real worlds to bridge the knowhow gaps.

Electric Vehicles (EVs) are increasing the interdependence of transportation policies and the electricity market. EMMEV (Electricity Market Model with Electric Vehicles) is an experimental agent-based model that analyses how carbon reduction policy in transportation may increase number of Electric Vehicles and how does that would influence on the electricity price. Agents are ESCOs (Energy Service Providers) which can distribute fuels and their objective is to maximize their profit. In this paper, EMMEV is used to analyze the impacts of the LCFS (Low Carbon Fuel Standard), a performance-based policy instrument, on electricity prices and EV sales. The agents in EMMEV/regulated parties in LCFS should meet a certain CI (Carbon Intensity) target for their distributed fuel. In case, they cannot meet the target, they should buy credit to compensate for their shortfall and if they exceed, they can sell their excess. The results, considering the assumptions and limitations of the model, show that the banking strategy of the agents contributing in the LCFS might have negative impact on penetration of EVs, unless there is a regular Credit Clearance to trade credits. It is also shown that the electricity price as result of implementing the LCFS and increasing number of EVs has increased between 2–3 percent depending on banking strategy.

This study explores the integration of Building Information Modelling (BIM) and Virtual Tours in the Architecture Engineering and Construction (AEC) industry, focusing on Facility Management (FM) and Computerized Maintenance Management Systems (CMMS). The research addresses the need for different levels of detail in BIMs across various building phases and the potential of Virtual Tours as a complement to BIMs in IoT-based FM. The study’s methodology includes a literature review, a pilot-demonstrator case study, installation of monitoring and IoT control devices, execution of BIMs and Virtual Tour models, and development of links between system elements. The case study is based on the Controlled Environments for Living Lab Studies (CELLS), a unique facility designed for flexible monitoring and remote-control processes. The findings of this research could provide valuable insights into the potential of Virtual Tours to complement and connect to BIMs within a life cycle perspective, enhancing the usability of digital twins for nontrained users and contributing to the evolution of the AEC industry.

Emissions from wood burning for heating in secondary homes or cabins is an important aspect for the development of high-resolution emission inventories in specific areas. Norway is used as case study as the national wood consumption for heating in cabins is around 20% of the total. Our study shows first a method to estimate emissions from cabins based on traffic data to derive cabin occupancy, which combined with heating need allows for the spatial and temporal distribution of emissions. The combination of residential (RWC) and cabin wood combustion (CWC) emissions shows large spatial and temporal differences, and a temporally “cabin population” can in areas be orders of magnitude larger than the registered population. While RWC emissions have been steadily reduced, CWC have kept relatively constant or even increased, which results on an increase in the cabin share to total heating emissions up to 25-35%. When comparing with regional emissions inventories, our study shows that the gradient between rural and urban areas is not well represented in regional emissions inventories, which resembles a population-based distribution and does not allocate emissions in cabin municipalities. At last, our study shows that CWC emissions may become an increasing environmental concern as higher densification trends in mountain areas are observed.

Growth models of uneven-aged forests on the diameter class level can support silvicultural decision making. Machine learning brings added value to the modeling of dynamics at the stand or individual tree level based on data from permanent plots. The objective of this study is to explore the potential of machine learning for modeling growth dynamics in uneven-aged forests at the diameter class level based on inventory data from practice. Two main modeling approaches are conducted and compared: i) fine-tuned linear models differentiated per diameter class, ii) an artificial neural network (multilayer perceptron) trained on all diameter classes. The models are trained on the inventory data of the Canton of Neuchâtel (Switzerland), which are area-wide data without individual tree-level growth monitoring. Both approaches produce convincing results for predicting future diameter distributions. The linear models perform better at the individual diameter class level with test R2 typically between 50 and 70% for predicting increments in the numbers of stems at the diameter class level. From a methodological perspective, the multilayer perceptron implementation is much simpler than the fine-tuning of linear models. The linear models developed in this study achieve sufficient performance for practical decision support.

The development of high complexity geometry parts is one of the main goals of the additive manufacturing technology. However, the failure of printed structures and the joining of different parts to create complex assemblies represents a real challenge in the research of efficient and sustainability techniques for the permanent assembly of polymers. Laser welding processes have been used as a single step method to join metals until years ago. Nowadays, the growing trend in the use of thermoplastics for additive manufacturing has led to the need to adapt this technique to materials with a very specific nature and more sensitive to thermal effects. Also, the possibility of transmitting the laser beam through transparent polymer layers allows to focus the energy supply on internal sections of the assembled components. In this research, an infrared laser marking system was used to join two different samples of polylactic acid manufactured by fused deposited modeling technology. In order to increase the effectiveness of the bonding process, a transparent and a dark sample have been used as assembly material, focusing the laser beam on the interface area of the two parts. By means of tensile tests, dimensional measurement and the use of optical microscopy techniques, a basis was established that links the supplied energy by laser to the joining performance.

Sub-Saharan social-ecological systems are undergoing changes in environmental conditions, including modifications in rainfall pattern and biodiversity loss. Consequences of such changes depend on complex causal chains which call for integrated management strategies whose efficiency could benefit from ecosystem dynamic modelling. However, ecosystem models often require lots of quantitative information for estimating parameters, which is often unavailable. Alternatively, qualitative modelling frameworks have proved useful for explaining ecosystem response to perturbations, while requiring fewer information and providing more general predictions. However, current qualitative methods have some shortcomings which may limit their utility for specific issues. In this paper, we propose the Ecological Discrete-Event Network (EDEN), an innovative qualitative dynamic modelling framework based on "if-then" rules which generates many alternative event sequences (trajectories). Based on expert knowledge, observations and literature, we use this framework to assess the effect of permanent changes in surface water and herbivores diversity on vegetation and socio-economic transitions in an East African savanna. Results show that water availability drives changes in vegetation and socio-economic transitions, while herbivore functional groups had highly contrasted effects depending on the group. This first use of EDEN in a savanna context is promising for bridging expert knowledge and ecosystem modelling.

In the Lower Yarmouk Gorge the chemical composition of regional, fresh to brackish, mostly thermal groundwater reveal a zonation in respect to salinization and geochemical evolution, which is seemingly controlled by the Lower Yarmouk fault (LYF) but does not strictly follow the morphological Yarmouk Gorge. South of LYF the artesian Mukeihbeh well field produces in its central segment groundwaters of almost pure basaltic-rock type with low contribution (<0.3 vol-%) of Tertiary brine, hosted in deep Cretaceous and Jurassic formations. Further distal, the contribution of limestone water increases originating from the Ajloun Mts. North of the LYF, the Mezar wells, the springs of Hammat Gader and Ain Himma produce dominantly limestone water, which contains 0.14-3 vol-% of the Tertiary brine and possess hence variable salinity. The total dissolved equivalents of solutes gained by water/rock interaction (WRI) and mixing with brine, TDE(WRI+brine), amounts to 10-70 % in the region comprising the Mukheibeh field, Ain Himma and Mezar 3 well, to 55-70 % in the springs of Hammat Gader, and to 80-90 % in wells Mezar 1 and 2. The type of salinization indicates that the Lower Yarmouk fault seemingly acts as the divide between the Ajloun and the Golan Heigths dominated groundwater.

There are important challenges for modeling large electrical distribution circuits, even more with the presence of distributed renewable generation. Constructing simulations for assessing the effect of the penetration of distributed generation on electrical distribution networks has become of great importance for Distribution Network Operators (DNOs). This paper proposes a simulation strategy based on open-source platforms and the integration of scripting tools for the rapid modeling of large-scale electrical distribution circuits with distributed renewable generation. The implementation is based on the adaptation of a tool called QGIS2OpenDSS, which creates OpenDSS distribution network models directly from an open-source geographic information system, QGIS. The plugin’s capabilities are demonstrated using a real distribution feeder with more than 60% penetration of renewable generation based on photovoltaic systems. These simulations are carried out using real data from a circuit provided by a DNO in the Dominican Republic, which is used to demonstrate how this approach provides a more accessible and flexible way to simulate and assess the effect of Distributed Energy Resources (DERs) in Medium Voltage (MV) and Low Voltage (LV) networks, enabling utilities to evaluate system performance and identify potential issues.

The rapid growth of the organic food market in Italy and in other developed countries has drawn the attention of researchers and practitioners. The diffusion of pro-environmental concerns and sustainable lifestyles among consumers are often cited as two of the main drivers of the increase in demand for organic food products. Consequently, unveiling the factors that influence consumers’ demand of, and preference for organic food is essential for all the actors involved in the supply chain. This paper presents the results of a research model which relates organic food purchase intention to consumers’ green consciousness, health motivations, food safety concerns, organic product knowledge, family and social context and perception of the intrinsic quality of food. A questionnaire, based on the Theory of Planned Behavior (TPB) and the extant literature on organic food choice, was developed and presented to a sample of 600 Italian consumers. Causal relations among variables were then tested using Structural Equation Modelling. The results suggest that, besides the existence of green consciousness, other variables may affect consumers’ preference for organic food: among these, specific and closely interlinked elements, such as food safety concerns and perceived quality heavily affected the intention to buy organic food products.

We aimed to directly compare the cost-effectiveness of the NELSON and NLST screening protocols, two trials influencing lung cancer screening implementation internationally. A decision-analytic model analyzing the cost-effectiveness of the NELSON protocols was manipulated to reflect the protocols of the NLST, while maintaining features specific to the Hungarian healthcare setting. In the NELSON protocol, there are three possible outcomes to the initial round of screening: positive, negative, or indeterminate, indicating an uncertain degree of suspicion for lung cancer. This pro-tocol differs from the NLST protocol, in which the only possible screening outcomes are positive or negative, with no indeterminate option. The NLST pathway for smokers aged 55-74 resulted in a 43 € increase in total average lifetime costs compared to the Hungarian screening pathway and re-sulted in a lifetime gain of 0.006 QALYs. The incremental costs and QALYs yield an ICER of 7875 €/QALY. Our results demonstrate that assigning any suspicious LDCT screen as a positive result (NLST protocol) rather than indeterminate (NELSON protocol) can yield a slight QALY gain that is worth the additional use of resources according to Hungary’s willingness to pay threshold. Our study provides insight on the cost-effectiveness, advantages, and disadvantages of various LDCT screening protocols for lung cancer and can assist other countries as they implement their screening programs.

In this paper, a systematic literature review is presented, through a survey in the main digital databases, about modelling methods for Short-Term Load Forecasting (STLF) for hourly electricity demand for residential electricity and to realize the performance evolution and impact of the Artificial Intelligent (AI) in STLF. With these specific objectives, it was developed a conceptual framework on the subject, a systematic review of the literature based on scientific publications with high impact and a bibliometric study directed to the scientific production of AI and STLF. The review of research articles over a 10-year period, which takes place between 2012-2022, uses the Preferred Reporting Items for Systematic and Meta-Analyses (PRISMA) method. This research resulted in more than 300 articles, available in 4 (four) databases: Web of Science, IEEE Xplore, Scopus and Science Direct. The research was organized around 3 (three) central themes, which were defined through keywords: STLF, Electricity, Residential and their corresponding synonyms. 334 research articles were analyzed and identified the year of publication, journal, author, geography by continent and country and the area of application. Of the 334 documents found in the initial research and after applying the inclusion/exclusion criteria, which allowed delimiting the subject addressed in the topics of interest for analysis, 37 (thirty-seven) documents are in English (25 are journal articles and 12 are conference papers). The results point to a diversity of modelling techniques and associated algorithms. The corresponding performance is measured with different metrics and, therefore, cannot be compared directly. Hence, it should be desirable to have a unified data set together with a set of benchmarks with well-defined metrics for a clear comparison of all the modelling techniques and the corresponding algorithms.

The effect of river fronts on oil slick transport has been demonstrated using high resolution forcing models and a fully fledged oil drift model, OpenOil. The model system is used to simulate the 2010 DeepWater Horizon oil spill. Metocean forcing data are taken from the GoM-HYCOM 1/50° ocean model with realistic river input and ECMWF global forecast products of wind and wave parameters with 1/8° resolution. The simulations are initialized from satellite observations of the surface oil patch. OpenOil includes most of the relevant processes, such as emulsification, evaporation, wave entrainment, stranding and droplet formation. The model takes account of the actual oil type and properties, using the ADIOS oil weathering database of NOAA. The effect of using a newly developed parameterization for oil droplet size distribution is studied and compared to a traditional algorithm. Although the algorithms provide different distributions for a single wave breaking event, it is found that the net difference after long simulations is negligible, indicating that the outcome is robust regarding the choice of parameterization. That indicates that the wave entrainment, vertical mixing and re-surfacing mechanisms that are part of OpenOil are more important for determining the final droplet size spectrum than the spectrum prescribed for individual wave breaking events. In both cases, the size of the droplets controls how much oil is present at the surface and hence are subject to wind and Stokes drift. The effect of removing river outflow in the ocean model is investigated in order to showcase effects of river induced fronts on oil spreading. A consistent effect on the amount and location of stranded oil is found, and considerable impact of river induced fronts is seen on the location of the surface oil patch. During a case with large river outflow (May 20-27, 2010), the total amount of stranded oil is reduced by about 50% in the simulation with no river input. The results compares well with satellite observations of the surface oil patch.