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Abstract Wastewater-based epidemiology (WBE) has been previously used as a tool for pathogen identification within communities. After the SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) outbreak, in 2020, Daughton proposed the implementation of a wastewater surveillance strategy that could determine the incidence of COVID-19 (coronavirus disease 2019) nationally. Individuals in various stages of SARS-CoV-2 infection, including presymptomatic, asymptomatic and symptomatic patients, can be identified as carriers of the virus in their urine, saliva, stool and other bodily secretions. Studies using this method were conducted to monitor the prevalence of the virus in high-density populations, such as cities but also in smaller communities, such as schools and college campuses. The aim of this pilot study was to assess the feasibility and effectiveness of wastewater surveillance in Bucharest, Romania, and wastewater samples were collected weekly from seven locations between July and September 2023. RNA (ribonucleic acid) extraction, followed by dPCR (digital polymerase chain reaction) analysis, was performed to detect viral genetic material. Additionally, NGS (next generation sequencing) technology was used to identify the circulating variants within the wastewater of Bucharest, Romania. Preliminary results indicate the successful detection of SARS-CoV-2 RNA in wastewater, providing valuable insights into the circulation of the virus within the community.

Microplastics (plastic particles < 5 mm) are ubiquitous pollutants that have the ability to carry microbiota, including pathogens. Microbial adhesion is usually a sign of pathogenicity; thus, we investigated the adherent microbiota found on 4 mm nylon strips, which were ingested and excreted by wild fish specimens. Retention times were recorded and the polymer analysis of the excreted samples was performed, which showed no signs of degradation, nor did their controls, represented by the nylon strips submerged in the same water tanks. Both the ingested samples and controls presented pathogens in large quantities. Following Matrix-Assisted Laser Desorption/Ionization Time-Of-Flight identification, the dominant genus was represented by Aeromonas, revealing the fact that nylon microplastics can serve as undegradable physical carriers for this pathogen, among others, in the aquatic environment.

Small lowland watercourses, strongly exposed to anthropogenic activities and climate change, have received negligible odonatological attention. This study provides a revised checklist of three typical lowland small watercourses (Kállai-főfolyás, Konyári-Kálló and Ölyvös) within the Pannonian Lowland and presents the changes in their diversity over the past decades. Results revealed a significant biodiversity loss, with a 31.6% decline in Odonata fauna over the last 53 years. The upper and middle sections degraded the most, where the habitats have dried out or become intermittent. However, a diverse Odonata assemblage (1,277 individuals of 27 species) was observed at the 14 sampling sites of the three watercourses, containing protected and sensitive species (Somatochlora flavomaculata, Orthetrum brunneum, Aeshna isoceles, Libellula fulva). However, the low abundance of larval and exuvial forms (59 individuals of 13 species) suggests that the majority of the observed adults were developed in other watercourses. While recolonisation from nearby habitats is still possible, a parallel degradation of adjecent waterbodies could lead to an irreversible biodiversity loss.

The epikarsts of five covered karst areas in the Bakony region are compared. The comparison is based on the specific resistances of the bedrock resistance averages measured by vertical electrical sounding (VES). The average largest specific resistance differences (per area) and the mean values (per profile) were calculated to investigate the characteristics of the epikarst. The mean values of specific resistance were compared using analysis of variance (ANOVA) to determine whether the specific resistances of the areas showed significant differences. The studied karst areas can be categorised as high or low specific resistance areas, and the ANOVA method could be applied to three areas based on the available data. It can be concluded that the mean values of their specific resistances are significantly different. The mean values and standard deviation of the specific resistances of the different areas were analysed. It is described that the karst receives less water in the case of areas with lower specific resistance, while it receives more water in the case of areas with higher specific resistance. Areas with a high specific resistance are less karstified, while areas with a low specific resistance are more karstified. Low specific resistances and small mean values indicate a higher degree of cavity formation in the epikarst, while the decrease in mean values and standard deviation indicates increasing uniformity of the degree of cavity formation in the epikarst. The different degree of cavity formation is explained by the different karstification rates and the exposure of different time of certain areas.

Sturgeon species have inhabited the world’s seas and rivers for more than 200 million years and hold significant taxonomic significance, representing a strong conservation interest in aquatic biodiversity as well as in the economic sector, as their meat and eggs (caviar) are highly valuable goods. Currently, sturgeon products and byproducts can be legally obtained from aquaculture as a sustainable source. Intensive farming practices are accompanied by parasitic infestations, while several groups of parasites have a significant impact on both wild and farmed sturgeons. The present article is a review of common sturgeon parasites from the genus: Protozoa, Trematoda, Crustacea, Nematodes, Monogenea, Hirudinea, Copepoda, Acanthocephala, Cestoda, Polypodiozoa, and Hyperoartia, while also addressing their pathology and statistical distribution.

Abstract The evolution of mobile communications towards beyond 5th-generation (B5G) networks is envisaged to incorporate high levels of network automation. Network automation requires the development of a network architecture that accommodates multiple solutions based on artificial intelligence (AI) and machine learning (ML). Consequently, integrating AI into the 5th-generation (5G) systems such that we could leverage the advantages of ML techniques to optimize and improve the networks is one challenging topic for B5G networks. Based on a review of 5G system architecture, the state-of-the-art candidate AI/ML techniques, and the progress of the state of the art, and the on AI/ML for 5G in standards we define an AI architecture and performance evaluation framework for the deployment of the AI/ML solution in B5G networks. The suggested framework proposes three AI architectures alternatives, a centralized, a completely decentralized and an hybrid AI architecture. More specifically, the framework identifies the logical AI functions, determines their mapping to the B5G radio access network architecture and analyses the associated deployment cost factors in terms of compute, communicate and store costs. The framework is evaluated based on a use case scenario for heterogeneous networks where it is shown that the deployment cost profiling is different for the different AI architecture alternatives, and that this cost should be considered for the deployment and selection of the AI/ML solution.

Haze has become a seasonal phenomenon affecting Southeast Asia, including Malaysia, and has occurred almost every year within the last few decades. Air pollutants, specifically particulate matter, have drawn a lot of attention due to their adverse impact on human health. In this study, the spatial and temporal variability of the PM10 concentration at Kelang, Melaka, Pasir Gudang, and Petaling Jaya during historic haze events were analysed. An hourly dataset consisting of PM10, gaseous pollutants and weather parameters were obtained from Department of Environment Malaysia. The mean PM10 concentrations exceeded the stipulated Recommended Malaysia Ambient Air Quality Guideline for the yearly average of 150 μg/m3 except for Pasir Gudang in 1997 and 2005, and Petaling Jaya in 2013. The PM10 concentrations exhibit greater variability in the southwest monsoon and inter-monsoon periods at the studied year. The air masses are found to be originating from the region of Sumatra during the haze episodes. Strong to moderate correlation of PM10 concentrations was found between CO during the years that recorded episodic haze, meanwhile, the relationship of PM10 level with SO2 was found to be significant in 2013 with significant negatively correlated relative humidity. Weak correlation of PM10-NOx was measured in all study areas probably due to less contribution of domestic anthropogenic sources towards haze events in Malaysia.

Over 300 million people who live with color vision deficiency (CVD) have a decreased ability to distinguish between colors, limiting their ability to interact with websites and software packages. User-interface designers have taken various approaches to tackle the issue, with most offering a high-contrast mode. The Web Content Accessibility Guidelines (WCAG) outline some best practices for maintaining accessibility that have been adopted and recommended by several governments; however, it is currently uncertain how this impacts perceived user functionality and if this could result in a reduced aesthetic look. In the absence of subjective data, we aim to investigate how a CVD observer might rate the functionality and aesthetics of existing UIs. However, the design of a comparative study of CVD vs. non-CVD populations is inherently hard; therefore, we build on the successful field of physiologically based CVD models and propose a novel simulation-based experimental protocol, where non-CVD observers rate the relative aesthetics and functionality of screenshots of 20 popular websites as seen in full color vs. with simulated CVD. Our results show that relative aesthetics and functionality correlate positively and that an operating-system-wide high-contrast mode can reduce both aesthetics and functionality. While our results are only valid in the context of simulated CVD screenshots, the approach has the benefit of being easily deployable, and can help to spot a number of common pitfalls in production. Finally, we propose a AAA–A classification of the interfaces we analyzed.

Bisphenol A and its analogues represent a significant environmental and public health hazard, particularly affecting the endocrine systems of children and newborns. Due to the growing need for non-pathogenic biodegradation microbial agents as environmentally friendly and cost-effective solutions to eliminate endocrine disruptors, this study aimed to investigate the degradation of bisphenol A by Ideonella sakaiensis, based on its currently understood unique enzymatic machinery that is already well known for degrading polyethylene terephthalate. The present study provides novel insights into the metabolic competence and growth particularities of I. sakaiensis. The growth of I. sakaiensis exposed to bisphenol A exceeded that in the control conditions, starting with 72 h in a 70% nutrient-rich medium and starting with 48 h in a 100% nutrient-rich medium. Computational modeling showed that bisphenol A, as well as its analogue bisphenol S, are possible substrates of PETase and MHETase. The use of bisphenol A as a carbon and energy source through a pure I. sakaiensis culture expands the known substrate spectra and the species’ potential as a new candidate for bisphenol A bioremediation processes.

The COVID-19 pandemic has created significant challenges for UK schools, but a time of cancelled exams and uncertainty around future examinations can provide opportunities to explore novel assessment methods. Hence, the 2020 proposal of the Ofqual algorithm which combines teachers' estimated grades and schools' historical performance seemed timely. However, the algorithmically calculated grades resulted in a public backlash and withdrawal of the proposal. While the failed Ofqual algorithm could be considered an example of AI, we do not yet have a thorough understanding of its numerical accuracy and how it performs in comparison to other AI models. This paper investigates this novel application: the potential use of a range of AI models as assessment tools in a selective, independent, secondary school in England. The following questions were examined: (1) how accurate are modern AI models in predicting GCSE exam grades? (2) what are the differences in model accuracy across subjects and can these be explained by qualitative differences in teachers' grading practices? Results indicate that while models yield acceptable mean absolute errors, individual mispredictions can be larger than desired. Subject differences highlighted that grading subjectivity is less significant in science, technology, engineering, and maths (STEM) subjects, which could explain why objective models fail to predict non-STEM grades more frequently. In summary, numerical results indicate that grade prediction could be an interesting novel application of AI, but more research is needed to reduce outliers.

Veterinary antibiotics have become a major concern due to potential environmental effects. This study presents an investigation of the exposure and environmental effects of the veterinary medicinal product in powder form, administered in the drinking water of piglets, chickens and turkeys, containing 250 mg/g penicillin G (benzylpenicillin potassium), performed according to the European Medicines Agency (EMEA) guideline and the results obtained by an analytical method based on online solid-phase extraction, ultra-high performance liquid chromatography coupled to a triple quadrupole mass spectrometer (SPE-online-UHPLC-MS/MS). The study presents the determination of the environmental risk and through an original, interactive, fast software method, created on the basis of a proprietary calculation algorithm that goes through all the prescriptions and recommendations of the EMEA guide. The results demonstrated that the concentration value for penicillin G determined in surface water by SPE-online-UHPLC-MS/MS is much lower than that predicted by calculation (predictable concentration in surface water, PECsurface water = 37.66 µg/L and the concentration SPE-online-UHPLC-MS/MS = 0.032 µg/L). Both results lead to a sub-unit risk quotient (R) indicating that the treatment carried out with the considered veterinary product does not present any risk to the environment.

The most recent assessment (2008) of the IUCN Red List of Threatened Species classified Romanichthys valsanicola as critically endangered (CR). In December 2022, an expert team from the National Institute for Research and Development in Environmental Protection Bucharest investigated the presence of the species in historical locations and in other potential sites. The authors correlated public data to the actual habitat area to calculate the potential species density in relation to the specific territorial behavior. The ecological carrying capacity was represented by the consensus between the behavioral density limitations and the trophic limitations of the actual species potential habitat. Both trophic availability and populational density present encouragingly high values for the sculpin perch in the Valsan River, indicating that the natural habitat could host a considerably higher number of individuals.

Encouraged by the significant cytotoxic activity of simple α-aminophosphonates, a molecular library comprising phosphonoylmethyl- and phosphinoylmethyl-α-aminophosphonates, a tris derivative, and N-acylated species was established. The promising aminophosphonate derivatives were subjected to a comparative structure–activity analysis. We evaluated 12 new aminophosphonate derivatives on tumor cell cultures of different tissue origins (skin, lung, breast, and prostate). Several derivatives showed pronounced, even selective cytostatic effects. According to IC50 values, phosphinoylmethyl-aminophosphonate derivative 2e elicited a significant cytostatic effect on breast adenocarcinoma cells, but it was even more effective against prostatic carcinoma cells. Based on our data, these new compounds exhibited promising antitumor activity on different tumor types, and they might represent a new group of alternative chemotherapeutic agents.

This study presents the assessment of the PM10 emissions in areas from the south of Bucharest and Ilfov county, for a period of 11 years, during 2008-2018, taking into consideration the most important meteorological parameters with influence to air pollution, such as relative humidity, temperature, wind direction, and wind speed. During the study period, the mean annual concentrations of PM10 decreased from 43.92 μg/m3 to 29.67 μg/m3, expressed as a percentage change the decrease was 35.45% and 29.03% at the B-4 and B-7 stations, respectively. The Pearson correlation coefficient was significantly higher in the cold season (November-April). In order to further investigate the relations of air quality and wind direction pollution roses were calculated and the results indicate that the highest concentrations of PM10 occur in B-4 and B-7 at the southwestern and west direction of wind.

In preparation for the Fourth Industrial Revolution (IR 4.0) in Malaysia, the government envisions a path to environmental sustainability and an improvement in air quality. Air quality measurements were initiated in different backgrounds including urban, suburban, industrial and rural to detect any significant changes in air quality parameters. Due to the dynamic nature of the weather, geographical location and anthropogenic sources, many uncertainties must be considered when dealing with air pollution data. In recent years, the Bayesian approach to fitting statistical models has gained more popularity due to its alternative modelling strategy that accounted for uncertainties for all air quality parameters. Therefore, this study aims to evaluate the performance of Bayesian Model Averaging (BMA) in predicting the next-day PM10 concentration in Peninsular Malaysia. A case study utilized seventeen years’ worth of air quality monitoring data from nine (9) monitoring stations located in Peninsular Malaysia, using eight air quality parameters, i.e., PM10, NO2, SO2, CO, O3, temperature, relative humidity and wind speed. The performances of the next-day PM10 prediction were calculated using five models’ performance evaluators, namely Coefficient of Determination (R2), Index of Agreement (IA), Kling-Gupta efficiency (KGE), Mean Absolute Error (MAE), Root Mean Squared Error (RMSE) and Mean Absolute Percentage Error (MAPE). The BMA models indicate that relative humidity, wind speed and PM10 contributed the most to the prediction model for the majority of stations with (R2 = 0.752 at Pasir Gudang monitoring station), (R2 = 0.749 at Larkin monitoring station), (R2 = 0.703 at Kota Bharu monitoring station), (R2 = 0.696 at Kangar monitoring station) and (R2 = 0.692 at Jerantut monitoring station), respectively. Furthermore, the BMA models demonstrated a good prediction model performance, with IA ranging from 0.84 to 0.91, R2 ranging from 0.64 to 0.75 and KGE ranging from 0.61 to 0.74 for all monitoring stations. According to the results of the investigation, BMA should be utilised in research and forecasting operations pertaining to environmental issues such as air pollution. From this study, BMA is recommended as one of the prediction tools for forecasting air pollution concentration, especially particulate matter level.

Malaysia has been facing transboundary haze events repeatedly, in which the air contains extremely high particulate matter, particularly PM10, which affects human health and the environment. Therefore, it is crucial to understand the characteristics of PM10 concentration and develop a reliable PM10 forecasting model for early information and warning alerts to the responsible parties in order for them to mitigate and plan precautionary measures during such events. This study aims to analyze PM10 variation and investigate the performance of quantile regression in predicting the next-day, the next two days, and the next three days of PM10 levels during a high particulate event. Hourly secondary data of trace gases and the weather parameters at Pasir Gudang, Melaka, and Petaling Jaya during historical haze events in 1997, 2005, 2013, and 2015. The Pearson correlation was calculated to find the correlation between PM10 level and other parameters. Moderate correlated parameters (r > 0.3) with PM10 concentration were used to develop a Pearson–QR model with percentiles of 0.25, 0.50, and 0.75 and were compared using quantile regression (QR) and multiple linear regression (MLR). Several performance indicators, namely mean absolute error (MAE), root mean squared error (RMSE), coefficient of determination (R2), and index of agreement (IA), were calculated to evaluate and compare the performances of the predictive model. The highest daily average of PM10 concentration was monitored in Melaka within the range of 69.7 and 83.3 µg/m3. CO and temperature were the most significant parameters associated with PM10 level during haze conditions. Quantile regression at p = 0.75 shows high efficiency in predicting PM10 level during haze events, especially for the short-term prediction in Melaka and Petaling Jaya, with an R2 value of >0.85. Thus, the QR model has high potential to be developed as an effective method for forecasting air pollutant levels, especially during unusual atmospheric conditions when the overall mean of the air pollutant level is not suitable for use as a model.

Ecosystem respiration (Reco) is the main contributor to carbon emissions from different types of aquatic ecosystems. For a better understanding of CO2 emissions from the water-atmosphere interface of rivers and to evaluate the influence of meteorological factors and water quality parameters on Reco, in-situ measurements were carried out in Damboviţa River in the winter season when temperatures were up to freezing point as well as in the summer period, which is the most dynamic in terms of CO2 exchange. Reco during the monitoring period ranged from 4.56 to 40.5 gm-2h-1. The statistical analysis of the data set showed that among the meteorological parameters, temperatures explain most temporal variability of CO2 fluxes. By scaling the importance of the water quality parameters, the precision of the permutations indicated the pH as the most influential parameter in the analysis of the dependent factors. The analysed data indicates that aquatic ecosystems are highly sensitive to changes in the current context of climate change, which implies that these ecosystems can easily turn into important sources of carbon in the atmosphere.

There are hundreds of morphologic and morphometric traits available to classify and identify grapevine (Vitis vinifera L.) genotypes, while statistical evaluation of those has certain limitations, especially when we have no information about the traits that are discriminative to a certain sample set. High numbers of investigated characters could cause redundancy, while reducing those numbers may result in data loss. Grapevine is one of the most important horticultural crops, with many cultivars in production. The characterization of the genotypes is of undeniably high importance. In this study, we analyzed a dataset of scientific and historical importance with 125 morphological traits of 97 grapevine cultivars described by Németh in 1966. However, the traits are not independent in a set of a large number of categorical traits with too few cultivars. Therefore, the number of traits was first reduced using a simple and effective algorithm to eliminate traits with redundant information content using the asymmetric measure of association Goodman and Kruskal’s λ. We reduced the number of traits from 125 to 59 without any information loss. For the classification, we applied a random forest (RF) method. In this way, 93% of the cultivars were correctly classified using only four traits of the data set. To our knowledge, only a few studies applied a trait elimination algorithm similar to ours in ampelography that can be used for other biological data sets of similar structure. The classification results give a morphological explanation to several cultivars from the Carpathian Basin, a territory where all three Vitis vinifera L. geographical groups, occidentalis, orientalis and pontica, are represented. We found that the information-loss-avoiding data reduction method we applied in our study solved the redundancy-caused interdependencies and provided a suitable dataset for classifying grapevine genotypes. For example, this method may successfully be applied in digital image analysis-based traditional morphometric investigations in ampelography.

Sexual size dimorphism is widespread among snakes and has also been observed in lengths of body appendages such as in tails. Males typically possess longer tails than females and this dimorphism in tail length has generally been attributed to the importance of the tail in mating and reproduction. We used body size measurements, snout-vent length (SVL) and tail length (TL) as well as a body condition index (BCI) as a measure of quality in Caspian Whip Snakes from Hungary, in order to shed light on sexual dimorphism patterns. The SVL of males (1061 ± 133 mm, n = 25) were significantly longer than that of females (887 ± 208 mm, n = 41). However, the proportion of TL to total length was lower in males than in females (0.257 ± 0.018 and 0.274 ± 0.017, respectively). The BCI of females (386 ± 10) was significantly higher than that of males (343 ± 15). Females having proportionally longer tails compared to males seems to be the reverse of the usual trend. Selective pressures on the tails of female snakes are less obvious, as tail length may be linked to more than one function, and hence be simultaneously subjected to more than one type of selective force.

In this article, the performance of brass electrode was investigated in a Zn-air (charcoal-based cathode) rechargeable battery. The construction of the battery was carried out with biodegradable materials, namely a cotton cloth diaphragm and carboxymethyl cellulose sodium salt (CMC-Na) viscosity modifier, while the battery skeleton was printed by 3D printing technology. The brass acted as a collector and a preferable surface for the metallic Zn deposition on the brass anode surface. The electrochemical behavior of the brass anode was investigated by cyclic voltammetry (CV). Cyclic performance tests were carried out, which showed stable cell operation even in the presence or absence of additives up to more than 100 cycles. Furthermore, high energy (Eeff) and Coulomb (Ceff) efficiencies, 80% (Eeff), 95% (Ceff), 75% (Eeff), and 95% (Ceff) were obtained, respectively. The Shepherd model was applied to describe the discharging processes of the Zn-air battery containing brass as anode in the presence of additive-free electrolyte or electrolyte with CMC-Na salt additive. It was found that the Shepherd equation described only approximately the resulting discharge curves. In order to attain a more precise mathematical description, stretched exponential function was implemented into the last term of the Shepherd equation. The need for such a correction shows the complexity of the electrochemical processes occurring in these systems. In addition, the surface of the brass anode was also investigated by scanning electron microscopy (SEM) and the composition of the brass alloys was determined by X-ray fluorescence spectroscopy (XRF). Importantly, the formation of dendritic deposition was successfully suppressed and a smooth and uniform surface was obtained after the cycling tests.

The mechanical and rheological characterizations of flexible investment casting patterns capable of 3D printing are reported. The wax pattern was composed of microcrystalline hydrocarbon wax (DMW7478), Piccotex 75 (a copolymer of α–methyl–styrene and vinyl toluene with a 75/25 molar ratio, respectively) and Escorene (a copolymer of ethylene and vinyl acetate with a 72/28 mass ratio, respectively). It was found that in order to obtain a wax pattern with appreciable mechanical properties, the content of the microcrystalline hydrocarbon wax in these blends should not exceed 30% (m/m). Thus, a series of patterns with 28% (m/m) wax and varying Piccotex and Escorene contents spanning from 0 to 72% (m/m) was prepared. The dependence of the dynamic viscosities of the wax patterns on the composition was described using a stretched exponential model, whereas their variations with the temperature were interpreted in terms of the Arrhenius–Guzman equation. Furthermore, the slopes of the lines fitted to the viscosity versus temperature curves at the pour point decreased linearly with the Piccotex content. Non-Newtonian changes in the shear stress with the shear rate and shear stress crystallization were observed at temperatures near the pour points. The mechanical properties were evaluated using the uniaxial tensile mode and by three-point bending experiments. It was found that the stress (σ) versus the relative elongation (ε) curves can effectively be rendered by means of the standard linear solid (SLS) viscoelastic model. In addition, it was also established that the Young’s modulus varied according to a sigmoid-type curve with the piccotex content, while the yield stress decreased linearly with the concentration of Piccotex. In addition, based on the spooling suitability and printability, the patterns were rated and it was found that the most appropriate wax pattern compositions for 3D printing were those which contained 30% (m/m) and 35% (m/m) Piccotex.

Ground-level ozone (O3) is a significant source of air pollution, mainly in most urban areas across the globe. Ground-level O3 is not emitted directly into the atmosphere. It results from photo-chemical reactions between precursors and is influenced by weather factors such as temperature. This study investigated the spatial and temporal analysis of ground-level ozone and analyzed the significant anthropogenic precursors and the weather parameters associated with ground-level ozone during daytime and nighttime at three cities in peninsular Malaysia, namely, Kuala Terengganu, Perai, and Seremban from 2016 to 2020. Secondary data were acquired from the Department of Environment (DOE), Malaysia, including hourly data of O3 with trace gases and weather parameters. The secondary data were analyzed using temporal analysis such as descriptive statistics, box plot, and diurnal plot as well as spatial analysis such as contour plot and wind rose diagram. Spearman correlation was used to identify the association of O3 with its precursors and weather parameters. The results show that a higher concentration of O3 during the weekend due to “ozone weekend effects” was pronounced, however, a slightly significant effect was observed in Perai. The two monsoonal seasons in Malaysia had a minimal effect on the study areas except for Kuala Terengganu due to the geographical location. The diurnal pattern of O3 concentration indicates bimodal peaks of O3 precursors during the peak traffic hours in the morning and evening with the highest intensity of O3 precursors detected in Perai. Spearman correlation analysis determined that the variations in O3 concentrations during day and nighttime generally coincide with the influence of nitrogen oxides (NO) and temperature. Lower NO concentration will increase the amount of O3 concentration and an increasing amount of O3 concentration is influenced by the higher temperature of its surroundings. Two predictive models, i.e., linear (multiple linear regression) and nonlinear models (artificial neural network) were developed and evaluated to predict the next day and nighttime O3 levels. ANN resulted in better prediction for all areas with better prediction identified for daytime O3 levels.

Alzheimer’s disease (AD) is a complex and widespread condition, still not fully understood and with no cure yet. Amyloid beta (Aβ) peptide is suspected to be a major cause of AD, and therefore, simultaneously blocking its formation and aggregation by inhibition of the enzymes BACE-1 (β-secretase) and AChE (acetylcholinesterase) by a single inhibitor may be an effective therapeutic approach, as compared to blocking one of these targets or by combining two drugs, one for each of these targets. We used our ISE algorithm to model each of the AChE peripheral site inhibitors and BACE-1 inhibitors, on the basis of published data, and constructed classification models for each. Subsequently, we screened large molecular databases with both models. Top scored molecules were docked into AChE and BACE-1 crystal structures, and 36 Molecules with the best weighted scores (based on ISE indexes and docking results) were sent for inhibition studies on the two enzymes. Two of them inhibited both AChE (IC50 between 4–7 μM) and BACE-1 (IC50 between 50–65 μM). Two additional molecules inhibited only AChE, and another two molecules inhibited only BACE-1. Preliminary testing of inhibition by F681-0222 (molecule 2) on APPswe/PS1dE9 transgenic mice shows a reduction in brain tissue of soluble Aβ42.

Cloud storage applications, such as Dropbox and Google Drive, have recently become very popular among mobile users. In these applications, a cloud server is responsible for synchronizing updates to files among mobile users, and thus if files are shared by many mobile users and are frequently updated then the resulting synchronization traffic can be significant. In order to reduce the synchronization traffic with providing acceptable access latency, we propose a fog-assisted aggregated synchronization (FAS) scheme in which the fog computing server and the cloud server conduct localized and aggregated synchronizations, respectively. We develop an analytical model of the FAS scheme based on renewal-reward theory and use it for model-based adjustment of the timer that controls the trade-off between access latency and synchronization traffic. We use analytical and simulation results to give insight into the effects of the timer, the update-to-access ratio, the number of mobile users, and the sensitivity to the arrival process. The analytical and simulation results demonstrate that the FAS scheme can reduce the synchronization traffic significantly with acceptable access latency compared to conventional schemes.

In order to ensure a sustainable development, it was necessary to develop technologies for capturing, storing and transforming the energy produced by renewable sources into electricity. In this sense, they have been designed and put into operation a number of facilities for obtaining green energy. Even if, over time these have been optimized to increase the efficiency of electricity production, they had disadvantages in terms of environmental impact. Besides being occupied by large areas of land or represented high accident risks, conventional facilities for generating electricity from renewable energy sources had high costs of production, transport, installation and maintenance. Following the advanced research in the field of energy and environmental protection, a vertically-developed complex installation has been developed, at the laboratory level, that captures and transforms solar radiation, wind power and wave energy into electricity. This has been adapted for coastal areas and it can be the source of electricity in disadvantaged areas. Exploitation of the complex system is continuous, with high efficiency, regardless the weather conditions. At the same time, the vertical development of the complex involves the setting up of some small areas, with an insignificant impact on the aquatic environment.

Atomic layer deposition (ALD) on polymer substrates often requires a modification of the polymer surface properties. Plasma-enhanced ALD (PE-ALD) process is capable of establishing improved coating/substrate adhesion and layer properties by a plasma pre-treatment prior to the layer deposition. Low density polyethylene (LDPE) films were plasma treated using different gases (N2, O2, and N2+O2 mixture) for various exposure times. A novel method was proposed to reveal the chemical changes in the surface region of LDPE films with attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectroscopy combined with multivariate analysis. The loading plots of principal component analysis (PCA) revealed the formation of polar functional groups on the surface of LDPE films, as a result of plasma pre-treatment. PCA was also able to explore the differences and similarities in the chemical modifications of LDPE originated from different plasma gas and exposure time.

Animals can suffer injuries due to diseases, intraspecific aggression and, most of all, predation events. We present field data to provide numerical information about the injuries found in the largest Caspian Whip Snake (Dolichophis caspius) population in Hungary, near the northernmost portion of the species’ distribution range.

Rapid in silico selection of target focused libraries from commercial repositories is an attractive and cost-effective approach in early drug discovery. If structures of active compounds are available, rapid 2D similarity search can be performed on multimillion compounds’ databases. This approach can be combined with physico-chemical parameter and diversity filtering, bioisosteric replacements, and fragment-based approaches for performing a first round biological screening. Our objectives were to investigate the combination of 2D similarity search with various 3D ligand and structure-based methods for hit expansion and validation, in order to increase the hit rate and novelty. In the present account, six case studies are described and the efficiency of mixing is evaluated. While sequentially combined 2D/3D similarity approach increases the hit rate significantly, sequential combination of 2D similarity with pharmacophore model or 3D docking enriched the resulting focused library with novel chemotypes. Parallel integrated approaches allowed the comparison of the various 2D and 3D methods and revealed that 2D similarity-based and 3D ligand and structure-based techniques are often complementary, and their combinations represent a powerful synergy. Finally, the lessons we learnt including the advantages and pitfalls of the described approaches are discussed.

In our work, we sought to answer whether we find differences among the various zones of an oxbow lake with different land uses based on physico-chemical variables and dominant algal plankton species. The two ends of the oxbow lake are bordered by settlements, and near them there are open water areas where fishing is the major utilization form. Between the two open water areas we find a protected area with a large aquatic plant coverage and two transition zones towards the open water areas. The oxbow lake receives periodic water replenishment only at one end from one of the open water areas. During summer—due to the lack of rain—the water of the oxbow lake is used for irrigation in the surrounding arable land, so the water level fluctuation can be significant in the riverbed. Our study was performed within a vegetation period of spring, early summer, mid-summer, and fall. In connection with the ecological classification of a smaller water body, studies on the physical and chemical properties of the water and the composition of the algal plankton are usually carried out in few places and relatively infrequently. The characteristics of a water body are also influenced by seasonal changes, which can be the changes in the extent of vegetation coverage, the way land is used and the possibility of water replenishment, to which the algal community usually responds with changes. Based on our study, it can be said that even in a relatively small water body, we found a large differences based on the chemical and physical properties of the water and the characteristic algal species. Open water zones, areas with large macrovegetation coverage, and the transition zones were separated from each other.

In this paper, we investigate partitions of highly symmetrical discrete structures called cycloids. In general, a mixed hypergraph has two types of hyperedges. The vertices are colored in such a way that each C-edge has two vertices of the same color, and each D-edge has two vertices of distinct colors. In our case, a mixed cycloid is a mixed hypergraph whose vertices can be arranged in a cyclic order, and every consecutive p vertices form a C-edge, and every consecutive q vertices form a D-edge in the ordering. We completely determine the maximum number of colors that can be used for any p≥3 and any q≥2. We also develop an algorithm that generates a coloring with any number of colors between the minimum and maximum. Finally, we discuss the colorings of mixed cycloids when the maximum number of colors coincides with its upper bound, which is the largest cardinality of a set of vertices containing no C-edge.

Bin Packing is one of the research areas of Operations Research with many industrial applications, as well as rich theoretical impact. In this article, the authors deal with Bin Packing on the practical side: they consider two Bin Packing Benchmark classes. These benchmark problems are often used to check the “usefulness”, efficiency of algorithms. The problem is well-known to be NP-hard. Instead of introducing some exact, heuristic, or approximation method (as usual), the problem is attacked here with some kind of greedy algorithm. These algorithms are very fast; on the other hand, they are not always able to provide optimal solutions. Nevertheless, they can be considered as pre-processing algorithms for solving the problem. It is shown that almost all problems in the considered two benchmark classes are, in fact, easy to solve. In case of the Schwerin class, where there are 200 instances, it is obtained that all instances are solved by the greedy algorithm, optimally, in a very short time. The Falkenauer U class is a little bit harder, but, here, still more than 91% of the instances are solved optimally very fast, with the help of another greedy algorithm. Based on the above facts, the main contribution of the paper is to show that pre-processing is very useful for solving such kinds of problems.

Background: We recently developed novel matrix metalloproteinase-2 (MMP-2) inhibitor small molecules for cardioprotection against ischemia/reperfusion injury and validated their efficacy in ischemia/reperfusion injury in cardiac myocytes. The aim of the present study was to test our lead compounds for cardioprotection in vivo in a rat model of acute myocardial infarction (AMI) in the presence or absence of hypercholesterolemia, one of the major comorbidities affecting cardioprotection. Methods: Normocholesterolemic adult male Wistar rats were subjected to 30 min of coronary occlusion followed by 120 min of reperfusion to induce AMI. MMP inhibitors (MMPI)-1154 and -1260 at 0.3, 1, and 3 µmol/kg, MMPI-1248 at 1, 3, and 10 µmol/kg were administered at the 25th min of ischemia intravenously. In separate groups, hypercholesterolemia was induced by a 12-week diet (2% cholesterol, 0.25% cholic acid), then the rats were subjected to the same AMI protocol and single doses of the MMPIs that showed the most efficacy in normocholesterolemic animals were tested in the hypercholesterolemic animals. Infarct size/area at risk was assessed at the end of reperfusion in all groups by standard Evans blue and 2,3,5-triphenyltetrazolium chloride (TTC) staining, and myocardial microvascular obstruction (MVO) was determined by thioflavine-S staining. Results: MMPI-1154 at 1 µmol/kg, MMPI-1260 at 3 µmol/kg and ischemic preconditioning (IPC) as the positive control reduced infarct size significantly; however, this effect was not seen in hypercholesterolemic animals. MVO in hypercholesterolemic animals decreased by IPC only. Conclusions: This is the first demonstration that MMPI-1154 and MMPI-1260 showed a dose-dependent infarct size reduction in an in vivo rat AMI model; however, single doses that showed the most efficacy in normocholesterolemic animals were abolished by hypercholesterolemia. The further development of these promising cardioprotective MMPIs should be continued with different dose ranges in the study of hypercholesterolemia and other comorbidities.

The objective of our present study is to develop novel inhibitors for MMP-2 for acute cardioprotection. In a series of pilot studies, novel substituted carboxylic acid derivatives were synthesized based on imidazole and thiazole scaffolds and then tested in a screeening cascade for MMP inhibition. We found that the MMP-inhibiting effects of imidazole and thiazole carboxylic acid-based compounds are superior in efficacy in comparison to the conventional hydroxamic acid derivatives of the same molecules. Based on these results, a 568-membered focused library of imidazole and thiazole compounds was generated in silico and then the library members were docked to the 3D model of MMP-2 followed by an in vitro medium throughput screening (MTS) based on a fluorescent assay employing MMP-2 catalytic domain. Altogether 45 compounds showed a docking score of >70, from which 30 compounds were successfully synthesized. Based on the MMP-2 inhibitory tests using gelatin zymography, 7 compounds were then selected and tested in neonatal rat cardiac myocytes subjected to simulated I/R injury. Six compounds showed significant cardio-cytoprotecion and the most effective compound (MMPI-1154) significantly decreased infarct size when applied at 1 μM in an ex vivo model for acute myocardial infarction. This is the first demonstration that imidazole and thiazole carboxylic acid-based compounds are more efficacious MMP-2 inhibitor than their hydroxamic acid derivatives. MMPI-1154 is a promising novel cardio-cytoprotective imidazole-carboxylic acid MMP-2 inhibitor lead candidate for the treatment of acute myocardial infarction.

After a long and brave battle with a serious illness, our dear friend and colleague Slavik Jablan passed away on 26 February 2015. [...]

Bipolaris oryzae is a phytopathogenic fungus causing a brown spot disease in rice, and produces substance that strongly perturbs motility and membrane integrities of boar spermatozoa. The substance was isolated from the liquid culture of the fungal strain using extraction and a multi-step semi-preparative HPLC procedures. Based on the results of mass spectrometric and 2D NMR techniques, the bioactive molecule was identified as ophiobolin A, a previously described sesterterpene-type compound. The purified ophiobolin A exhibited strong motility inhibition and viability reduction on boar spermatozoa. Furthermore, it damaged the sperm mitochondria significantly at sublethal concentration by the dissipation of transmembrane potential in the mitochondrial inner membrane, while the plasma membrane permeability barrier remained intact. The study demonstrated that the cytotoxicity of ophiobolin A toward somatic cell lines is higher by 1–2 orders of magnitude compared to other mitochondriotoxic mycotoxins, and towards sperm cells unique by replacing the progressive motility by shivering tail beating at low exposure concentration.

Rapid in silico selection of target focused libraries from commercial repositories is an attractive and cost effective approach. If structures of active compounds are available rapid 2D similarity search can be performed on multimillion compound databases but the generated library requires further focusing by various 2D/3D chemoinformatics tools. We report here a combination of the 2D approach with a ligand-based 3D method (Screen3D) which applies flexible matching to align reference and target compounds in a dynamic manner and thus to assess their structural and conformational similarity. In the first case study we compared the 2D and 3D similarity scores on an existing dataset derived from the biological evaluation of a PDE5 focused library. Based on the obtained similarity metrices a fusion score was proposed. The fusion score was applied to refine the 2D similarity search in a second case study where we aimed at selecting and evaluating a PDE4B focused library. The application of this fused 2D/3D similarity measure led to an increase of the hit rate from 8.5% (1st round, 47% inhibition at 10 µM) to 28.5% (2nd round at 50% inhibition at 10 µM) and the best two hits had 53 nM inhibitory activities.

The complement system is associated with various diseases such as inflammation or auto-immune diseases. Complement-targeted drugs could provide novel therapeutic intervention against the above diseases. C1s, a serine protease, plays an important role in the CS and could be an attractive target since it blocks the system at an early stage of the complement cascade. Designing C1 inhibitors is particularly challenging since known inhibitors are restricted to a narrow bioactive chemical space in addition selectivity over other serine proteases is an important requirement. The typical architecture of a small molecule inhibitor of C1s contains an amidine (or guanidine) residue, however, the discovery of non-amidine inhibitors might have high value, particularly if novel chemotypes and/or compounds displaying improved selectivity are identified. We applied various virtual screening approaches to identify C1s focused libraries that lack the amidine/guanidine functionalities, then the in silico generated libraries were evaluated by in vitro biological assays. While 3D structure-based methods were not suitable for virtual screening of C1s inhibitors, and a 2D similarity search did not lead to novel chemotypes, pharmacophore model generation allowed us to identify two novel chemotypes with submicromolar activities. In three screening rounds we tested altogether 89 compounds and identified 20 hit compounds (d][1,3]oxazin-4-one) it was 241 nM and 549 nM, respectively.

We tested the usefulness of exuviae as an environmentally friendly method for exploring the variability of the trace element contents of protected insect populations without killing specimens. It is a notable characteristic of dragonflies that they are good ecological indicators for both aquatic and terrestrial habitat quality. Thus, we investigated the trace element accumulation in different stages of dragonflies: larva, exuvia, and adult. Using microwave plasma atomic emission spectrometry (MP-AES), we analysed the concentrations of Al, Ba, Cr, Cu, Fe, Mn, Pb, Sr and Zn. We found that the trace element contents of exuviae are a good proxy of the trace element contents of both the larvae and the adults. We conclude that exuvia is useful for assessing the environmental health of aquatic ecosystems. It is an environmentally friendly method and it can be used even in the case of protected dragonfly species.

During our work, we investigated the physical and chemical variables of a small surface watercourse to investigate how different anthropogenic effects affect its water quality. Along this small watercourse, there are well-separated areas that are affected by various anthropogenic effects. In addition to its origin and branches, in many places it is surrounded by agricultural land with insufficient buffer zones, which burdens the small watercourse with nitrogen and phosphorus forms. In the lower stages, artificial damming inhibits the natural flow of the Tócó Canal, thereby creating eutrophicated stagnant water areas. This is further strengthened by, in many cases, illegal communal and used water intake that further burdens the small watercourse. Considering the experience of our investigation, it can be stated that the examined small watercourse could barely suffer human impacts, and it could be described with great heterogeneity using physical and chemical variables. We experienced that this heterogeneity caused by anthropogenic effects appeared in all hydrologic states and seasons. Furthermore, our research showed that these small watercourses had such high heterogeneity that their monitoring and examination should be taken just as seriously as when it comes to larger watercourses.

In this paper the preparation and detailed characterization of designed polyurethanes (SPURs) are reported for potential biological, biomedical and/or pharmaceutical applications. Importantly, in order to fulfill these goals all reactants and solvents used were selected according to the proposal of EUR-8 Pharmacopoeia. For the synthesis, a novel strategy was introduced and elaborated. A series of SPUR samples was prepared from poly(ε-caprolactone)-diol, 1,6-hexamethylene diisocyanate and sucrose as a chain extender/crosslinking agent to obtain sucrose containing polyurethanes. In addition, the mol ratios of the sucrose were varied within an order of magnitude. The prepolymers and the products of the syntheses were investigated by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) and infrared spectroscopy (IR), respectively. It was found that the reactivity of the eight free hydroxyl groups of sucrose are different, and after curing the SPUR samples at 60 °C no free isocyanate groups can be observed. Furthermore, swelling experiments performed with various solvents of different polarities revealed that the highest degree of swelling took place in dimethyl-sulfoxide. However, low degrees of swelling were recognized in water and hexane. It is important to note that the gel contents were around 90% in all cases, which demonstrate that the crosslinking was almost complete. In addition, the kinetics of swelling were also evaluated and successfully modeled. The crosslink densities were calculated from the data of the swelling experiments by means of the Flory-Rehner equation. Unexpectedly, it was found that the crosslink density decreased with the increasing sucrose content also in line with the results obtained by relaxation modulus experiments and dynamic mechanical analysis (DMA). The Tg and Tm of SPUR samples, determined from DSC and DMA measurements, were around −57 °C and 27 °C, respectively. According to the mechanical tests the SPUR samples showed high elongation at break values, i.e., high flexibilities. Furthermore, the stress-strain curves were also modeled and discussed.