Network Models of BACE-1 Inhibitors: Exploring Structural and Biochemical Relationships.

This study investigates the clustering patterns of human ß-secretase 1 (BACE-1) inhibitors using complex network methodologies based on various distance functions, including Euclidean, Tanimoto, Hamming, and Levenshtein distances. Molecular descriptor vectors such as molecular mass, Merck Molecular Force Field (MMFF) energy, Crippen partition coefficient (ClogP), Crippen molar refractivity (MR), eccentricity, Kappa indices, Synthetic Accessibility Score, Topological Polar Surface Area (TPSA), and 2D/3D autocorrelation entropies are employed to capture the diverse properties of these inhibitors. The Euclidean distance network demonstrates the most reliable clustering results, with strong agreement metrics and minimal information loss, indicating its robustness in capturing essential structural and physicochemical properties. Tanimoto and Hamming distance networks yield valuable clustering outcomes, albeit with moderate performance, while the Levenshtein distance network shows significant discrepancies. The analysis of eigenvector centrality across different networks identifies key inhibitors acting as hubs, which are likely critical in biochemical pathways. Community detection results highlight distinct clustering patterns, with well-defined communities providing insights into the functional and structural groupings of BACE-1 inhibitors. The study also conducts non-parametric tests, revealing significant differences in molecular descriptors, validating the clustering methodology. Despite its limitations, including reliance on specific descriptors and computational complexity, this study offers a comprehensive framework for understanding molecular interactions and guiding therapeutic interventions. Future research could integrate additional descriptors, advanced machine learning techniques, and dynamic network analysis to enhance clustering accuracy and applicability.

Anthropogenic Sewage Water Circuit as Vector for SARS-CoV-2 Viral ARN Transport and Public Health Assessment, Monitoring and Forecasting-Sibiu Metropolitan Area (Transylvania/Romania) Study Case.

Water is a risk factor for epidemics of waterborne diseases with effects on human health. In 2019, new viral pneumonia cases occurred in China and spread worldwide. The aim of this study was to assess the feasibility and accuracy of a wastewater-based epidemiological (WBE) monitoring tool in a SARS-CoV-2 hot spot (Sibiu City metropolitan area), namely to highlight the correlation between the number of infections on the days of sampling and the amount of viral RNA detected in wastewater. Wastewater samples were collected once a week, and viral RNA was extracted and quantified. In parallel, the daily number of SARS-CoV-2 infections was obtained from the local council. The correlation between the number of infections and viruses detected in sewage was measured by Pearson correlation coefficients. The results show the amount of viral RNA in the wastewater is directly correlated with the number of infections reported in the week up to the sampling day and also the number of infections reported for the sampling day. Moreover, correlation coefficients show the amount of viral RNA in wastewater increases in advance of the increase in reported infection cases. Therefore, WBE can be used as a tool for monitoring virus spread trends in human communities and can help anticipate the trend of this type of viral infection.

The Effects of Pandemic Restrictions on Public Health-Improvements in Urban Air Quality.

The present study aims to provide evidence on the effects of pandemic curtailment measures on public health, targeting the changes in breathable air quality, within urban areas. The analyzed period covers the full impact of lockdowns in Europe in 2020. We used everyday data for each analyzed pollutant, NO2, SO2, CO, PM2.5 and PM10, from urban monitoring stations that provided real-time concentrations (provided by Copernicus Atmosphere Monitoring Service, Environmental Protection Agency repository and European Environment Agency map services) and satellite data (provided by NASA Orbiting Carbon Observatory 2). In the present study, the urban air quality was computed using a composite index that was further analyzed in comparison with pandemic restrictions. Descriptive statistics, charts and maps were used to visualize the data that covered the analyzed countries. Our results show that air pollution was reduced by 12% after lockdowns in European urban areas, with a 0.76 correlation between air pollution and pandemic restrictions. All air pollutants registered significant drops.

Physical, Psychological and Sexual Abuse of the Minor in the Families from the Northwestern Region of Romania- Social and Medical Forensics.

BACKGROUND: In Romania, the abuse within the family of the minor child is a widespread phenomenon, its extent is insufficiently known because of ignorance/not reporting all the existing cases. METHODS: The participants of the research are represented by two independent groups from the NW Romania 2007-2011, one for sociological study (1544 parents and 1283 children) and another for forensic statistical study (2761 cases of abused children). The sociological study was carried out by analyzing questionnaires applied in schools located in Bihor County, both to children and parents. The statistical analysis was carried out by studying the cases of the physically, sexually, and psychologically abused minors, recorded at Bihor County Forensic Service. RESULTS: Physical neglect and physical abuse are the most common forms of child abuse. The forensic analysis highlight that most of the victims are male from urban areas. Physical abuse is more common in the 16-18 age group, psychological abuse in children aged between 6-10 yr, and sexual abuse in children under the age of 14 years. Girls were subject to sexual abuse, neglect, and emotional abuse, more frequently in rural areas; boys were most often victims of exploitation, physical, and emotional abuse in both urban and rural areas. CONCLUSION: The results of the study led to the formulation of general guidelines on this phenomenon and highlight the need for proposals to improve the current situation of child abuse within the family.

The Seasonality Impact of the BTEX Pollution on the Atmosphere of Arad City, Romania.

Benzene, toluene, and total BTEX (benzene, toluene, ethylbenzene, and xylene) concentrations registered for one year (2016) have been determined every month for one high-density traffic area. The assessment was performed in Arad City, Romania, to evaluate these pollutants and their influence on the inhabitants' health. The contaminants were sampled using a static sampling method and analyzed by gas chromatography coupled with mass spectrometry. Benzene was the most dominant among the BTEX compounds-the average concentrations ranged from 18.00 ± 1.32 µg m-3 in December to 2.47 ± 0.74 µg m-3 in August. The average toluene concentration over the year was 4.36 ± 2.42 µg m-3 (with a maximum of 9.60 ± 2.39 µg m-3 in November and a minimum of 1.04 ± 0.29 µg m-3 in May). The toluene/benzene ratio (T/B) was around 0.5, indicating substantial contributions from mobile sources (vehicles). The emission and accumulation of different aromatic compounds (especially benzene) could deteriorate the urban air quality. The lifetime cancer risk (LTCR) for benzene was found to be more than 10-5 in winter, including the inhabitants in the "probable cancer risk" category.

The Safety of Slaughterhouse Workers during the Pandemic Crisis.

The working conditions in a slaughterhouse are difficult because of the low temperatures, high humidity, and little natural light. Therefore, in these facilities, there is a high demand in the maintenance of strict hygiene rules. Lately, the new SARS-CoV-2 pandemic situation has brought new challenges in the meat industry, as this sector has to maintain its operability to supply the meat and meat products demanded by the consumers. In this challenging period, the safety of the workers is as important as keeping the high demands for the safety of the meat and meat products along with consumer confidence. This paper aims to give an overview of the risks associated with the SARS-CoV-2 virus transmission between the workers in slaughterhouses and to evaluate the stability and infectivity in the working environment of these facilities. Considering the persistence of this virus on different surfaces and the environmental conditions affecting its stability (temperature, relative humidity, and natural light), in the study we proposed several short-, medium-, and long-term preventive measures for minimizing the potential threats of the actual pandemic.

Removal of Cypermethrin from Water by Using Fucus Spiralis Marine Alga.

Alpha-cypermethrin is a synthetic pyrethroid that was extensively used for insect control, since the early 1980s. However, it is known that its presence in the environment has toxic effects on humans and aquatic life forms. For this reason, it is commendable for it to be removed completely from the contaminated environment. In this study, we evaluated the adsorption capacity of a marine alga for the removal of cypermethrin from water. The adsorption experiments were performed based on the batch equilibrium technique. The samples containing the pesticide were analyzed using gas chromatography with an electron capture detector, after liquid-liquid extraction in hexane. The results obtained from the kinetic adsorption studies showed that the equilibrium time was attained after 40 min. The adsorption parameters at equilibrium concentrations, obtained through the Langmuir, Freundlich, and Temkin models, showed that the used brown marine alga has a maximum amount of adsorbed cypermethrin of 588.24 µg/g. The correlation coefficients obtained for each model prove that the Langmuir model best fits the experimental data.

Consequences of analgesics use in early pregnancy: Results of tests on mice.

Self-medication during pregnancy continues to be an issue in developing countries due to poor medical education. The most commonly used drugs are analgesics, mainly acetaminophen (paracetamol, APAP) and, to a lesser extent, ketoprofen (KPF). The aim of the study was to establish whether there are consequences of accidental use of these two drugs during early embryogenesis. The experimental study was performed on 30 pregnant white mice, divided into three groups: a first group to which APAP was administered, a second group to which KPF was administered, and group 3 as a control group. At delivery, the baby mice were examined, and after their first parturition, they were taken into study and examined according to the established protocol. Macroscopic and microscopic examinations of the liver and kidney were performed; liver and renal changes were recorded. Regarding the fertility, the number of fetuses born to mothers that were administered APAP and KPF corresponded to the normal values recorded in this species. Microscopic changes that were found in the kidney were as follows: APAP group - necrosis of the urinary tube, vascular congestions and vascular disorders; KPF group - ectasia, especially in the medullary cavity. Microscopic hepatic changes showed in the APAP group - vascular congestions, vascular disorders and hemosiderin deposits in the Kupffer cells; in the KPF group were found - discrete vascular disorders consisting in sinusoidal capillary ectasia and vascular congestions, as well as the presence of lymphocyte conglomerates. The aforementioned lesions indicate hepatic and renal distress with variable degrees of severity, but they appear to be reversible (the longer the time from the maximum effect of the drug the lower its toxicity).