Theoretical studies on the nature and strength of an intermolecular non-covalent Te•••π interaction

<p>DFT and MP2 calculations were used to determine the nature of non-covalent tellurium–π interactions in R₂Te•••C₆H₆ (R = H, F, Cl, CH₃) and C₄H₄Te•••C₆H₆ systems. The results showed that the strength of Te···π interaction follows the order F₂Te > Cl₂Te > tellurophene > H₂Te > Me₂Te. Also, the F₂X···π system complexes (X = Te or Se, π system = C₆F₆, C₆(CH₃)₆, Cr(C₆H₆)₂ and coronene) were studied for investigating the direction of charge flow in Te···π interaction. The obtained data expressed that the existence of electron withdrawing group on Te atom increases the strength of Te•••π interaction while the fluorine atoms on benzene ring decrease it. The breakdown of Δ<i>E</i>_int in the R₂Te···C₆H₆ (R = H, F, Cl, CH₃) and C₄H₄Te···C₆H₆ systems using two dispersion corrected DFT methods showed that when the R group on divalent tellurium atom is an electron withdrawing substituent, the contribution of Δ<i>E</i>_elstat and Δ<i>E</i>_orb in total interaction energy increases and the value of Δ<i>E</i>_int is relatively large. The present data also showed that the intermolecular Te···π interactions are slightly stronger than corresponding Se···π interactions.</p

Zoning of Dust Heavy Metals in Arak Plain Using Pollution Indicators and Geographic Information System (GIS)

Background: In regions with heightened pollutant concentrations, especially in industrial and urban areas, dust plays a crucial role in carrying complex metal components, posing environmental challenges and health risks. This study utilized pollution indicators and geographic information system (GIS) to delineate the spatial distribution of heavy metals in the Arak plain.Methods: Dust samples from 30 stations across the Arak plain were systematically collected through random sampling. Analysis using inductively coupled plasma spectrometry (ICP-OES) allowed the calculation of pollution indices (PI) and the Nemerow Integrated Pollution Index (NIPI) for lead (Pb), zinc (Zn), copper (Cu), nickel (Ni), and iron (Fe). GIS generated spatial distribution maps depicting metal pollution.Results: The average concentrations were 45.5 mg/kg for Pb, 10.7 mg/kg for Zn, 0.47 mg/kg for Cu, 30.8 mg/kg for Ni, and 0.206 mg/kg for Fe. Analysis of PI, NIPI, and spatial distribution maps revealed heightened pollution in the northeast, center, south, and southwest areas of the Arak plain, attributed to human activities like heavy vehicle traffic, high population density, concentrated agriculture, and specific industrial operations.Conclusion: The study recommends mitigation strategies, including biological methods like phytoremediation, promotion of public transportation, mandatory environmental standards for industries, and encouragement of green practices. These initiatives aim to address and reduce environmental pollution in the Arak plain

Human Health Risk of Some Heavy Metals in the Surface Soil of Arak Plain

Background & Aims: Soil contamination with heavy metals is becoming a major environmental concern today. Therefore, the present study was conducted to evaluate the health risks of heavy metals in the surface soil of Arak plain. Materials and Methods: Soil samples were collected by random sampling from 30 stations with three replications from a depth of 0-20 cm. After acidic digestion of the samples (HNO3: HclO4: HF = 3: 2: 1), the concentrations of lead (Pb), zinc (Zn), copper (Cu), nickel (Ni), and cadmium (Cd) were determined by atomic absorption spectrometry. Finally, the carcinogenic and non-carcinogenic hazards of heavy metals in surface soils for human health were assessed through ingestion, inhalation, and dermal absorption using the method recommended by the EPA for children and adults. Results: The results indicated that the average total concentrations of heavy metals of Pb, Zn, Cu, Ni, and Cd in the study area are 10.01, 13.83, 39.82, 43.41, and 11.9 mg/kg, respectively. The highest and lowest average daily dose (ADD) of elements in both age groups were related to Ni metal from the ingestion route and Cd metal from the inhalation tract, respectively. Further, the non-carcinogenic risk hazard quotient (HQ) of heavy metals in all three paths was less than 1. The results of the non-carcinogenic hazard index (HI) risk assessment of all three pathways separately for each metal and for both groups of children and adults showed metal values as Cu > Cd > Zn > Pb > Ni, respectively. In addition, the results of the carcinogenic risk index (RI) in the surface soil of Arak plain revealed that Ni and Pb have the highest and the lowest carcinogenic risk, respectively. Conclusion: Finally, considering the size of the study area and proving the carcinogenic hazards and risks in the area, it is necessary and important to pay attention to health and environmental principles

Seroprevalence of Human Fascioliasis Using Indirect ELISA in Isfahan District, Central Iran In 2013

Background: The aim of this study was to detect the seroprevalence of human fascioliasis in Isfahan County, central Iran in 2013. Methods: Overall, 471 sera samples were collected from people recalled randomly to 20 health centers in the city of Isfahan and 10 related villages in 2014. Sera were examined using ELISA test. A questionnaire was filled out for each participant. Results: Altogether eight cases (1.7%) were seropositive which had the OD absorbance in ELISA test more than the calculated cutoff of 0.36. All of them were female. One positive subject had a history of consuming Delar (Local dish) and three seropositive cases with history of eating Zeitoon-Parvadeh (Proceeded olive). Conclusion: Isfahan County might be considered as one area apt for fascioliasis.More studies in terms of veterinary investigation and verifying the risk factors are necessary.