QSPR for prediction of subcooled vapor pressures (log PL) of polychlorinated trans-azobenzenes

In this study the values of subcooled vapor pressures (log P(L)) were estimated for 209 trans chloroazobenzenes (Ct-ABs) that fill some gaps in analytical and experimental data on these compounds. There are 209 chloro derivatives of trans azobenzenes that are relatively stable and more environmentally relevant than 209 chloro cis congeners. The calculations models were based on the Quantitative Structure-Property Relationship (QSPR) scheme using the semi-empirical method (PM6) in molecular package (MOPAC) software and density functional theory (DFT) method using B3LYP functional and 6-311++G** basis set) in Gaussian 03 software method and the artificial neural networks (ANNs) prediction. The values of log P(L) predicted by models used varied between -3.94 to -2.66 for Mono-; -4.85 to -2.97 for Di-; -5.18 to -3.17 for Tri-; -6.02 to -3.77 for Tetra-; -6.64 to -4.64 for Penta-; -7.36 to -4.76 for Hexa-; -7.54 to -5.79 for Hepta-; -7.75 to -6.64 for Octa-; -7.89 to -7.44 for Nona-Ct-Abs; and -8.09 and -8.13 for Deca-Ct-AB. Based on these values Ct-ABs can be grouped localized among relatively low (log P(L) -4 to -2) and low (log P(L) < -4) mobile Persistent Organic Pollutants (POPs). Both the calculation methods employed were characterized by similar prediction ability of subcooled vapor pressure values of Ct-ABs, while those of PM6 are much more efficient due to a cheaper hardware used and around 300-fold less time spent on calculations.     

Effect of a mixture of flufenacet and isoxaflutole on population numbers of soil-dwelling microorganisms,enzymatic activity of soil,and maize yield

Abstract

This study was aimed to evaluate the effect of a mixture of flufenacet?+?isoxaflutole on counts of microorganisms, ecophysiological diversity index (EP), colony development index (CD) and on the enzymatic activity of soil and maize growth. The experiment was conducted with sandy clay, to which the tested herbicide was administered in doses of: 0.25, 5.0, 10, 20, 40, 80 and 160?mg/kg. Soil without the addition of the mixture served as the control. Results demonstrated that the tested mixture contributed to a decrease in numbers of Azotobacter, organotrophic bacteria, actinobacteria and fungi. The negative effect of the herbicide could also be noticed in the case of the enzymatic activity of soil. Soil contamination contributed to suppressed activities of dehydrogenases, catalase, urease, alkaline phosphatase and arylsulfatase. In turn, the initial increase in the activity of β-glucosidase was followed by its decline observed with time. The flufenacet?+?isoxaflutole mixture affected also maize plant growth, reducing maize dry matter yield when used at doses from 5.0 to 160?mg/kg. In summary, it may be concluded that mixture evokes a negative effect on the microbiological and biochemical activity of soil and that their excess in the soil leads to plant decay as at the seeding stage.     

Forest health status in the Carpathian Mountains over the period 1997-2001

The results of forest health status assessments in the Carpathian Mountains from the monitoring networks developed by the European Union Scheme on the Protection of Forest Against Atmospheric Pollution (EU Scheme) and International Co-operative Programme on Assessment and Monitoring of Air Pollution Effects on Forests (ICP-Forests), have led to a better understanding of the impact of air pollution and other stressors on forests at the regional scale. During the period 1997-2001, forests in the Carpathian Mountains were severely affected by air pollution and natural stresses with 29.7-34.9% of the trees included in defoliation classes 2-4. The broadleaves were slightly healthier than the conifers, and European beech (Fagus sylvatica) was the least affected species. Norway spruce (Picea abies) has poor health status, with 42.9-46.6% of the trees damaged (2-4% defoliation classes). Silver fir (Abies alba) damage was also high, with 46.0-50.9% in defoliation classes 2-4. Pines (primarily Pinus sylvestris) were the least affected of the conifers, with 24.9-33.8% in defoliation classes 2-4. The results from the transnational networks (16 x 16 km) show that the Carpathian forests are slightly more damaged than the average for the entire Europe. The correlative studies performed in individual European countries show the relationships between air pollution stressors with trends in defoliation and a possible effect of natural stresses at each site. More specific, effects of tree age, drought, ozone and acid deposition critical level exceedances were demonstrated to affect crown condition.     

Prevalence of Human Parainfluenza Viruses and Noroviruses Genomes on Office Fomites

The aim of this study was to evaluate the potential role of office fomites in respiratory (human parainfluenza virus 1—HPIV1, human parainfluenza virus 3—HPIV3) and enteric (norovirus GI—NoV GI, norovirus GII—NoV GII) viruses transmission by assessing the occurrence of these viruses on surfaces in office buildings. Between 2016 and 2017, a total of 130 surfaces from open-space and non-open-space rooms in office buildings located in one city were evaluated for HPIV1, HPIV3, NoV GI, and NoV GII viral RNA presence. Detection of viruses was performed by RT-qPCR method. Study revealed 27 positive samples, among them 59.3% were HPIV3-positive, 25.9% HPIV1-positive, and 14.8% NoV GII-positive. All tested surfaces were NoV GI-negative. Statistical analysis of obtained data showed that the surfaces of office equipment including computer keyboards and mice, telephones, and desktops were significantly more contaminated with respiratory viruses than the surfaces of building equipment elements such as door handles, light switches, or ventilation tracts (χ ² p = 0.006; Fisher’s Exact p = 0.004). All examined surfaces were significantly more contaminated with HPIVs than NoVs (χ ² p = 0.002; Fisher’s Exact p = 0.003). Office fomites in open-space rooms were more often contaminated with HPIVs than with NoVs (χ ² p = 0.016; Fisher’s Exact p = 0.013). The highest average concentration of HPIVs RNA copies was observed on telephones (1.66 × 10² copies/100 cm²), while NoVs on the light switches (1.40 × 10² copies/100 cm²). However, the Kruskal–Wallis test did not show statistically significant differences in concentration levels of viral RNA copies on surfaces between the all tested samples. This study unequivocally showed that individuals in office environment may have contact with both respiratory and enteric viral particles present on frequently touched surfaces.     

Phenolic compounds in leaves of Salix species and hybrids growing under different soil conditions

The leaves of eight Salix species/hybrids were collected from two sites with different soil conditions including metal concentrations to investigate the concentration of Cu, Zn and Pb, phenolic profile and antioxidant scavenging activity. Cu, Zn and Pb, phenolic content and scavenging activity in leaves from the control area (lower concentration of metals in soil) (site C) were lower than in plants cultivated in site G (higher concentration of metals in soil). The content of Cu, Pb and Zn in leaves was in the range 9.21 (site G)–52.36 (site G), 0.41 (site C)?12.03 (site C) and 27.23 (site C)–214.44 (site G) mg?kg^?1, respectively. Total phenolic content ranged between 18.19 (site C) and 84.71 (site G) mg gallic acid equivalent per gram of dry matter. Total flavonoid content was between 7.98 (site C) and 54.48 (site G) mg catechin g^?1?d.m. The scavenging effect on 2,2-diphenyl-1-picrylhydrazyl˙ ranged between 33.6% (site C) and 56.3% (site G). Phenolic acids, myricetin and quercetin were quantified in leaves. The results show that phenolics are involved during adaptive mechanisms under elevated content of Cu, Pb and Zn in soil. Changes in the phenolic composition in leaves can be suggested as indicators of metal stress in Salix plants.     

Resistance of aerobic microorganisms and soil enzyme response to soil contamination with Ekodiesel Ultra fuel

This study determined the susceptibility of cultured soil microorganisms to the effects of Ekodiesel Ultra fuel (DO), to the enzymatic activity of soil and to soil contamination with PAHs. Studies into the effects of any type of oil products on reactions taking place in soil are necessary as particular fuels not only differ in the chemical composition of oil products but also in the composition of various fuel improvers and antimicrobial fuel additives. The subjects of the study included loamy sand and sandy loam which, in their natural state, have been classified into the soil subtype 3.1.1 Endocalcaric Cambisols. The soil was contaminated with the DO in amounts of 0, 5 and 10 cm³ kg⁻¹. Differences were noted in the resistance of particular groups or genera of microorganisms to DO contamination in loamy sand (LS) and sandy loam (SL). In loamy sand and sandy loam, the most resistant microorganisms were oligotrophic spore-forming bacteria. The resistance of microorganisms to DO contamination was greater in LS than in SL. It decreased with the duration of exposure of microorganisms to the effects of DO. The factor of impact (IF_DO) on the activity of particular enzymes varied. For dehydrogenases, urease, arylsulphatase and β-glucosidase, it had negative values, while for catalase, it had positive values and was close to 0 for acid phosphatase and alkaline phosphatase. However, in both soils, the noted index of biochemical activity of soil (BA) decreased with the increase in DO contamination. In addition, a positive correlation occurred between the degree of soil contamination and its PAH content.

     

Assessment of health risk from organochlorine pesticides residues in high-fat spreadable foods produced in Poland

Currently, butter and margarine are food products attracting wide customer interest. Every day, consumers around the world buy these products for human consumption. Butter is obtained from milk fat, while margarine is derived from vegetable oils. The content of organochlorine pesticide (OCP) residues was examined in both types of these high fatty products. A gas chromatograph with MSD (HP 5973) detector was used for the determination of pesticides such as α-HCH, β-HCH, γ-HCH, DDT, DDD, DDE, aldrin, dieldrin, endrin, heptachlor and heptachlor epoxide. The examined products had diverse concentrations of the analyzed compounds. Visible was the division based on the origin of the product, which might be composed of animal or vegetable fats. The research has revealed the presence of OCP residues in all examined spreads. Quantities of organochlorine compounds did not pose an immediate danger to the consumers’ health. Human and environmental health risk assessment was carried out by the estimation of lifetime average daily dose (LADD) and non-carcinogenic health hazard quotient (HQ). Total estimated LADD ranged between 1.3 × 10^?5 and 3.1 × 10^?5 mg kg^?1 d^?1 for butter, and 1.9 × 10^?6 and 4.6 × 10^?6 mg kg^?1 d^?1 for margarine and mix spread. The HQ ranged between 1.1 × 10^?4 and 3.7 × 10^?4 for butter, and 1.4 × 10^?5 and 9.0 × 10^?6 for margarine and mix spread for adults. These estimated HQs were within the safe acceptable limits, indicating a negligible risk to the residents of the study area.     

The estimation of consumer health risk associated with organochlorine xenobiotics in hard smoked cheese in Poland

The aim of this study was to estimate the health risks associated with consumption of smoked cheeses, which are popular in Poland. The analysis covered polychlorinated biphenyl (PCB) indicator congeners (ndl-PCBs: PCB 28, PCB 52, PCB 101, PCB 138, PCB 153, PCB 180), dioxin-like PCBs (dl-PCBs): non-ortho (PCB 77, PCB 81, PCB 126, PCB 169) and mono-ortho (PCB 105, PCB 114, PCB 118, PCB 156, PCB 157), as well as organochlorine pesticides (OCPs: αHCH, βHCH, γHCH, heptachlor, aldrin, heptachlor epoxid isomer B, dieldrin, pp'DDE op′DDD, pp′DDT, pp′DDD, op′DDT, endrin). The pesticide residues detected in the examined cheese were below the maximum residues levels. The estimated daily intake [lifetime average daily dose (LADD)] referring to the sum of the compounds varied within 4.21·10^?7–3.92·10^?6 mg·kg^?1·day^?1 and was significantly lower than the tolerable daily intake/acceptable daily intake (TDI/ADI) for individual compounds. The health hazard quotient, being the exact measure of the magnitude of exposure potential or a quantifiable potential for developing non-carcinogenic health effects after an averaged exposure period, was also very low, ranging from 2.87·10^?6 to 5.32·10^?5. The obtained results confirmed that the intake of rennet cheese does not pose any consumer health risk in Poland.     

Tipping Points in the Arctic: Eyeballing or Statistical Significance?

Arctic ecosystems have experienced and are projected to experience continued large increases in temperature and declines in sea ice cover. It has been hypothesized that small changes in ecosystem drivers can fundamentally alter ecosystem functioning, and that this might be particularly pronounced for Arctic ecosystems. We present a suite of simple statistical analyses to identify changes in the statistical properties of data, emphasizing that changes in the standard error should be considered in addition to changes in mean properties. The methods are exemplified using sea ice extent, and suggest that the loss rate of sea ice accelerated by factor of ~5 in 1996, as reported in other studies, but increases in random fluctuations, as an early warning signal, were observed already in 1990. We recommend to employ the proposed methods more systematically for analyzing tipping points to document effects of climate change in the Arctic.