The Karnafully is one of the most important rivers due to its profound influence on water chemistry and sediment characteristics. The present study intended to assess the quality of water and sediment from intertidal zone of this river in respect to the pollution index. Seasonal water and sediment samples were collected during four seasons (Monsoon, post-monsoon, winter, and pre-monsoon) of 2014. The result indicates that these investigated parameters ranged as water temperature (21.7-36 °C), pH (8.0-8.7), salinity (2.4-8.8‰), total suspended solid (0.08-0.8 g/L), dissolve oxygen (0.00-4.52 mg/L), soil temperature (21.3-33 °C), pH (5.0-6.8), sand (4.13-44.10%), silt (39.93-75.89%), clay (11.98-21.19%), soil organic matter (4.33-6.21%), organic carbon (2.5-3.6%), nitrite-nitrogen (0.69-3.97 µg/L), and phosphate-phosphorus (0.23-3.44 µg/L). Multivariate statistical analyses like post-hoc LSD test, Cluster Analysis (CA), and Principal Component analysis (PCA) brought out the spatial and temporal changing pattern of water chemistry and sediment characteristics with the effect of uprising pollution. CA ascertained the compatibility among different parameters and categorized the monitoring sites into highly and moderately polluted areas. Moreover, PCA brought out five primary components and highlighted the three dormant factors, enormously regulating the river water chemistry such as municipal waste, carbon based nitrogenous compound, and local geomorphological weathering process. This investigation provided an outline on deterioration of water and sediment quality by high anthropogenic impact and suggests national policy maker to take some initiatives for retaining the quality water and sediment properties.

Estuarine environment is complex and receives different contaminants from numerous sources that are persistent, bioaccumulative and toxic. The distribution, source, contamination and ecological risk status of heavy metals in sediment of Brisbane River, Australia were investigated. Sediment samples were analysed for major and minor elements using LA-ICP-MS. Principal component analysis and cluster analysis identified three main sources of metals in the samples: marine sand intrusion, mixed lithogenic and sand intrusion as well as transport related. To overcome inherent deficiencies in using a single index, a range of sediment quality indices, including contamination factor, enrichment factor, index of geo-accumulation, modified degree of contamination, pollution index and modified pollution index were utilised to ascertain the sediment quality. Generally, the sediment is deemed to be “slightly” to “heavily” polluted. A further comparison with the Australian Sediment Quality Guidelines indicated that Ag, Cr, Cu, Ni, Pb and Zn had the potential to rarely cause biological effects while Hg could frequently cause biological effects. Application of potential ecological risk index (RI) revealed that the sediment poses moderate to considerable ecological risk. However, RI could not account for the complex sediment behaviour because it uses a simple contamination factor. Consequently, a modified ecological risk index (MRI) employing enrichment factor is proposed. This provides a more reliable understanding of whole sediment behaviour and classified the ecological risk of the sediment as moderate to very high. The results demonstrate the need for further investigation into heavy metal speciation and bioavailability in the sediment to ascertain the degree of toxicity.

PCBs (polychlorinated biphenyls) were determined in sediment/soil profiles to a depth of 30 cm from three different wetlands (i.e., ditch wetlands, riparian wetlands and reclaimed wetlands) of the Pearl River Estuary to elucidate their levels, distribution and toxic risks along a 100-year chronosequence of reclamation. All detected PCB congeners and the total 15 PCBs (∑15 PCBs) decreased with depth along sediment/soil profiles in these three wetlands. The ∑15 PCBs concentrations ranged from 17.68 to 169.26 ng/g in surface sediments/soils. Generally, old wetlands tended to have higher PCB concentrations than younger ones. The dominant PCB congeners at all sampling sites were light PCB homologues (i.e., tetra-CBs and tri-CBs). According to the sediment quality guideline, the average PCB concentrations exceeded the threshold effects level (TEL, 21.6 ng/g) at most of the sampling sites, exhibiting possible adverse biological effects, which were dominantly caused by light PCB congeners. The total toxic equivalent (TEQ) concentrations of 10 dioxin-like PCBs (DL-PCBs) detected at all sampling sites ranged from 0.04 to 852.7 (10−3 ng/g), mainly affected by PCB126. Only DL-PCB concentrations in ditch and riparian wetland sediments with 40-year reclamation histories (i.e., D40 and Ri40) exhibited moderate adverse biological effects according to SQGQ values. Principal component analysis indicated that PCBs in three wetland sediments/soils mainly originated from Aroclor 1016, 1242, and 1248. Correlation analysis showed that sediment/soil organic carbon content had a significant correlation with the concentrations of several PCB congeners (P < 0.05), whereas no significant correlations were observed between any PCBs congeners and grain size or aggregate content (P > 0.05).

Polycyclic aromatic hydrocarbons (PAHs) were assessed spatially and temporally within and adjacent to a former coking and steel manufacturing facility in Sydney, Nova Scotia, Canada. Concentrations of PAHs were measured in surface soils, marine and estuary sediments prior to and during remediation of the Sydney Tar Ponds (STPs) site which was contaminated by nearly a century of coking and steel production. Previous studies identified PAHs in surficial marine sediments within Sydney Harbour, which were considered to be derived from STP discharges. Numerous PAH fingerprint techniques (diagnostic ratios, principal component analysis, quantitative and qualitative analysis) were applied to soil and sediment samples from the STPs and surrounding area to identify common source apportionment of PAHs. Results indicate coal combustion (from historical residential, commercial and industrial uses) and coal handling (from historic on-site stockpiling and current coal transfer and shipment facilities) are likely the principal source of PAHs found in urban soils and marine sediments, consistent with current and historical activities near these sites. However, PAH fingerprints associated with STP sediments correlated poorly with those of urban soils and marine sediments, but were similar to coal tar, historically consistent with by-products produced by the former coking operations. This study suggests PAH contamination of Sydney Harbour sediments and urban soils is largely unrelated to historic coking operations or recent remediation of the STPs site, but rather a legacy of extensive use of coal for a variety of activities.

Among urban stormwater pollutants, hydrocarbons are a significant environmental concern due to their toxicity and relatively stable chemical structure. This study focused on the identification of hydrocarbon contributing sources to urban road dust and approaches for the quantification of pollutant loads to enhance the design of source control measures. The study confirmed the validity of the use of mathematical techniques of principal component analysis (PCA) and hierarchical cluster analysis (HCA) for source identification and principal component analysis/absolute principal component scores (PCA/APCS) receptor model for pollutant load quantification. Study outcomes identified non-combusted lubrication oils, non-combusted diesel fuels and tyre and asphalt wear as the three most critical urban hydrocarbon sources. The site specific variabilities of contributions from sources were replicated using three mathematical models. The models employed predictor variables of daily traffic volume (DTV), road surface texture depth (TD), slope of the road section (SLP), effective population (EPOP) and effective impervious fraction (EIF), which can be considered as the five governing parameters of pollutant generation, deposition and redistribution. Models were developed such that they can be applicable in determining hydrocarbon contributions from urban sites enabling effective design of source control measures.

Surface and building runoff can significantly contribute to the total metal loading in urban runoff waters, with potential adverse effects on the receiving ecosystems. The present paper analyses the corrosion-induced metal dissolution (Fe, Mn, Cr, Ni, Cu) from weathering steel (Cor-Ten A) with or without artificial patinas, exposed for 3 years in unsheltered conditions at a marine urban site (Rimini, Italy). The influence of environmental parameters, atmospheric pollutants and surface finish on the release of dissolved metals in rain was evaluated, also by means of multivariate analysis (two-way and three-way Principal Component Analysis). In addition, surface and cross-section investigations were performed so as to monitor the patina evolution. The contribution provided by weathering steel runoff to the dissolved Fe, Mn and Ni loading at local level is not negligible and pre-patination treatments seem to worsen the performance of weathering steel in term of metal release. Metal dissolution is strongly affected by extreme events and shows seasonal variations, with different influence of seasonal parameters on the behaviour of bare or artificially patinated steel, suggesting that climate changes could significantly influence metal release from this alloy. Therefore, it is essential to perform a long-term monitoring of the performance, the durability and the environmental impact of weathering steel.

The second‒order rate constants (k) of hydroxyl radical (·OH) with polychlorinated biphenyls (PCBs) in the gas phase are of scientific and regulatory importance for assessing their global distribution and fate in the atmosphere. Due to the limited number of measured k values, there is a need to model the k values for unknown PCBs congeners. In the present study, we developed a quantitative structure–activity relationship (QSAR) model with quantum chemical descriptors using a sequential approach, including correlation analysis, principal component analysis, multi−linear regression, validation, and estimation of applicability domain. The result indicates that the single descriptor, polarizability (α), plays an important role in determining the reactivity with a global standardized function of lnk = −0.054 × α ‒ 19.49 at 298 K. In order to validate the QSAR predicted k values and expand the current k value database for PCBs congeners, an independent method, density functional theory (DFT), was employed to calculate the kinetics and thermodynamics of the gas‒phase ·OH oxidation of 2,4′,5-trichlorobiphenyl (PCB31), 2,2′,4,4′-tetrachlorobiphenyl (PCB47), 2,3,4,5,6-pentachlorobiphenyl (PCB116), 3,3′,4,4′,5,5′-hexachlorobiphenyl (PCB169), and 2,3,3′,4,5,5′,6-heptachlorobiphenyl (PCB192) at 298 K at B3LYP/6–311++G**//B3LYP/6–31 + G** level of theory. The QSAR predicted and DFT calculated k values for ·OH oxidation of these PCB congeners exhibit excellent agreement with the experimental k values, indicating the robustness and predictive power of the single–descriptor based QSAR model we developed.

The aim of this study was to identify how hydrologic factors (e.g., rainfall, maximum depth, reservoir and catchment area, and water residence time) and water chemistry factors (e.g., conductivity, pH, suspended particulate matter, chlorophyll-a, dissolved organic carbon, and sulfate) interact to affect the spatial variance in monomethylmercury (MMHg) concentration in nine artificial reservoirs. We hypothesized that the MMHg concentration of reservoir water would be higher in eutrophic than in oligotrophic reservoirs because increased dissolved organic matter and sulfate in eutrophic reservoirs can promote in situ production of MMHg. Multiple tools, including Pearson correlation, a self-organizing map, and principal component analysis, were applied in the statistical modeling of Hg species. The results showed that rainfall amount and hydraulic residence time best explained the variance of dissolved Hg and dissolved MMHg in reservoir water. High precipitation events and residence time may mobilize Hg and MMHg in the catchment and reservoir sediment, respectively. On the contrary, algal biomass was a key predictor of the variance of the percentage fraction of unfiltered MMHg over unfiltered Hg (%MMHg). The creation of suboxic conditions and the supply of sulfate subsequent to the algal decomposition seemed to support enhanced %MMHg in the bloom reservoirs. Thus, the nutrient supply should be carefully managed to limit increases in the %MMHg/Hg of temperate reservoirs.

Spatial-temporal distributions, sources identification and risk assessment of polycyclic aromatic hydrocarbons (PAHs) in overlying water and surface sediments in urban river networks of Shanghai were studied. Analytical results showed that there was a significant seasonal variation in concentrations of ∑16PAHs in water, suspended particulate matter (SPM) and sediment phases in this study area. The PAHs pollution in these multi-phases were in the medium level compared with other areas around the world, and the levels of PAHs contamination in SPM and sediment phases in hierarchical rivers showed TS (the third-order stream) > FS (the first-order stream) > SS (the second-order stream). Two manners of isomer ratios and principal component analysis (PCA) were used to identify PAHs origins, and suggested that combustion processes are dominant for PAHs sources. The ratios of PAHs origins by fossil fuels combustion, coke burning and crude oil in hierarchical rivers were determined with FS > SS > TS in SPM and sediment phases, and the ratio of PAHs origins by traffic emissions was analyzed with TS > SS > FS. PAHs in water samples have a certain impact on aqueous ecological system especially due to the fact that the ∑ceq values of nine PAHs were calculated from 0.715 to 15.831 μg/L in winter, which inferred serious ecological risk to some special aquatic organisms. The calculations of MERMQ in sediment samples showed that the MERMQ values ranged from 0.021 to 1.209 in winter and 0.019 to 0.643 in summer, which suggested high toxicity at six sampling sites in winter and only one location in summer due to high levels of PAHs. Furthermore, the toxicity degree of sediments were demonstrated with TS > FS > SS.

Several pollutants, which include metals, are present in the Antarctic atmosphere, snow, marine and terrestrial organisms. This work reports the elements incorporated by Usnea sp thalli in Potter Peninsula, 25 de Mayo (King George) Island, South Shetlands, Antarctica. Geological origin was analyzed as possible sources of elements. For this purpose, correlations were done using a geochemical tracer, principal component analysis and enrichment factors were computed. Lithophile elements from particulate matter were present in most of the sampling sites. Bromine, Se and Hg showed the highest enrichment factors suggesting other sources than the particulate matter. Mercury values found in Usnea sp were in the same range as those reported for Deception Island (South Shetlands) and remote areas from the Patagonia Andes.