Use of new Indices for the Assessment of Air Quality in the Safi Region (Morocco) using Lichen Biomonitoring of Air Contamination by Trace Elements.

This study aims to use environmental indices as complementary tools to other air quality biomonitoring techniques. The concentrations of trace elements Hg, Se, V, Mo, and Ba were analyzed by ICP-MS in four lichens: Xanthoria calcicola, Xanthoria parietina, Ramalina pollinaria, and Ramalina lacera. To assess the contamination of lichens by trace elements, different environmental indices were calculated: Contamination Index (Ic), Contamination Factor (CF), Pollution Load Index (PLI) and Enrichment Factor (EF). The results revealed that the genus Ramalina has a low tolerance to polymetallic pollution with a PLI not exceeding 0.44. The genus Xanthoria seems more resistant to polymetallic pollution with a maximum PLI of 2.58. The calculation of the enrichment factor revealed a very strong enrichment of the lichens in Mo, Hg and Se with a maximum content in Ba which reflects a strong metallic contamination of various origins especially in the urban and industrial areas of the region.

Using pollution indices to develop a risk classification tool for gold mining contaminated soils.

The presence of potentially toxic elements (PTEs) in soil and plants is a risk factor to human well-being and the environment. Soil and leaves from a traditional medicinal plant, Vachellia karroo, known as the sweet thorn plant, were assessed to determine the extent of pollution by PTEs from gold mine tailings in a case study area of Matjhabeng Local Municipality, South Africa. A risk classification tool was developed using the different indicators of pollution quantified to describe the pollution risk at each sampling site. High concentrations of copper, cadmium, lead, nickel, and zinc were measured in the soil, which exceeded the maximum permissible soil quality limits. The enrichment factor and geoaccumulation index results also confirmed heavy soil pollution by copper, nickel, and zinc, with exceptionally heavy pollution by cadmium and selenium. The PTEs in the soil were in an exchangeable form, with the sweet thorn plant accumulating lead and selenium at toxic levels, which poses a risk to the health of the local people as the plant is used for medicinal purposes. The overall pollution risk classification tool of the sampling sites showed that 17% were high-risk areas, 53% were moderate-risk areas, and 20% of the sites were low-risk areas.

Identifying contamination of heavy metals in soils of Peruvian Amazon plain: use of multivariate statistical techniques.

The Peruvian Amazon plain has abundant natural resources and is home to great biodiversity, which makes it an area with high economic potential. However, the use of its resources through various activities has contributed to the release of heavy metals (HMs) into its soils, generating severe pollution problems which have mainly affected the health of local populations and their ecosystems. Currently, there are no comprehensive studies that have identified the specific sources of contamination by HMs in the soils of this part of the Peruvian territory. In this sense, this research aims to identify the possible sources of contamination by HMs in the soils of the Peruvian Amazon plain to focus efforts on the establishment of adequate measures for the protection of the health of people and the ecosystem. In the present study, samples of topsoils (0-20 cm depth) and subsoils (100-150 cm depth) were collected for the analysis of 11 HMs (Co, Cr, Cu, Fe, Mn, Ni, Pb, V, Zn, Be, and Hg) in 48 sites located in four regions of the Peruvian Amazon plain (Loreto, Amazonas, San Martín, and Ucayali), over the year 2019. The enrichment factor and geoaccumulation index were applied to assess contamination levels of HMs. The results indicated that topsoils and subsoils presented a greater enrichment by the elements Be and Pb, and were classified as moderately contaminated. Likewise, the integral analysis of these indexes together with principal component analysis, hierarchical cluster analysis, correlation analysis, and coefficient of variation allowed the identification of potential sources of contamination by HMs. As a result, Fe, Co, Zn, Ni, V, and Cr were associated with natural or lithogenic sources (parent material, crude oil deposits, and organic matter decomposition). Hg was attributed to anthropogenic sources (illegal gold mining, atmospheric deposition, and vehicle emissions). Be, Pb, Cu, and Mn originated from natural sources (parent material, crude oil deposits, decomposition of organic matter, and forest fires) and anthropogenic (areas degraded by solid waste, illegal gold mining, agriculture, and hydrocarbons). These findings provide essential information to establish regulations and prevent and control HM contamination in soils of the Peruvian Amazon plain.

Computational Prediction of Compound-Protein Interactions for Orphan Targets Using CGBVS.

A variety of Artificial Intelligence (AI)-based (Machine Learning) techniques have been developed with regard to in silico prediction of Compound-Protein interactions (CPI)-one of which is a technique we refer to as chemical genomics-based virtual screening (CGBVS). Prediction calculations done via pairwise kernel-based support vector machine (SVM) is the main feature of CGBVS which gives high prediction accuracy, with simple implementation and easy handling. We studied whether the CGBVS technique can identify ligands for targets without ligand information (orphan targets) using data from G protein-coupled receptor (GPCR) families. As the validation method, we tested whether the ligand prediction was correct for a virtual orphan GPCR in which all ligand information for one selected target was omitted from the training data. We have specifically expressed the results of this study as applicability index and developed a method to determine whether CGBVS can be used to predict GPCR ligands. Validation results showed that the prediction accuracy of each GPCR differed greatly, but models using Multiple Sequence Alignment (MSA) as the protein descriptor performed well in terms of overall prediction accuracy. We also discovered that the effect of the type compound descriptors on the prediction accuracy was less significant than that of the type of protein descriptors used. Furthermore, we found that the accuracy of the ligand prediction depends on the amount of ligand information with regard to GPCRs related to the target. Additionally, the prediction accuracy tends to be high if a large amount of ligand information for related proteins is used in the training.

Biofortification of edible plants with selenium and iodine - A systematic literature review.

Soil depletion with absorbed forms of microelements is a realistic problem leading to the formation of many human, plant, animal diseases related with micronutrient deficiencies. Searching for new ways to solve this problem is a crucial for the agro-chemical approach to food production. There are many research papers on plant micronutrient fertilization. However, there is still a lack of systematic review of the literature, which summarizes the most recent knowledge on biofortification of food of plant origin with microelements. This work is a systematic review which presents the various methodologies and compares the results of the applied doses and types of fertilizer formulation with the yield and micronutrient content of edible parts of plants. The PRISMA protocol-based review of the most recent literature data from the last 5 years (2015-2020) concerns enrichment of plants with selenium and iodine. These elements, in contrast to other microelements (zinc, manganese, iron, copper and others) are given to plants most often in anionic form: selenium - SeO32- and SeO42-, iodine - I- and IO3-, making them a separate subgroup of microelements. The review focuses on original research papers (not reviews), collected in 3 popular scientific databases: Scopus, Web of Knowledge, PubMed. This study shows how to effectively cope with hidden hunger taking into account the significance of optimized fertilization. Based on the collected data, the best method of micronutrients administration an integrated fortification strategy for selected trace elements and prospects in research/action development was proposed. It was found that the best way to enrich plants with selenium is foliar fertilization with Se(VI), in increased doses. The effectiveness of fortification is supported by the balanced nutrients fertilization, the presence of microorganisms and selection of plant varieties. Foliar fertilization, in increased doses with iodide (I-) is in turn an effective way to enrich plants with iodine.

Toxic metal(loid)s contamination and potential human health risk assessment in the vicinity of century-old copper smelter, Karabash, Russia.

Active smelters release high concentration of multiple toxic metal(loid)s into the environment, degrading the soil cover and posing high risks to human health. The present study investigates Cu along with other metal(loids) such as As, Cd, Hg, Co, Mn, Pb and Zn in the soil collected from the vicinity of Cu smelter, Karabash, Russia, and potential health risks to local children and adults were assessed. The average concentrations of Cu, Zn, Pb, As, Cd, and Hg in the exposed soil were 2698, 1050, 702, 392, 9 and 2 mg kg-1, respectively, which was significantly (p < 0.05) much higher than reference soil: Cu(107), As(18), Cd(0.3), Hg(0.2), Pb(54) and Zn(125) mg kg-1. The enrichment factor (EF) for Cu, Hg, Pb and Zn showed significant enrichment, whereas very high enrichment was recorded for As (20.0) and Cd (27.6) suggesting the soil was severely affected by smelting activities. The pollution load index was tenfold higher than the acceptable level of one, whereas potential ecological risk factor showed very high potential risks of Cd and Hg, along with a considerable ecological risk of As and Cu. Very high ecological risk index of 1810 indicates severe degradation of environmental ecosystem. The results of EF, Pearson correlation and principle component analysis were complementary and suggest the anthropogenic source of contamination for Cu, As, Pb, Hg and Cd. The present result suggests As > Pb > Cu in the exposed soil were the major contributors for the health risks and account for 81%, 12% and 5%, and 77%, 12% and 8% of hazard quotient for children and adults, respectively. Noticeably, the health risks to local children dwelling in the vicinity of Cu smelter were 12 and 20 times higher than to adult and the acceptable level of one, respectively. Therefore, in order to reduce the health risk due to metal(loid)s, mitigation measures are needed to remediate the pollution of the exposed soil.

Evaluation of tourism impact on soil metal accumulation through single and integrated indices.

Recently, surface soils of remote or protected areas, that receive pollutants from the surroundings or in situ activities through dry and wet deposition, exceed the baseline content of heavy metals. In the last decades, the use of single and integrated indices is a powerful tool to process, analyze and convey information about metal accumulation degree for decision makers to better manage protected areas. Single indices provide information about only one metal, whereas the integrated ones give a holistic evaluation. The aim of the research was to assess the temporal trends of three single (Contamination Factor, Enrichment Factor and Geo-accumulation Index) and two integrated (Pollution Load Index, Nemerow index) indices in order to evaluate if the touristic impact caused soil metal (Cr, Cu, Ni and Pb) accumulation. In autumn 2016 and in spring 2016 and 2017, the surface soils (0-10 cm) were collected at eight sites inside the Vesuvius National Park (Southern Italy), characterized by intense tourism from spring to autumn. The metal concentrations were measured in the soils and used to calculate the indices. In addition, the Ecological Risk Factor was calculated and the phytotoxicological assays were performed. The findings showed that the surface soils of the Vesuvius National Park were polluted by Cr, Cu, Ni and Pb, according to both single and integrated indices. The touristic impact would seem to be the main cause of soil metal accumulation, as the highest values of the calculated indices were detected for samples collected at the end of the touristic season and the lowest at the beginning of the touristic season. Anyway, Cu and Pb would seem also to derive by ex situ anthropogenic sources, whereas Cr and Ni also by natural sources, such as spontaneous fires and substrate weathering. Finally, the soils showed phytotoxic effects and low ecological risks.

Computational Simulations Identified Two Candidate Inhibitors of Cdk5/p25 to Abrogate Tau-associated Neurological Disorders.

Deregulation of Cdk5 is a hallmark in neurodegenerative diseases and its complex with p25 forms Cdk5/p25, thereby causes severe neuropathological insults. Cdk5/p25 abnormally phosphorylates tau protein, and induces tau-associated neurofibrillary tangles in neurological disorders. Therefore, the pharmacological inhibition of Cdk5/p25 alleviates tau-associated neurological disorders. Herein, computational simulations probed two candidate inhibitors of Cdk5/p25. Structure-based pharmacophore investigated the essential complementary chemical features of ATP-binding site of Cdk5 in complex with roscovitine. Resultant pharmacophore harbored polar interactions with Cys83 and Asp86 residues and non-polar interactions with Ile10, Phe80, and Lys133 residues of Cdk5. The chemical space of selected pharmacophore was comprised of two hydrogen bond donors, one hydrogen bond acceptor, and three hydrophobic features. Decoy test validation of pharmacophore obtained highest Guner-Henry score (0.88) and enrichment factor score (7.23). The screening of natural product drug-like databases by validated pharmacophore retrieved 1126 compounds as candidate inhibitors of Cdk5/p25. The docking of candidate inhibitors filtered 10 molecules with docking score >80.00 and established polar and non-polar interactions with the ATP-binding site residues of Cdk5/p25. Finally, molecular dynamics simulation and binding free energy analyses identified two candidate inhibitors of Cdk5/p25. During 30 ns simulation, the candidate inhibitors established <3.0 Šroot mean square deviation and stable hydrogen bond interactions with the ATP-binding site residues of Cdk5/p25. The final candidate inhibitors obtained lowest binding free energies of -122.18 kJ/mol and - 117.26 kJ/mol with Cdk5/p25. Overall, we recommend two natural product candidate inhibitors to target the pharmacological inhibition of Cdk5/p25 in tau-associated neurological disorders.

Anomalous ratios of radioisotopes in PM10 as tracer of global fallout impact in the centre of Mexico.

The monitoring and evaluation of radioactive content in samples of PM10 aerosols have been investigated. The specific radioactivity concentrations (SRC) of 234U, 235U, 238U and 232Th were determined using inductively coupled plasma-sector field mass spectrometry in 13 samples collected in Mexico City and 8 samples collected in Cuernavaca in the centre of Mexico. The SRC of the radioisotopes analysed in PM10 were larger than those reported in PM2.5. The enrichment factor was greater than 5, indicating anthropogenic influences in both sites. The activity ratios of these isotopes in the samples were determined. The 235U/238U ratio showed variations with respect to the natural value, while the 234U/238U and 232Th/238U ratios did not show any secular equilibrium in all sites, corroborating that the increase of uranium is not influenced by natural sources. The annual dose results obtained have no impact on health.

Risk assessment for potentially toxic metal(loid)s in potatoes in the indigenous zinc smelting area of northwestern Guizhou Province, China.

We investigated potentially toxic metal (loid)s (arsenic, As; cadmium, Cd; chromium, Cr; copper, Cu; mercury, Hg; lead, Pb; selenium, Se; and zinc, Zn) in agricultural samples (i.e., Solanum tuberosum L. tubers (potatoes) and their planting media) in the indigenous zinc smelting area of northwestern Guizhou Province, China. Based on the pollution index values for As, Cd, Pb and Zn, the order of the samples was as follow: slag > planting soil with slag > planting soil without slag, and the order of the samples in terms of the bioconcentration factor was the opposite. Cr, Cu and Hg were present in the planting soil with and without slag at slight pollution levels, and the other potentially toxic metal (loid)s had different degrees of contamination. Additionally, the potentially toxic metal (loid) contents in potato were under their limit values except for Cd (all samples) and Pb and Se (some samples). All bioconcentration factors for potatoes were below 0.5, and no health risk index value for potatoes was higher than 0.1. Therefore, although no significant health risk associated with potentially toxic metal (loid)s via consuming potato exists for either adult men or women in the research area, the Cd concentration in this crop should be monitored.

Ecological risk assessment and distribution of potentially harmful trace elements in lake sediments of Songnen Plain, NE China.

In order to understand the distribution and the ecological risk of the potentially harmful trace elements (PHTEs) in lake sediments of Songnen Plain, northeast (NE) China, an integrated survey of PHTEs (As, Cd, Cr, Cu, Ni, Pb, Zn and Ti) was conducted in July 2015 in 11 shallow lakes adjacent to Qiqihar and Daqing. The enrichment factor (EF) and Index of geoaccumulation (Igeo) results showed that Cd was obviously enriched in all lakes and reached the moderate pollution level. A comparison of PHTE concentrations in the lake sediments from 2005 to 2015 found the PHTEs pollution status doubled. Multivariate statistical analysis identified the heavy industries of petroleum and steel in the cities close to lakes and excessive agricultural fertilizing in the region as possible pollution sources of the PHTEs. The Håkanson index method (RI) and the sediment quality guidelines (SQGs) were used to assess the potential risk of PHTEs in sediments. The risk degree of 11 lakes had reached a medium level of potential ecological risk except for one lake which had a low potential ecological risk status. The Songnen Plain has been significantly affected by anthropogenic activities and this study provides an effective reference for the environmental protection and management of lakes (heavy metal pollution and control) around the heavy industrial cities of China and the world.

The comparison of selenium and lead accumulation between contaminated muddy and sandy sediments from four estuaries along the Persian Gulf: effect of grain size.

Persian Gulf is one of the most important water sources in the economically developed south part of Iran, and metal pollution is a major concern for the Gulf. The bioavailability and distribution of selenium (Se) and lead (Pb) between muddy and sandy sediments from four estuaries along the Persian Gulf were analyzed. The geoaccumulation index and enrichment factor for metals and correlation between particles size with metals concentration were studied. The average concentration of metals in sediment was ranged 0.08-1.14 µg/g for Se and 0.32-4.37 µg/g for Pb in all estuaries, with the highest concentrations in Musa estuary. The results showed there was positive correlation between particles size of sediment with metals concentration. The highest of metal concentration was absorbed in silt (< 63 µm) sediment, followed by extremely fine sand (63-125 µm), fine sand (125-250 µm), medium sand (250-500 µm) and coarse sand (500-1000 µm), respectively. The organic matter and carbonate in the muddy sediment are higher than sandy sediment, and they had high specific storage capacity for accumulation of heavy metals. The result of Pearson correlation (r) for organic matter and metal was 0.78 for Se and 0.67 for Pb, and for carbonates and metal was 0.54 for Se and 0.61 for Pb. The values of EF in all estuaries show that the enrichment of sediment by heavy metals was by anthropogenic activities such as discharge of petrochemical and oil industrial. Geoaccumulation index indicates that the sediment in the Ahmadi and Ghanam estuaries was unpolluted to moderately polluted, while in the Arvand river is moderately to strongly polluted, and in the Musa estuary is extremely polluted.

Trace elements and Pb isotopes in soils and sediments impacted by uranium mining.

The purpose of this study is to evaluate the contamination in As, Ba, Co, Cu, Mn, Ni, Sr, V, Zn and REE, in a high uranium activity (up to 21,000Bq∙kg(-1)) area, downstream of a former uranium mine. Different geochemical proxies like enrichment factor and fractions from a sequential extraction procedure are used to evaluate the level of contamination, the mobility and the availability of the potential contaminants. Pb isotope ratios are determined in the total samples and in the sequential leachates to identify the sources of the contaminants and to determine the mobility of radiogenic Pb in the context of uranium mining. In spite of the large uranium contamination measured in the soils and the sediments (EF≫40), trace element contamination is low to moderate (2

Heavy metal distribution in Laportea peduncularis and growth soil from the eastern parts of KwaZulu-Natal, South Africa.

Laportea peduncularis is a medicinal plant consumed by the native communities in South Africa. Due to its oral consumption, its potential for harming the human health and the distribution of metals in the leaves of L. peduncularis as a function of soil characteristics were evaluated. Broadly, the concentrations of metals in the soil were in decreasing order of Fe > Ca > Mg > Mn > Zn > Cr > Cu > Ni > As > Co > Cd > Pb. Low-molecular-weight organic acid, calcium chloride, and ethylenediaminetetraacetic acid extraction methods were employed to assess for exchangeable forms of metals in the soil. Geoaccumulation indices and enrichment factors showed no contamination or enrichment for most of the heavy metals studied except for Cd, which showed moderate contamination and significant enrichment at Mona, KwaZulu-Natal. Principal component and cluster analyses revealed that As, Cd, Fe, and Ni in the soil came from the same source, whilst Cu, Pb, and Zn in the soil were from a common origin. Correlation analysis showed significantly positive correlation between heavy metals As, Cd, Fe, and Ni in the soil, as well as between Cu, Pb, and Zn, confirming the metals' common origin. Concentrations of metals in plants and soil were influenced by site, but the availability and uptake of the metals solely depended on the plant's inherent controls.

Impact of mechanical mowing and chemical treatment on phytosociological, pedochemical and biological parameters in roadside soils and vegetation.

Many chemical and non-chemical strategies have been applied to control weeds in agricultural and industrial areas. Knowledge regarding the effects of these methods on roadside vegetation is still poor. A 2-year field experiment was performed along a road located near Livorno (Tuscany, central Italy). Eight plots/strips were identified, of which four were subjected to periodical mechanical mowing and the remaining four were treated with a chemical herbicide based on glyphosate (the producer's recommended rates were used for the selective control of broad-leaved weeds). Our results clearly showed that roadside soil and vegetation are a significant reservoir of anthropogenic activities which have a strong negative effect on several phytosociological, pedochemical and biological parameters. Compared with conventional mechanical mowing, chemical treatment induced (i) a significant increase in organic matter in the upper plot layers (+18%), and (ii) a marked reduction in weed height throughout the entire period of the experiment. Irrespectively of the kind of treatment, no significance differences were detected in terms of (i) biological quality of soil (the abundance and diversity of arthropod communities did not change), and (ii) plant elemental content (bulk concentrations of analysed trace elements had a good fit within ranges of occurrence in the "reference plant"). The glyphosate partially controlled broad-leaved weeds and this moderate efficacy is dependent upon the season/time of application. In conclusion, the rational and sustainable use of chemical herbicides may be a useful tool for the management of roadside vegetation.

Trace Elements Speciation of Submicron Particulate Matter (PM1) Collected in the Surroundings of Power Plants.

This study reports the concentrations of PM1 trace elements (As, Cd, Co, Cr, Hg, Mn, Ni, Pb, Sb and Se) content in highly mobile (F1), mobile (F2), less mobile (F3) and not mobile (F4) fractions in samples that were collected in the surroundings of power plants in southern Poland. It also reports source identification by enrichment factors (EF) and a principal component analysis (PCA). There is limited availability of scientific data concerning the chemical composition of dust, including fractionation analyses of trace elements, in the surroundings of power plants. The present study offers important results in order to fill this data gap. The data collected in this study can be utilized to validate air quality models in this rapidly developing area. They are also crucial for comparisons with datasets from similar areas all over the world. Moreover, the identification of the bioavailability of selected carcinogenic and toxic elements in the future might be used as output data for potential biological and population research on risk assessment. This is important in the context of air pollution being hazardous to human health.

Assessment of the vertical distribution of natural radionuclides in a mineralized uranium area in south-west Spain.

Low-level alpha spectrometry techniques using semiconductor detectors (PIPS) and liquid scintillation (LKB Quantulus 1220™) were used to determine the activity concentration of (238)U, (234)U, (230)Th, (226)Ra, (232)Th, and (210)Pb in soil samples. The soils were collected from an old disused uranium mine located in southwest Spain. The soils were sampled from areas with different levels of influence from the installation and hence had different levels of contamination. The vertical profiles of the soils (down to 40 cm depth) were studied in order to evaluate the vertical distribution of the natural radionuclides. To determine the origin of these natural radionuclides the Enrichment Factor was used. Also, study of the activity ratios between radionuclides belonging to the same radioactive series allowed us to assess the different types of behaviors of the radionuclides involved. The vertical profiles for the radionuclide members of the (238)U series were different at each sampling point, depending on the level of influence of the installation. However, the profiles of each point were similar for the long-lived radionuclides of the (238)U series ((238)U, (234)U, (230)Th, and (226)Ra). Moreover, a major imbalance was observed between (210)Pb and (226)Ra in the surface layer, due to (222)Rn exhalation and the subsequent surface deposition of (210)Pb.