Use of molecular and In Silico bioinformatic tools to investigate pesticide binding to insect (Lepidoptera) phenoloxidases (PO): Insights to toxicological aspects

In the present work, the promising bioinformatic tools, based on structure–affinity analysis, allowed to screen several pesticides supposed to bind to the insect immune Phenoloxidases (PO). First, the binding of aminoparathion, a reference compound, to the PO was structurally (3D) validated in accordance with previous reports. Second, using the same docking conditions, a range of pesticides was checked for their binding ability to the crystal 3D structure (PDB 3HSS) of the insect Manduca sexta (Lepidoptera) PO. The obtained data showed that many of the tested pesticides were able to bind, in silico, to M. sexta PO. The combination of in vitro (chemical and biochemical) and in silico (automated docking) approaches was found advantageous to elucidate the behavior of phenolic pesticides as substrate-analogues when binding to the active site of insect POs. Our findings emphasize new ecotoxicological aspects of pesticide residues in the agro-chemical and environmental circles.     

Binding of aluminum to human serum transferrin,human serum albumin and rat serum proteins

Abstract

Human serum transferrin (HSTF), human serum albumin (HSA) and rat serum were compared for their interaction with AlCl₃ , in a Tris‐HCl buffer solutions (pH 7.4). The AlCl₃ was tested in series of concentrations in the range of 50 μM up to 500 μM . HSTF, HSA and their 1:1 mixture and rat serum were incubated at 37°C with series of AlCl₃ concentrations. The protein profile of the incubated solutions were compared to control using SDS‐PAGE and FPLC tests. The results indicated that HSTF was more specifically responsive to AlCl₃showing a characteristic increase in its UV absorption, peak and area dimensions. Simultaneously, HSA was less affected, but it showed a significant shift with an increase in molecular weight accompanied with a change in its profile. The respective bands of transferrin and albumin in rat serum behaved similarly. The SDS‐PAGE and FPLC data coincided and confirmed the preferential affinity of HSTF to bind with Al³⁺ . These results support the suggestion of using HSTF for monitoring levels of Al³⁺ in human blood samples of exposed population. The importance of further developing such a biomarker is the increased demand for early detection of the hazardous levels of Al³⁺ in relation to its long term neurotoxic adverse effects.     

Microfiltration of pretreated sanitary landfill leachate

A laboratory study using a bench scale model of two units operation involving coagulation process with Moringa oleifera seeds extract as a coagulant and filtration process using hollow fibre microfiltration membrane, was adopted to treat Air Hitam Sanitary Landfill leachate in Puchong, Malaysia. The performance of the microfiltration membrane in pretreated sanitary landfill leachate treatment was investigated through a continuous process. The leachate sample was passed through conventional coagulation process before being filtered through a hollow fibre microfiltration membrane of 0.1 μm surface pores. The hollow fibre microfiltration membrane decreased the turbidity, colour, total suspended solids, total dissolved solids and volatile suspended solids in the leachate by 98.30, 90.30, 99.63, 14.71 and 20%, respectively. The results showed that microfiltration is capable of removing high percentage of solids from leachate and might be considered as a polishing stage after on-site biological treatment for sanitary landfill leachate.     

Heavy-metal distribution and risk assessment of sediment and fish from El-Mex Bay, Alexandria, Egypt

Heavy metals are increasingly being released into natural waters from geological and anthropogenic sources. The distribution of several heavy metals (Cr, Cu, Cd, Pb, Zn, and Hg) was investigated in muscle, gill, and liver in two different fish species seasonally collected in El-Mex Bay (autumn 2004-summer 2005). In order to evaluate the pollution status of the Bay, the concentrations of the selected metals in the labile and total fractions were analysed in sediment samples collected from eight sites in El-Mex Bay during autumn 2004. Also, the Index of Geoaccumulation (I_geo) for the sediment was estimated. The total and labile fractions of the selected metals in sediment samples were 15.2 and 62.8 μg g^-1 dw for Cu, 1.8 and 5.0 μg g^-1 dw for Cd, 79.1 and 130.3 μg g^-1 dw for Zn, 0.2 and 1.2 μg g^-1 dw for Hg, 35.8 and 93.0 μg g^-1 dw for Pb, and 13.9 and 31.0 μg g^-1 dw for Cr. The concentrations of all metals were lower in flesh than those recorded in liver and gill due to their physiological roles. The metal pollution index for fish was calculated. Health hazard calculations for the contaminated sediments and fish consumption were calculated to evaluate the effect of pollution on health.     

The Relationship Between Iodine, Chlorinity, Ph, Reactive Phosphate, Nitrite and Organic Matter in the Coastal Water of Alexandria

Water samples were taken from 12 stations at El-Dikheila Harbour, El-Mex Bay, Western Harbour, Qayet Bey outfall, Eastern Harbour, El-Ibrahemiya, Gleem, Sidi Bishr and Mandara, during January, April, August and November 1995. the area lies between latitude 31˚ 8' and 31˚ 17' North and longitude 29˚ 47' and 30˚ East. the annual mean of chlorinity (11.69-20.5%₀), pH (7.9-8.3), reactive phosphate (0.31-2.24 μM), nitrite (0.18-1.98 μM), oxidizable organic matter (1.97-8.95 mgO₂ 1^-1), iodide (21.14-46.74 μg 1^-1) and iodate (4.61-2.04 μg 1^-1) were measured. Iodide content in water is three times higher than iodate. Iodide is positively correlated with chlorinity (r=0.65) and iodate (r=0.45), while it is negatively correlated with nitrite (r= -0.72), oxidizable organic matter (r= -0.55) and pH (r= -0.4).     

Microbial degradation of hydrocarbons in Ismailia canal water

The biodegradation of hydrocarbons was performed in refinery wastewater obtained by natural microbial flora in Ismailia canal water. About 87% of hydrocarbons were degraded after 9 days under simulated natural conditions. It was found that the addition of fuel oil to the canal water, which already contained significant amounts of refinery wastewater, retarded biological degradation. Percentage of degradation was found to be 67%. This increase in the hydrocarbons concentration affects dramatically on the generation rate of microorganisms present naturally in canal water.     

Phosphorus in Sediments of Lake Edku, Egypt. The Influence of Chemical and Grain Size Parameters

Lake Edku is one of the Nile Delta shallow brackish water coastal lagoons with communications with the southeastern Mediterranean.

Sediment samples were recovered from the top 10 cm of the lake bottom to study principally their total, inorganic and organic phosphorus. Related sediment parameters such as particle size, organic carbon, carbonate and iron contents were also studied in detail.

It is shown that the lake sediments are generally a sand-silt-clay mud enriched with carbonate (11.4-42%), organic carbon (0.9-11.4%) and iron (1.6-5.6%).

The total phosphorus content in these sediments is 503-1329 μg/g, inorganic phosphorus, 468-954 μg/g and organic phosphorus, 35-526 μg/g.     

Visible–light driven photocatalytic degradation of bisphenol-A using ultrasonically synthesized polypyrrole/K-birnessite nanohybrids: Experimental and DFT studies

Although manganese oxides are known for their semiconductor characteristics, the photocatalytic performance of conducting polymer intercalated K-Birnessite(K-Bi) has not been explored till date. With the view to design a visible light driven organic–inorganic hybrid photocatalyst for rapid degradation of Bisphenol A(BPA), the present work reports the ultrasound-assisted green synthesis of K-Bi/polypyrrole(Ppy) nanohybrids. The loading of Ppy in K-Bi was confirmed by thermogravimetric analysis while the formation of organic–inorganic hybrid was confirmed by infrared spectroscopy. K-Bi revealed a band gap of 2.8 e V while for the nanohybrids it was found to be ranging between 2.4 and 1.6 e V. X-ray diffraction studies confirmed partial intercalation of Ppy chains in the inter-layer space of K-Bi. High resolution transmission electron microscopy and scanning electron microscopy studies showed mixed morphology of K-Birnessite/Ppy nanohybrids. Rapid degradation of BPA was observed under visible irradiation in presence of K-Bi/Ppy nanohybrids and almost90% degradation of 20 mg/L BPA solution was achieved within 120 min. The degradation was found to follow pseudo-first order kinetics and the degraded fragments were identified using liquid chromatography-mass spectrometry. Degradation pathway was proposed based on density-functional theory calculations of fukui index predicting the radical easyattacking(f0) and(f-) sites in BPA.     

Field Testing the Riparian Ecosystem Management Model on a Riparian Buffer in the North Carolina Upper Coastal Plain

The riparian ecosystem management model (REMM) was field tested using five years (2005‐2009) of measured hydrologic and water quality data on a riparian buffer located in the Tar‐Pamlico River Basin, North Carolina. The buffer site received NO₃‐N loading from an agricultural field that was fertilized with inorganic fertilizer. Field results showed the buffer reduced groundwater NO₃‐N concentration moving to the stream over a five‐year period. REMM was calibrated hydrologically using daily field‐measured water table depths (WTDs), and with monthly NO₃‐N concentrations in groundwater wells. Results showed simulated WTDs and NO₃‐N concentrations in good agreement with measured values. The mean absolute error and Willmott's index of agreement for WTDs varied from 13‐45 cm and 0.72‐0.92, respectively, while the root mean square error and Willmott's index of agreement for NO₃‐N concentrations ranged from 1.04‐5.92 mg/l and 0.1‐0.86, respectively, over the five‐year period. REMM predicted plant nitrogen (N) uptake and denitrification were within ranges reported in other riparian buffer field studies. The calibrated and validated REMM was used to simulate 33 years of buffer performance at the site. Results showed that on average the buffer reduced NO₃‐N concentrations from 12 mg/l at the field edge to 0.7 mg/l at the stream edge over the simulation period, while the total N and NO₃‐N load reductions from the field edge to the stream were 77 and 82%, respectively.     

Effect of grazing on plant attributes and hydrological properties in the sloping lands of the East African highlands

Extending livestock grazing to the steep slopes has led to unstable grazing systems in the East African Highlands, and new solutions and approaches are needed to ameliorate the current situation. This work was aimed at studying the effect of livestock grazing on plant attributes and hydrological properties. The study was conducted from 1996 to 2000 at the International Livestock Research Institute at Debre Ziet Research Station. Two sites were selected: one at 0–4% slope, and the other at 4–8% slope. The treatments were: (1) no grazing (control); (2) light grazing, 0.6 animal unit months per hectare (aum/ha); (3) moderate grazing, 1.8 aum/ha; (4) heavy grazing, 3.0 aum/ha; (5) very heavy grazing, 4.2 aum/ha; (6) initially plowed and continuously very heavily grazed, 4.2 aum/ha. The result showed that species richness, infiltration rate, bare ground, and soil loss significantly varied with grazing pressure. Species richness was higher in grazed plots compared to nongrazed plots. Biomass yield improved on heavily grazed plots as cow dung accumulated over years. Cynodon dactylon plant species persisted with livestock grazing pressure in both sites. Infiltration rate improved and soil erosion declined in all treatments after the first year.