3D QSAR studies of dioxins and dioxin-like compounds using CoMFA and CoMSIA

In the present study we have performed comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) on structurally diverse ligands of Ah (dioxin) receptor to explore the physico-chemical requirements for binding. All CoMFA and CoMSIA models have given q(2) value of more than 0.5 and r(2) value of more than 0.84. The predictive ability of the models was validated by an external test set, which gave satisfactory predictive r(2) values. Best predictions were obtained with CoMFA model of combined modified training set (q(2) = 0.631, r(2) = 0.900), giving predictive residual value = 0.02 log unit for the test compound. Addition of CoMSIA study has elucidated the role of hydrophobicity and hydrogen bonding along with the effect of steric and electrostatic properties revealed by CoMFA. We have suggested a model comprises of four structurally different compounds, which offers a good predictability for various ligands. Our QSAR model is consistent with all previously established QSAR models with less structurally diverse ligands.     

A behavior based safety approach at a Kuwait research institution

INTRODUCTION: Behavior based safety (BBS) initiatives are the current trend toward improving safety performance. METHOD: This study outlines the framework of the BBS process and summarizes several behavioral safety approaches to accident prevention. RESULTS: Although most of the published research has focused on the improvement of safe behavior in industry, this study is the first to apply the current approach of behavior based safety in a research/educational setting. An experiment conducted at a research institution demonstrated the effectiveness of a well-designed behavior based safety process. A follow-up study indicated that the BBS produced a lasting effect for the experimental group. IMPACT ON INDUSTRY: Results from this study can be the driving force to implement behavior-based safety processes into educational, research, and training organizations.     

Occupational risk assessment in the construction industry in Iran

Occupational accidents in the construction industry are more common compared with other fields and these accidents are more severe compared with the global average in developing countries, especially in Iran. Studies which lead to the source of these accidents and suggest solutions for them are therefore valuable. In this study a combination of the failure mode and effects analysis method and fuzzy theory is used as a semi-qualitative–quantitative method for analyzing risks and failure modes. The main causes of occupational accidents in this field were identified and analyzed based on three factors; severity, detection and occurrence. Based on whether the risks are high or low priority, modifying actions were suggested to reduce the occupational risks. Finally, the results showed that high priority risks had a 40% decrease due to these actions.     

Recent Progress in Silane Coupling Agent with Its Emerging Applications

Journal of Polymers and the Environment - This paper presents the effects of silane coupling agent, which includes interfacial adhesive strength, water treatment, polymer composites and coatings...     

Trace metals accumulation in soil irrigated with polluted water and assessment of human health risk from vegetable consumption in Bangladesh

Trace metals accumulation in soil irrigated with polluted water and human health risk from vegetable consumption was assessed based on the data available in the literature on metals pollution of water, soil, sediment and vegetables from the cites of Bangladesh. The quantitative data on metal concentrations, their contamination levels and their pollution sources have not been systematically gathered and studied so far. The data on metal concentrations, sources, contamination levels, sample collection and analytical tools used were collected, compared and discussed. The USEPA-recommended method for health risk assessment was used to estimate human risk from vegetable consumption. Concentrations of metals in water were highly variable, and the mean concentrations of Cd, Cr, Cu and As in water were found to be higher than the FAO irrigation water quality standard. In most cases, mean concentrations of metals in soil were higher than the Bangladesh background value. Based on geoaccumulation index (I _geo) values, soils of Dhaka city are considered as highly contaminated. The I _geo shows Cd, As, Cu, Ni, Pb and Cr contamination of agricultural soils and sediments of the cities all over the Bangladesh. Polluted water irrigation and agrochemicals are identified as dominant sources of metals in agricultural soils. Vegetable contamination by metals poses both non-carcinogenic and carcinogenic risks to the public. Based on the results of the pollution and health risk assessments, Cd, As, Cr, Cu, Pb and Ni are identified as the priority control metals and the Dhaka city is recommended as the priority control city. This study provides quantitative evidence demonstrating the critical need for strengthened wastewater discharge regulations in order to protect residents from heavy metal discharges into the environment.     

Vehicle pollution toxicity induced changes in physiology,defence system and biochemical characteristics of Calotropis procera L.

The present study aims to examine the physiological, biochemical and defence system responses of Calotropis procera to vehicle exhaust pollution. We selected various sample sites along two major roads in the Punjab province of Pakistan, i.e. Faisalabad to Sargodha road (FSR) and Pindi Bhattian to Lillah motorway (M-2). Traffic density at all sites and plant responses (i.e. chlorophyll a, chlorophyll b, total chlorophyll and carotenoid contents, transpiration rate, stomatal conductance, photosynthetic rate, sub-stomatal CO₂ concentration, water use efficiency, total free amino acids, total soluble proteins and total antioxidant activity) were measured. Levels of carbon (C) and nitrogen (N) and four metals of most possible concern – i.e. lead (Pb), zinc (Zn), cadmium (Cd) and nickel (Ni) – were also examined in all samples. We found their considerable deposition in all the samples along roads. Inhibitory effects of roadside pollutants were noted for photosynthetic pigments, stomatal conductance, transpiration rate, photosynthetic rate and total soluble proteins, whereas stimulatory effects were noted for sub-stomatal CO₂ concentration, free amino acids and total antioxidant activity. The stimulation of antioxidant enzymes activity revealed stress and mitigation of reactive oxygen species. The present study clearly signifies that C. procera has great potential to endure the stress caused by roadside pollutants.     

Fly ash leachate induces oxidative stress in freshwater fish Channa punctata (Bloch)

Oxidative stress inducing potential of fly ash leachate (FAL) was studied in a freshwater fish, Channa punctata (Bloch). Fish were exposed to fly ash leachate for 24 h and lipid peroxidation (LPO) was studied as a marker of oxidative stress. Catalase (CAT), glutathione S-transferase (GST) activities and levels of reduced glutathione (GSH) were also estimated in the exposed fish. FAL (1 ml/l) induced LPO in all the organs and most prominent response was in the gill. It also caused induction of enzymes and glutathione. Liver showed highest level of induction of enzyme activities. The results of this study demonstrate that fly ash constituents have potential to induce oxidative stress in fish and gills are the most vulnerable organs. It is also suggested that in case of exposure to FAL, along with LPO antioxidant defense is also activated to counteract the reactive oxygen species (ROS) at least partly in the initial stages of exposure.     

Characterization of Environmentally Friendly Polymers by Inverse Gas Chromatography: I Amylopectin

Amylopectin, as a potato starch based polymer, with a molecular weight of six million gram/mol was characterized using the Inverse Gas Chromatography Method (IGC). DSC method was also used to measure the glass and melting temperatures. Both DSC and IGC agreed well on a T_g of 105°C and T_m of 160–166°C. Nineteen solutes (solvents) were injected onto a chromatographic column containing amylopectin. These solutes revealed the interaction of alkanes with AP, and the wettability and water intake of AP. Alkanes showed exothermic values of interaction parameters which were increased as the temperature increased and as the number of carbons in the alkane series decreased. Retention diagrams of these solutes in a temperature range of 80–200°C revealed two zones, crystalline and amorphous. T_g and T_m were measured using these zones which complimented the DSC values. The two zones were used to calculate the degree of crystallinity below the melting temperature which ranged from 85% at 104°C to 0% at 161°C. The dispersive component of the surface energy of amylopectin was measured using alkanes which ranged from 25.35 mJ/m² at 80°C to 8.47 mJ/m² at 200°C. This is attributed to the weak crystalline surface of AP at 80°C and when the surface melted at 160°C the surface energy decreased due to the thermal expansion of the surface.     

Ozonation of Procaine Penicillin G formulation effluent Part I: Process optimization and kinetics

Ozonation characteristics of synthetic Procaine Penicillin G (PPG) formulation effluent were investigated in a semi-batch ozone reactor at different pH (3, 7 and 12), ozone feed rates (600-2600 mg h-1) and COD values (200-600 mg l-1). Ozonation of aqueous PPG effluent resulted in 37 (82)% COD removal after 60 (120) min ozonation when the reaction pH was kept constant at pH=7.900 mg l-1 (corresponding to 50% of the total introduced) ozone was absorbed during a reaction period of 1 h. The effects of increasing the applied ozone dose and the initial COD on the COD abatement rates of PPG effluent were also studied. Results have indicated that increasing the ozone dose and decreasing the COD content both have positive effects on COD removal rates. The significant contribution of the free radical (.OH) reaction pathway to PPG ozonation could be traced using tert-butyl alcohol as the .OH probe compound at varying concentrations. The bimolecular reaction rate constants for the direct reaction of PPG with ozone were found as 152 and 2404 M-1 h-1 at pH=3 and 7, respectively, using the gas phase ozone partial pressures determined from of the outlet gas stream analysis. It could be demonstrated that ozone decomposition to free radicals being triggered by increasing the pH from 3 to 7 is essential for the rate enhancement of PPG effluent ozonation.     

Cobalt and zinc removal from aqueous solution by chemically treated bentonite

Natural bentonite was treated by hydrochloric, nitric, and phosphoric acids followed by washing with sodium hydroxide in order to enhance its adsorption capacity. The sample that treated with hydrochloric acid followed by further treatment with NaOH showed the highest cation exchange capacity with a value of 51.20 meq/100 g. The zero-point of charge for this sample was found to be 4.50. Adsorption isotherms for both cobalt and zinc were fitted using Langmuir, Freundlich, and Redlich-Peterson and showed an adsorption capacity of 138.1 mg Co²⁺ and 202.6 mg Zn²⁺ per gram of treated sample.