The presence of organic pollutants in the environment is of major concern because of their toxicity, bio-accumulating tendency, threat to human life and the environment. It is a well-known fact that, these pollutants can damage nerves, liver, and bones and could also block functional groups of essential enzymes. Conventional methods for removing dissolved pollutants include chemical precipitation, chemical oxidation or reduction, filtration, ion-exchange, electrochemical treatment, application of membrane technology, evaporation recovery and biological treatment. Although all the pollutant treatment techniques can be employed, they have their inherent advantages and limitations. Among all these methods, adsorption process is considered better than other methods because of convenience, easy operation and simplicity of design. A fundamentally important characteristic of good adsorbents is their high porosity and consequent larger surface area with more specific adsorption sites. This paper presents a review of adsorption of different pollutants using activated carbon prepared from fly ash sources and the attendant environmental implications. Also, the ways of overcoming barriers to fly ash utilization together with regeneration studies are also discussed.

This work used quantum chemical method via DFT to calculate molecular descriptors for the development of QSAR model to predict bioactivity (IC 50 -50% inhibition concentration) of the selected 1, 2, 3-triazole-pyrimidine derivatives against receptor (human gastric cancer cell line, MGC-803). The selected molecular parameters were obtained by B3LYP/6-31G**. QSAR model linked the molecular parameters of the studied compounds to their cytotoxicity and reproduced their observed bioactivities against MGC-803. The calculated IC 50 tailored the observed IC 50 and greater than standard compound, 5-fluorouracil, suggesting that the developed QSAR model reproduced the observed bioactivity. Statistical analyses (including R 2 , CV. R 2 and R 2 a gave 0.950, 0.970 and 0.844 respectively) revealed a very good fitness. Molecular docking studies revealed the hydrogen bonding with the amino acid residues in the binding site, as well as ligand conformations which are essential feature for ligandreceptor interactions. Therefore, the methods used in this study are veritable tools that can be employed in pharmacological and medicinal chemistry researches in designing better drugs with improve potency.

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