International Journal of Modern Chemistry
ISSN: 2165-0128 (online)Search Article(s) by:
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Current Issue: Vol. 10 No. 2or Keyword in Title:
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Table of Content for Vol. 10 No. 2, 2018

Theoretical Evaluation of Pyrazolo[3,4-d]pyrimidine-thiones Analogues as Corrosion Inhibitors for Carbon Steel in Hydrochloric Acid
OYEBAMIJI Abel Kolawole, LASISI Bukola Mary, OYEBAMIJI Esther Opeyemi, ADEGOKE Adesina Kayode, SEMIRE Banjo and ADELEKE Babatunde Benjamin
 PP. 138 - 153
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ABSTRACT: Quantum chemical calculations via B3LYP/6-31G(d,p) level was carried out on pyrazolo[3,4-d]pyrimidine-thiones derivatives and these were used as corrosion inhibitors. The calculated descriptors such as EHOMO and ELUMO energies, band-gap, dipole moment, chemical potential (??), chemical hardness (??) and global nucleophilicity (??) were reported. The descriptors were discussed in connection to the experimental inhibitory efficiency. The developed quantitative structure activity relationship (QSAR) model showed that three quantum chemical descriptors (dipole moment, solvation energy and lipophilicity) perfectly describe the inhibitory efficiency of pyrazolo[3,4-d]pyrimidine-thiones derivatives.

Bioavailability and Plants Uptake of Selected Heavy Metals (Pb, Zn, Cr, Cd, Ni, As and Hg) in Akwana Mining Sites and Environs, Wukari, Taraba State. Nigeria
B. N. Hikon, G. O. Egah, G. S. Ngantem, and D. D Bwede
 PP. 154 - 171
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ABSTRACT: The concentration of heavy metals determined were within the maximum permissible limits of soil except for Arsenic in the mining site that is slightly above the permissible limits (0.21mg/kg). This could be attributed to the mining activities, transport mechanism, agricultural activities and atmospheric depositions on the site. The percentage bioavailability of all the metals analyzed were higher than 50% and above in all the sites with the exception of Cr (49.50%) in the control site. This indicates that the metals are mobile and hence bioavailable to plants. From the results of this analyses, there is a strong positive correlation (?????0.93) between the plants and soil obtained from the mining sites, also a strong positive correlation between the maize grains obtained from the mining and control sites (????? 0.84) and between the maize grains and soil obtained from the control site (?????0.61). This indicates that as the concentration of the heavy metals increases in soil the more the rate at which plants absorb and store these metals. The transfer factors (tf) for the metal in the soil obtained from the mining site were significantly different from those for control site and according to the type of plants. The highest transfer factor values are 0.171; 0.097, 0.161; 0.102, 0.032; 0.029 and 0.096; 0.054 for Zn, Cd, As and Hg in the maize grains obtained from the mining and control site, though less than unity, (this implies that the concentrations of heavy metals in plants are less than the concentration in soils) but the concentration of Pb, Cd, As and Hg in maize grains grown in the mining site were found to be higher and slightly above the permissible limit (0.01, 0.01, 0.01 and 0.001mg/kg).

Photocatalytic Activity of Nano Modified ZnO
S. A. El-Hakam, H. Z. El-Shenawy, A. G. Abd-El-Hameed, Z. A. El-Samia
 PP. 172 - 184
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ABSTRACT: In this work, ZnO photocatalyst and ZnO with different percentage of MCM-41 (1 wt. %, 3 wt. %, 5 wt. % and 8wt. %MCM-41) was synthesized by precipitation method. The photocatalytic activity of ZnO loaded MCM-41 was studied by the degradation of methylene blue in presence of UV/visible mercury lamp. The effects of preparation conditions such as MCM-41 weight percentage of MCM-41/ZnO nanocomposites and calcination temperature on the photocatalytic activity of % MCM-41/ZnO nanocomposites were examined. In addition to the influences of UV light irradiation time, pH of dye solution, dye initial concentration and % MCM-41/ZnO amount as well as organic dyes on the photocatalytic degradation were also investigated. Kinetic study indicates that the photocatalytic degradation of methylene blue by MCM-41/ZnO nanocomposites is pseudo-first order reaction.

Preparation, Characterization and Potentiometric Studies on N-P-Tolylacrylamide (TAA)
L.A. Elatwy
 PP. 185 - 194
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ABSTRACT: N-P-Tolylacrylamide (PTAA) was prepared and characterized using different spectroscopic techniques. Four different compositions of copolymers of N-P-Tolylacrylamide (TAA) with methyl methacrylate (MMA) covering the entire composition range were prepared and characterized. The reactivity ratios of copolymerization were determined using 1H-NMR techniques. The proton-ligand dissociation constants of N-P-Tolylacrylamide (PTAA) and its metal stability constants with (Mn2+, Co2+, Ni2+ and Cu2+) have been determined potentiometrically in monomeric and polymeric forms using 2,2"-azobisisobutyronitrile as initiator. The potentiometric studies were carried out in 0.1 (KCl) and 10 % (by volume) methanol-water mixture. The effect of temperature was studied at (298, 308 and 318 K) and the corresponding thermodynamic parameters (??G, ??H and ??S) were derived and discussed. The dissociation process is non-spontaneous, endothermic and entropically unfavorable. The formation of the metal complexes has been found to be spontaneous, endothermic and entropically favorable.

Adsorption, Equilibrium and Kinetic Studies on the Removal of Methyl Orange Dye from Aqueous Solution by Using of Copper Metal Organic Framework (Cu-BDC)
Reda S. Salama, Sohier A. El-Hakam, Salem. E. Samra, Shady M. El-Dafrawy and Awad I. Ahmed
 PP. 195 - 207
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ABSTRACT: Metal organic framework (MOF) materials that are based on cupper -benzenedicarboxylates was prepared by solvothermal treatment and then characterized by XRD, TEM, SEM and FT-IR. Cu-BDC was applied to the adsorption of methyl orange (MO) from aqueous solution. It was shown that by increasing pH value of the methyl orange solution the adsorbed amounts of MO reduced, which reveals that the mechanism may be the charge interactions between the adsorbents and methyl orange dye. Adsorption isotherms and kinetics were determined from the experimental data and the results displayed that Langmuir adsorption isotherm and pseudo 2nd order kinetic model matched well for the adsorption of MO onto Cu-BDC.

Kinetics and Mechanism of the Oxidation of Orange II by Bromate Ion in Aqueous Hydrochloric Acid Medium
B. Myek, S. O. Idris, A. D. Onu and M. K. Yakubu
 PP. 208 - 215
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ABSTRACT: The kinetics of the oxidation of orange II here and thereafter referred to as OII- by BrO3- was studied in aqueous hydrochloric acid medium at an ionic strength of reaction medium, I = 0.50 mol dm-3 (NaCl), [H+] = 5.0 x 10-2mol dm-3 (HCl) and T = 21 ??? 1??C. The redox reaction displayed a stoichiometry of 2:1. The second order rate constant increases with increase in acid concentration. The rates of reaction displayed a positive salt effect. Added cations and anions inhibited the reaction rates. Results of the Michaelis ??? Menten plot gave no evidence of intermediate complex formation during the course of the reaction. Based on the results obtained, the outersphere mechanism is proposed for the reaction.

Synthesis, Characterization and Anti-biological Activities of Colloidal Copper Nanoparticles Stabilized by Cationic Thiol Polyurethane Surfactants
Ibrahim A. Sabbah, Mohamed. F. Zaky, Mostafa E. Hendawy, Nabel A. Negm
 PP. 216 - 232
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ABSTRACT: Metal nanoparticles have attracted considerable interest particularly because of the size dependence of physical and chemical properties and its enormous technological potential. Among different metal nanoparticles, copper nanoparticles have attracted great attention because copper is one of the most key metals in new technology. Chemical methods are used to synthesize copper nanoparticles. In this paper, the new cationic Thiol polyurethane surfactants with different alkyl chain length were synthesized (PQ10, PQ14 and PQ18). The chemical structure of the synthesized surfactants was confirmed using infra-red spectroscopy (IR) and proton nuclear magnetic resonance spectroscopy (1H NMR). Copper nanoparticles colloidal solution of 40???80 nm diameters was prepared using sodium borohydride in aqueous solution at room temperature as reducing agent. The nanostructure of the synthesized surfactant with copper nanoparticles with diameters ranging from 31.5 to 10.3 nm was prepared and characterized using ultra violet spectrophotometer (UV), infra-red spectroscopy (IR) and transmission electron microscope (TEM). The results declare formation and stabilization of copper nanoparticle using synthesized cationic surfactants. Antimicrobial activity of the synthesized cationic surfactants and their nanostructure with copper nanoparticles were evaluated against pathogenic bacteria and fungi. The antimicrobial activity showed the enhancement in the antimicrobial activity of the synthesized cationic surfactants in the nanostructures form.

Electrochemical Study for Effect of Gliclazide as a Corrosion Inhibitor of the Carbon Steel in Sulfuric Acid Medium by Applied Potentiondynamic and Evans Techniques
Adel H. Ali
 PP. 233 - 255
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ABSTRACT: This paper is to study a possibility of using pharmaceutical drug compound like N-(hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl)-4-methylbenzenesulfonamide as corrosion inhibitor that can have a decisive effect of decreasing on metallic corrosion rate and adsorbed on the metal surface by using potentiodynamic polarization and Evans techniques. In this regard, we simultaneously present an overview on gliclazide compound performance, as corrosion inhibitor in 10% ethanol, 0.5N H2SO4, in mixed solution (10 % ethanol, 0.5N H2SO4) and the mixed solution with presence different concentration of drug. The potentiodynamic polarization and Evans technique are studied the C-steel in different medium to clarify the effect of media on the corrosion processes, the effect of polarization on the orientation of inhibitor molecule and discussed the mechanism of the adsorption processes on the polarized metal surface, i.e. the inhibition cathodicaly or anodicaly.

Water Quality Index (WQI) in the Assessment of Lake Tinishu Abaya Water for the Suitability of Drinking Purpose
Yirga Enawga, Brook Lemma
 PP. 256 - 267
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ABSTRACT: Water Quality Index (WQI) of Lake Tinishu Abaya was determined using Weight Arithmetic WQI method to assess the suitability of the lake water for drinking purposes as per WHO prescribed guidelines. The study was carried out on monthly basis from January to December 2016 from two pre-defined sampling sites (open water and offshore). All the in-situ and laboratory measurements of the physical and chemical parameters were measured using the standardized method. The WQI of the study lake was established from nine physicochemical parameters (pH, DO, Conductivity, Turbidity, Total alkalinity, TSS, Nitrate, Total Phosphate, and Temperature). It was observed from the results that the average value of WQI was to be 188.68??54.12 (90.92-249.34) and 222.64??69.38 (116.91-313.45) at the open water and offshore stations, respectively. As per WHO recommended standard and Weight Arithmetic WQI method of classification, the results of WQI in this study lake given strongly suggest that the water of Lake Tinishu Abaya was unsuitable for drinking purposes at both stations throughout the study year. Thus, it needs chemical as well as biological treatment for the lake water in order to be used for drinking purposes. The continuous monitoring of the lake water is required to protect the water in the future from any possible contamination due to growing agricultural practices near the shore area of the lake.

Adsorption Activity of Graphene oxide /Aluminum-based MOF for Removal of Congo Red Azodye
Awad. I. Ahmed, W.S. Abo El-Yazeed, H.Z. El-Shenawy, B.N. Mansour
 PP. 268 - 289
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ABSTRACT: Congo Red (CR) azodye adsorption from aquatic solution using MIL-101 Al and graphene oxide based on MIL-101(Al) by different weight percentage was studied. The hydrothermal method applied for preparation of MIL-101 and different wt% GO/MIL-101 catalysts. The prepared catalysts were described by XRD, FT-IR, and TEM. Batch experiments were studied for adsorption kinetics and isotherms. Experimental data obtained indicated that the process of adsorption was extremely dependent on contact time, the concentration of dye and adsorbent dosage. The prepared nanocataysts (1, 3 and 5 wt% GO/MIL-101(Al) samples) indicated preferred outcomes in adsorption over pure MIL-101 until 10 wt% GO/MIL-101(Al). Adsorption equilibrium of 1 wt% GO/MIL-101(Al) was reached equilibrium within 2 hrs, and the amount of adsorption achieved up to 96%. The dynamic adsorption set up by a pseudo-second-order kinetic model, and Langmuir isotherm model was best model applicable for calculating the equilibrium parameters.