Research Journal of Chemistry and Environment

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Synthesis, Anti-Inflammatory, Analgesic, Molecular Modeling and ADMET Studies of some Novel Diclofenac Derivatives containing Methionyl Moiety

Mohamed Hany M., Abdellattif Magda H., Elhenawy Ahmed A. and El-Gazzar M.A.

Page No. 1-10

The present work aimed to synthesize novel diclofenac derivatives containing an L-Methionine moiety. The structures of the synthesized compounds were established on the basis of spectral data and the B3LYP/6-311G* level with DFT theory quantum chemical calculation. The stereochemistry for the synthesized compound was also studied to determine the most stable stereoisomer form. The optimization geometry, frontier molecular orbitals (FMOs), thermodynamic parameters and global chemical reactivity were calculated to identify the reactivity of the compounds. The molecular electrostatic potentials (MEPs) were plotted to elucidate the interaction of the synthesized compounds with the receptor through investigation of the distribution of the negative and positive regions in these compounds. Nonlinear optical properties were discussed via 1st and 2nd hyper polarizabilities. Several compounds showed higher NLO properties than the reference metrical.

The synthesized compounds were docked into the active site of the cyclooxygenases (COX-2) to discover suitable inhibitors. The binding score of the tested compounds showed extensive interactions with the targets compared to the reference drug indicating that they may be suitable selective inhibitors against (COX-2). The tested compound exhibited no toxic effect in-silico toxicity, through calculated ADMET factors. The tested compound (6) showed significant reduction in the edema percentage value (38.92%) compared with the reference drugs. The ulcerogenic study for compound (6) showed no observed ulcerogenic effect, with higher safety and better therapeutic index than diclofenac.

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Degradation of Malachite Green using H3PO4 activated Ricinus Communis stem powder

Nirmala Devi V. and Makeswari M.

Page No. 11-16

In this study, a potential Ricinus Communis stem powder is activated with phosphoric acid (PRCS) which is used as a low-cost eco-friendly bio adsorbent and is characterized and investigated for the degradation of Malachite Green dye from an aqueous solution. The structural characterization of PRCS is done by SEM, EDX, FTIR and XRD. The removal efficiency of PRCS is investigated by performing both kinetic and isothermal studies in batch experiments. The maximum degradation efficiency for Malachite Green on PRCS is 76.58% at 120 minutes in pH 5 and PRCS dosage of 0.25g.

The adsorption data is well fitted with Langmuir isotherm and it gives monolayer adsorption capacity (Qm)of 17.69 mg/g. The correlation coefficient value indicates a well fit for monolayer Langmuir model (R2=0.9952). The qe value for pseudo first order kinetic model is in good agreement with experimental data.

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Optimization and Validation of an Extraction Method for the Analysis of Polycyclic Aromatic Hydrocarbons in Potato chips using gas chromatography-mass spectrometry

Rawash El-Shaimaa A., Mouhamed Gehad G., Souaya Eglal R. and El-Chaghaby Ghadir A.

Page No. 17-31

A rapid, precise and economic extraction method was optimized and validated for the simultaneous determination of polycyclic aromatic hydrocarbons (PAHs) from processed potato chips by using gas chromatography-mass spectrometry (GC-MS/MS). Two extraction techniques were chosen for comparing including ultra-sonication and Quechers extraction. A full factorial 2ᶾ design was performed in the present study in order to optimize the PAHs extraction conditions. In the full factorial design, three factors were studied at two levels for each extraction method. The response chosen for optimization was the relative recovery percentage of PAHs. Both extraction techniques meet the validation criteria of determining a) coefficients above 0.98 in all cases b) RSD (relative standard deviation) below 15% in all cases and c) a recovery percentage between 69% and 105%.

For the extraction of all the analytes, the extraction technique with the best relative recoveries was the ultra-sonication assisted extraction. Limit of detection (LOD), limit of quantification (LOQ) and correlation coefficients were found in the range of 0.017 to 0.46 μg/ml and 0.05 to 1.38 μg/ml and 0.97 to 0.99, respectively. The investigation of 23 local potato chips samples for the presence of PAHs showed the mean content of benzo[a]pyrene as 0.029 μg/ g which proves the need to evaluate effective measures to prevent more severe PAHs contamination in commercial potato chips in future.

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Investigating the extraction behaviour of lead from alkaline solution with Tri-butyl phosphate

Mojtaba Rasolizadeh, Asghar Azizi and Mohammad Karamoozian

Page No. 32-37

The extraction behaviour of lead (II) from sodium hydroxide leach solution using tributylphosphate (TBP) diluted in kerosene was investigated in a batch reactor. The results showed that although 70.23% lead was extracted from alkaline solution at an agitation rate of 500 rpm, the temperature of 40 °C, 1 mol/L TBP concentration, organic/aqueous phase ratio of 1 and extraction time of 20 min, lead extraction from alkaline leach solutions was difficult to perform because of the lead hydroxide precipitation in such environment. The apparent standard enthalpy (∆H= 5.88 ± 0.01 kJ/mol) demonstrated that Pb (II) extraction in the system investigated is endothermic. The number of the theoretical stages for this process were distinguished to be 3 stages on the basis of the McCabe-Thiele diagram.

The mixture of D2EHPA and Cyanex 272 with TBP was investigated on the extraction efficiency and the extraction rate using single TBP was higher than synergistic extraction system. In addition, the findings indicated that ~68% Pb (II) can be stripped from the TBP using 4 mol/L HCl solution at an aqueous/organic phase ratio of 4. It was also found that the lead extraction from alkaline leach solutions is difficult to carry out and may lead to incorrect results.

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Effects of Hydrogen Peroxide and Nitric Oxide on Antioxidant Enzyme Activities and Inner Hydrogen Peroxide contents of Pepper Callus Tissues under Salt Stress

Gökçen Baysal Furtana, Şeküre Şebnem Ellialtioğlu and Rukiye Tipirdamaz

Page No. 38-43

Salinity is a major abiotic stress that affects germination, growth, photosynthesis, water relation, nutrient imbalance, oxidative stress and yield. Adding some chemical compounds (salicylic acid, jasmonic acids, calcium, nitric oxide, hydrogen peroxide) to the plant’s growing media is one of the methods in prospect of being a solution for various biotic and abiotic stresses. In this research, the effects of hydrogen peroxide and nitric oxide on antioxidant enzyme activities and inner hydrogen peroxide contents of pepper callus tissues under salt stress were investigated. Hypocotyl explants from 4 weeks old pepper seedlings were cultured with 1:1 mg/L 2,4-D: kinetin to form callus. After 100 μM H2O2, 100 μM SNP (NO donor) and their combinations with 150 mM NaCl were applied for 48 hours.

Changes in antioxidant enzyme activities and inner hydrogen peroxide contents were examined in calluses. The antioxidant enzyme activities and inner hydrogen peroxide contents of pepper calli were increased under salt stress conditions. For the groups that H2O2 and NO are applied one by one or in combination, it is seen that antioxidant enzyme activities and inner hydrogen peroxide contents are usually decreased when compared with the only salt treated groups. As a result, it has been determined that hydrogen peroxide and nitric oxide, as a stress signal, have curative effects against the salt stress when applied even one by one or together.

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C18-CTA Composite Thin Film usage as an Extraction Sorbent for Caffeine Residue in Water Analysis

Zulkipli N.A., Loh S.H. and Khalik W.M.A.W.M.

Page No. 44-50

Research work that aimed to develop the optimal condition for caffeine residue extraction in water method was successfully carried out. C18 was impregnated with cellulose triacetate (CTA) by using a solution casting method to produce a thin film. Optimisation work was constructed based on a 24 full factorial central composite design that was subjected to the number of C18-CTA films, pH water sample, extraction time and stirring rate as the main parameters. The optimum condition suggested by the model was as follows; number of film (1 piece i.d. 66 mm), pH of water sample (9), stirring rate (200 rpm) and extraction time (30 minutes).

The generated model and 2-way interaction were significant at p<0.05. Analytical figure of merits i.e. linearity (r2 = 0.993), recovery (92.6-94.8%), repeatability (<3% RSD), detection limit (0.13 ng/ml) and quantification limit (0.45 ng/ml) were calculated during study. Analysis of real sample showed that the developed method was able to extract caffeine residue at low level concentration. The concentrations measured from two samples were recorded at 6.98 ng/ml and 18.23 ng/ml respectively.

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Statistical Modelling and Optimization of L-Asparaginase Production from Agro-Waste by Solid State Fermentation

Soni Manju, Bhange Vivek P., Kamble Sneha, Samatkar Nikita and Bhivgade Urvashi V.

Page No. 51-64

In recent era, L-Asparaginase (L-asparagine amido hydrolase, E.C. has been known for its potential as an anticancer agent. In search of a substrate which has potential of generating L-Asparaginase that shows less immunological effect on encounter with the patients, its production using Vidarbha region agro waste such as Soya Bean meal and Flaxseed oil cake as substrates by Escherichia coli by solid state fermentation is performed in the experiments. Optimization of different fermentation parameters such as incubation time, incubation temperature, substrate amount, moisture content, carbon source, metal ions, mixture of substrate, inoculum volume, pH, nitrogen source and its concentration are studied.

The maximum enzyme activity of 0.960 U/ml and 0.865 U/ml was obtained at 31°C and 37°C, with the moisture content of 40ml and 70ml for soya and flax respectively for 72 hrs. Sucrose (0.5%w/v) and ammonium sulphate (0.5%w/v) are found to be chief carbon and nitrogen source at pH of 6.1, 7.1, 6.9 for soya flax and mixed substrate respectively. Mixed substrate composition of 30% Soya, 70% Flax showed highest activity of 0.850 U/ml. Micronutrients KH2PO4 and CaCl2 showed maximum enzyme activity for soya bean meal and flax seed cake respectively. The screening of parameters is done using Plackett Burman method by Design Expert Software. Statistical analysis and modelling of L-Asparaginase production were performed using Box Behnken method to evaluate optimized parameters for maximum enzyme activity.

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Phytoremediation of carcinogenic diazo Congo Red dye by using Pistia stratiotes (water lettuce)

Mahajan Pooja and Kaushal Jyotsna

Page No. 65-73

Phytoremediation is becoming a promising alternative or complement process for the current dye removal methods from waste water. In present work, phytoremediation potential of a free-floating aquatic macrophytes Pistia stratiotes (P. stratiotes) was investigated for removal of Congo Red (CR) dye in its solution form. A series of experiments were performed with Pistia stratiotes plant to predict the effects of viable physiochemical parameters viz. initial dye concentration, number of plants, contact time, pH and temperature. Result showed that the phytoremediation of CR dye was favorable at temperature range 25-30°C and pH 5. The removal of dye was found to be increase with increase in number of initial dye concentration and contact time. Equilibrium condition was found to achieve after contact time of approximately 72 hours in all studied concentrations.

The reusability of plant was successful for 3 cycles in repeated batch experiments. In addition, kinetic modeling was applied to data obtained for different initial dye concentrations at regular time intervals. The result of kinetic modeling of experimental data was found to be well-suited to pseudo-second order kinetic model. Root surface characterization of Pistia plant was also done before and after removal of dye to interpret the interactions between dye and functional groups of plant roots.

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Adsorptive removal of methylene blue by low cost agricultural waste: Degla beida Dates Stones in a Fixed-bed dynamic column

Gherbia Abdelali, Hurel Charlotte, Chergui Abdelmalek, Yeddou Ahmed Réda, Selatnia Ammar and Nadjemi Boubekeur

Page No. 74-81

This study used an agricultural solid waste, Degla beida Dates Stones (DB) to produce adsorbent for methylene blue MB removal in a fixed bed column. The adsorbent surface functions were identified by Fourier transform infrared spectroscopy FTIR. The adsorption capacities were determined through Yoon-Nelson and Thomas models for different pH values and different flow rates in order to obtain the best adequacy of column adsorption data and to get the characteristic parameters of the fixed bed column.

Both models were found well suited to describe the adsorption phenomena of the adsorbents under dynamic conditions. The elution efficiency for methylene blue (MB) desorption from adsorbents (DB) and (NDB) was determined for 0.1 M HCl, the elution efficiency was more than 80% in the first cycle.

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Investigation of the radiation response characteristics of a new polystyrene leucomalachite green radiochromic film

Malav Shatrughan, Bera Anuradha, Tiwari Bajrang Lal and Vaijapurkar Shyam Govind

Page No. 82-85

Solvent casted thick polystyrene-leucomalachite green (LMG) films were investigated for their radiation response properties under the influence of 1.25 MeV gamma radiation. Effect of dose rate, irradiation temperature and humidity on the radiochromic response of these films during and after irradiation was studied and quantified using an optical spectrophotometer. The absorbance data shows that the radiation sensitivity of the film was found to be independent of gamma dose rates ranging between 0.75 kGy/h to 3.0kGy/h.

Relative humidity during irradiation also did not have any marked effect on the radiation response of these films. The radiation sensitivity of the film was found to increase with an increase in irradiation temperature with maximum response at 45°C. Films showed good pre and post irradiation stability.

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Crystal Violet Adsorption by Bacterial Cellulose Powder: Effects of Various Experimental Conditions

Khairul Azly Zahan, Muhamad Amirul Zuhaimi, Mahfuzah Mustapha and Norhani Jusoh

Page No. 86-91

This study focuses on the utilisation of bacterial cellulose (BC) as a biosorbent for wastewater treatment. BC produced from the fermentation of Acetobacter xylinum has been recognised as a versatile natural biopolymer due to its numerous applications in various fields such as food, medical, cosmetics and environment. In this study, the adsorption of crystal violet (CV) from aqueous solution by BC powder as biosorbent was investigated under various experimental conditions. The factors studied are initial CV concentration (10, 20, 30 and 40 mg/L), biosorbent size (<50, 106–199, 200–249 and >250 µm) and BC load (50, 100, 150 and 250 mg). Two major outcomes were the percentage of CV adsorption and equilibrium time.

The results showed that the initial CV concentration and biosorbent size gave significant effects towards the percentage of CV adsorption which ranged from 26.7% to 69.7% and 15.0% to 73.5% respectively. Meanwhile, different BC loads did not show greater impact as the percentage of CV adsorption for each BC load was in the range of 73.5% to 82.1%. Additionally, the equilibrium time achieved at all experimental conditions was recorded between 100 and 120 min which proved their independent behaviour from all factors involved in this study.

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Simultaneous determination of trace Cu2+, Pb2+ and Zn2+ in water samples of Semnan city in Iran using adsorptive stripping voltammetry with 2-aminobenzoic acid ligand

Ebrahim Zarei, Amir Izadyar, Alireza Asghari and Maryam Rajabi

Page No. 92-98

2-aminobenzoic acid (ABA) has been used as complexing ligand for simultaneous determination of Cu2+, Pb2+ and Zn2+ metal ions by adsorptive cathodic stripping voltammetry (AdCSV). The effect of experimental parameters such as pH, ABA concentration, accumulation potential (Pac), time (tac) and scan rate (υ) were examined. The proposed method was applied for the determination of these elements in tap water and industrial waste water of Semnan city in Iran as real samples.

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Isolation of Aspergillus neoflavipes AJR1 and its utilization in Sulphate Removal

Chatterjee Ankita, Jacob Anu Reeba, Mohan Renju, Varghese K. Justin and Abraham Jayanthi

Page No. 99-102

The presence of sulphur in natural form is generally found in acid sulphate soils and in iron bearing sulphides regions. They are also found in effluents released from industries due to anthropogenic activity. The acid manufacturing industries release a huge amount of sulphates in soil that in turn affects the natural habitat of soil. Physical and chemical methods of sulphate removal are highly stereotyped such as lime precipitation, barium precipitation and cost-effective sulphate removal process. Nonetheless, not much has been studied about sulphate removal with microorganisms.

This study deals with removal of sulphate with Aspergillus neoflavipes strain AJR1 which was isolated from acid industry effluent rich soil; sulphate tolerance was also checked. The growth kinetics rate of fungus isolate was detected in presence of sulphate which showed increase in growth of the fungus in presence of sulphate. The fungus was used for removal of sulphate from aqueous solution and the removal was analytically checked by high performance liquid chromatography (HPLC).

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