Asian Journal of Chemistry

505-509

Authors: Anju Linda Varghese *, Ignatious Abraham and M. George

Nonlinear optical (NLO) properties of N-[3-(naphthalene-1-yloxy)butyl]-4-nitroaniline and N-[3-(naphthalene-1-yloxy)butyl]-2,4-dinitroaniline have been calculated theoretically. Theoretical calculations were performed with four different hybrid density functional theories (DFT) i.e. BPV86, B3LYP, LSDA and M-06 with 6-31++G(d,p) basis set. The results showed that these molecular systems have large first static hyperpolarizabilities. Moreover, NLO response of these molecular systems decreased considerably when nitrophenyl is replaced by dinitrophenyl group

515-521

Authors: Gurjeet Kaur , Sangeeta Sharma * and Umesh Kumar Garg

Malwa region of Punjab state, India has become the center of water borne diseases due to excessive use of pesticides, chemical fertilizers, heavy metals, industrial toxins that cause toxicity in water. The main contamination in ground water is by physico-chemical parameters and heavy metals i.e. pH, total dissolved solids, total alkalinity, total hardness, calcium, chlorides, fluorides, arsenic and lead. The contamination of ground water with heavy metals causes health hazards to humans and animals. Due to lack of adequate facilities and resources for the management and handling of waste, the ground water contamination has been increased. In the present study, assessment of ground water quality was carried out in the villages of Ferozepur district of Punjab state, India. With main emphasis on analyzing the groundwater parameters of Ferozepur district which are responsible for health hazard to humans and animals. Various groundwater samples were collected randomly from the villages of Ferozepur district and analyzed for pH, total dissolved solids, total alkalinity, total hardness, calcium, chlorides, fluorides, heavy metals (arsenic and lead) using standard procedures. The concentrations of calcium, chlorides, fluorides and pH were within the permissible limits, whereas, alkalinity and total hardness were observed beyond permissible limits in most of the water samples. Even among majority of the samples taken, the concentration of arsenic and lead was found within the permissible limits. Results showed that the ground water samples collected from depth ranging from 100 to 360 ft, recorded values within permissible limits for drinking purpose as prescribed by WHO. Further, ANOVA has been applied on analysis results to study the effect of pH on fluoride and chloride, depth on fluoride and chloride and depth on arsenic and lead. Also, to adjudge the overall quality of water in Ferozepur district, the water quality index (WQI) has been calculated on the basis of large number of physico-chemical characteristics of water. The water quality index of ground water in Ferozepur district has been calculated to be 107. The value is close to 100 so the quality of ground water in Ferozepur district can be categorized under 'Good Quality' water.

527-532

Authors: Chinnadurai Anbuselvan

In this study, a fluorescent film probe with a structure centered on a Schiff base viz. (N1′,N2′)-N1,N2-bis(2-amino-3,5-dibromobenzylidene)-1,2-diamine (DAB) was synthesized. The probe was used as a fluorescence chemosensor for transition metal ion detection in an aqueous medium. Fluorescence was measured through fluorescence spectroscopy, and the emission maximum of the proposed sensor was 552 nm. Furthermore, the proposed film sensor exhibited a high sensitivity and selectivity toward Hg2+ ions. The limit of detection (LOD) of chemosensor, which was calculated using the fluorescence titration method, found to be 2.11 µM at 552 nm. The fluorescence spectroscopic data evidenced the potential of the proposed sensor for application in the detection and determination of Hg2+ ions in deionized water without the interference from other metal ions.

538-544

Authors: M.Chandra Sekhar *, Dereje Wakgari , Dunkana Negussa Kenie and K. Chandrasekhar Reddy

Density functional theoretical (DFT) studies on intermolecular hydrogen bond interactions between self and cross-associated molecular complexes of 2-chloroaniline and isomeric butanols (e.g., 2-methyl-2-propanol, 2-methyl-1-propanol, 2-butanol and1-butanol) have been analyzed in gas phase. Thirteen 2-chloroaniline isomeric butanol complexes are analyzed at B3LYP/6-311++G(d,p) level regarding their geometries, bond characteristics and interaction energies. The second-order perturbation stabilization energy has been calculated by natural bond orbitals analysis. Barder's quantum theory of atoms in molecules are employed to elucidate electron density (ρ) as well as its Laplacian (∇2 ρ) of the complexes. Further to evaluate the strong and weak interactions between the selected molecular complexes non-covalent interactions plots we used the reduced gradient method.

551-554

Authors: Arun Kumar Khajuria*, Abha Negi , NS Bisht , V Maurya and Anuj Kandwal

Stable zinc oxide nanoparticles were synthesized by using green approach of nanotechnology. The present investigation aimed to synthesize, stable, cost effective, rapid, eco-friendly approach for the bio-reduction of zinc nitrate hexahydarate to their nano size using phytochemicals present in the root extract of Viola canescens. The synthesized nanoparticles were further characterized by UV-visible, XRD, FTIR, SEM techniques and tested against the Gram-negative and Gram-positive pathogenic cultures of bacteria. The average size of synthesized nanoparticles was less than 11 nm with hexagonal morphology. The clear zone of inhibition against tested bacteria showed their capability as antimicrobial agent.

559-565

Authors: K. Kathiresan , P. Elangovan * and M.S.S. Saravanakumaar

Herein, we report the fabrication of titanium dioxide nanotubes via anodization technique through with and without hydrofluoric acid . The impact of hydrofluoric acid followed by annealing effect on TiO2 nanotubes for the solar water splitting performance was examined. Prepared TiO2 samples exhibited a diameter of about 50 to 100 nm sized nanotubes and hierarchical structures and they subjected to annealing. Synthesis and annealing effects on chemical, physical and photoelectrochemical water splitting activity of TiO2 samples were scrutinized. The crystalline nature, structure and surface morphologies of prepared TiO2 photocatalysts were explored by X-ray diffraction, scanning electron microscope, and the oxidation states of both titanium and oxygen was determined by X-ray photoelectron spectroscopy. As a consequence, after annealing at 500 ºC, TiO2 thin films treated with hydrofluoric acid solution (HF-TiO2) were found to exhibit a remarkable photoelectrochemical performance than bare TiO2 nanotubes under UV light irradiation. Moreover, the mechanistic insights acquired in the current research would be beneficial to design a novel and highly efficient photocatalyst for solar water splitting systems.

569-574

Authors: Fatimah Abdul Razzak Mageed1 , Mohanad Musa Kareem2,* and Mohammad N. Al-Baiati

In this work, two new drug substituted monomers and new homogenous and heterogeneous polymers were synthesized loaded with medicinal properties to extend the controlled drug. The first step includes preparation of compound (F1) via reaction of maleic anhydride with 4-aminobenzoic acid. Then compound (F1) was converted to its corresponding acyl chloride derivative which reacted with amino drugs (sulfadiazine, chlordiazepoxide) afforded (F2 and F3) monomers. Homogeneous polymers (F8 and F9) prepared through polymerization reaction of free radicals of the monomers (F2 and F3) under nitrogen using methyl ethyl ketone peroxide (MEKP) as initiator. Heterogeneous polymers (F14 and F15) prepared through polymerization reaction of free radicals of the monomers (F2 and F3) separately with acrylic acid under nitrogen using methyl ethyl ketone peroxide (MEKP) as initiator. All these prepared monomers and polymers were characterized by FT-IR and 1 H NMR, 13C NMR spectroscopies. Controlled drug release and swelling % was studied in different pH values at 37 ºC. Intrinsic viscosities were measured at 25 ºC with Ostwald viscometer and applied the characteristic of solubility for these polymers.

581-584

Authors: Subhalaxmi Pradhan1,2,*, Gitanjali Pradhan3 and S.N. Naik

The present work describes the estimation of antinutritional components such as phorbol esters in oil, trypsin inhibitors and phytates in the defatted meal of Jatropha curcas seeds collected from different geographical locations of India. The phorbol ester, trypsin inhibitor and phytate content in the defatted seed meal were extracted and estimated. Phorbol esters, the major toxic components vary from 0.9 to 3.2 mg/g in oil and 0.2 to 1.6 mg/g in the defatted meal. Similarly, a wide variation was observed for trypsin inhibitor (5.72-23.09 mg/g of defatted seed meal) and phytate (7.9-10.1 %) content in the meal of seeds collected from different geographical locations of India. The study also examined the variation of concentration of antinutritional components with the effect of meteorological parameters mainly climatological temperature and rainfall over stations. The phorbol esters content in the seed and meal are increased/decreased from region to region with the subsequent variation of temperature and rainfall. A similar trend is also observed in variation of trypsin inhibitors in seed cake whereas the variation of phytate concentration is not correlated with rainfall and temperature

591-596

Authors: T.M. Ahamed Hussain and B.N. Sivasankar

New aminoguanidinium and hydrazinium uranyl complexes of trichloroacetate with formulae H2(HAgun)2[UO2(Cl3COO)5](NO3 ) (1) and (N2H5)[UO2(Cl3COO)3] (2) where HAgun is aminoguanidinium cation have been prepared in aqueous media and charaterized by analytical, spectral, thermal and X-ray crystallographic studies. The electronic spectra of the complexes confirm the presence of uranyl cation in the molecules. The infrared spectra of the complexes show the N-N stretching frequency of aminoguanidinium in the range of 1100 cm-1 and for hydrazinium in the range of 970 cm-1 conforming their ionic nature. The simultaneous TG-DTA of both the complexes show two step degradation to yield U3O8 as the final residue which was confirmed by X-ray powder diffraction. The structural morphology of U3O8 has been studied by SEM technique. The crystal structure of compound 1 reveals seven coordination around uranium with pentagonal bipyramidal geometry. Aminoguanidinium cations and nitrate anion are present outside the coordination sphere as charge compensating species. However, for hydrazine complex hexagonal bipyramidal geometry has been assigned on the basis of analytical and spectral studies.

602-606

Authors: Ch. Shanti Devi*, S. Manimukta Devi and N. Shubhaschandra Singh

In this study, environmentally friendly hydrogels prepared from hydroxy propyl cellulose hydrogels blended with poly(vinyl alcohol) (PVA) and poly(vinyl pyrrolidone) (PVP) were employed to absorb selected metal ions of Cu and Fe to find potential applications in removal of metal ion from water or in wastewater treatment. Highest adsorption capacity of hydroxy propyl cellulose hydrogels blended with PVA or PVP is shown at 0.04 % (w/v) of the metal ion solutions. Hydroxy propyl cellulose hydrogel when blended PVA has shown greater adsorption of Fe(III) ion than Cu(II) ion at higher pH. Hydroxy propyl cellulose hydrogel when blended with PVP also showed maximum adsorption capacity rather than PVA blended hydrogel.

613-616

Authors: Vishwa Deepak Tripathi *, Akhilesh Kumar Shukla and Hasan Shamran Mohammed

In present work, we have reported the synthesis and characterisation of novel hexahydrospiro[indoline3,3′-pyrrolizine]-2-one derivatives in good to excellent yields via [3+2] cycloaddtion reaction in regioselective manner. These compounds were synthesized via multicomponent reaction of substituted 3-cinnamoyl-4-hydroxy-6-methyl-2H-pyran-2-one, isatin, L-proline at room temperature. All the synthesized hexahydrospiro molecules were characterized by 1 H and 13C NMR, IR spectra, mass spectra and elemental analysis. Regioselectivity in synthesized molecules were also explained on the basis of secondary orbital interactions. A simple and facile methodology is developed which has great importance in synthetic chemistry

622-626

Authors: M. Reddeppa , R. Chenna Krishna Reddy, Y. Paul Raj and T. Shobha Rani*

The objective of present study is to synthesize copper nanoparticles from Vitex negundo Linn., root bark extract as reducing and stabilizing agents. The synthesized nanoparticles were characterized by using UV-visible spectrophotometer, X-ray diffraction, FTIR, SEM and EDX. The results were shown that copper nanoparticles exhibited UV-visible absorption peak at around 550 nm. The XRD study confirmed that nanoparticles are crystalline in nature. In addition to these, FTIR was also used to analyze the various functional groups stabilized and protected the copper nanoparticles. The SEM results revealed that the copper nanoparticles are spherical, cubic and hexagonal in shape and having the particle size ranging from 40 to 60 nm. Catalytic activity of copper nanoparticles were studied in the Huisgen [3+2] cycloaddition of azides and alkynes to obtain 1,4-disubstituted 1,2,3-triazole at room temperature. Antibacterial profile revealed that the biopotent copper nanoparticles exhibited moderate to good activity against bacterial strains.

633-636

Authors: Jaspal Singh* and S.S. Verma

This paper aims to introduce the synthesis and characterization of some useful thermo electric pellets in order to determine their ability to convert waste heat into electricity. The thermo electric pellets of Bi2Pb3, Bi2Te3 and Pb2Te3 in cylindrical dimensions are prepared by 15 mm mixture of different compositions. The research work explores the facts that how such kind of the semiconducting materials can be utilized as thermo-electric power generation elements. The performance of these pellets analyzed not only in the normal mode but also under the effect of electric and magnetic fields, which can exist already or applied in the condition of their operation. Thermo-emf generation is carried out in the normal mode and under the influence of applied electric and magnetic fields of different magnitudes in the temperature range of 190 °C. Hence, the paper is an outlet of the waste heat utilization with the influence of electric or magnetic field towards their conversion of waste heat into electricity by special sized thermoelectric pellets and the suitable chemical method of their preparation

642-646

Authors: Sarbjit Rala

Electrochemical reactions of bromoethane, 1-bromopropane, 1-chlorobutane and chlorobenzene have been carried out in acetonitrile at sacrificial antimony anode using tetrabutylammonium chloride as supporting electrolyte. The products isolated from the anode compartment have been characterized by elemental analysis and infrared spectral studies and are identified as organoantimony compounds. Coordination compounds of same have been synthesized with ligand (1,10-phenanthroline and 2,2'-bipyridyl). All these reactions proceed with high current efficiencies.

651-655

Authors: Qidist Yilma , Dunkana Negussa * and Y. Dominic Ravichandran

Kinetics of alkaline hydrolysis of crystal violet, a triphenylmethane dye in the micellar environment of cetyltrimethylammonium bromide (CTAB), sodium dodecyl sulfonate (SDS) and binary mixtures of these surfactants was studied. The regression parameters, together with rate constants and binding constants were obtained by analyzing the rate surfactant profiles using cooperativity model. It was observed that the reaction was catalyzed by both surfactants. The catalytic factor increased by 10 times in SDS and 38 times in CTAB indicating that binding of crystal violet to the micellar surface is stronger in pure CTAB than SDS but the strength drastically reduced in the mixtures of the surfactants. Reduction of binding constant became more important as the mole fraction of CTAB was improved in the mixture. The kinetic data were investigated using Piszkiewicz model and Raghavan-Srinivasan model. The data obtained from the models were in good agreement with the experimental values.

661-668

Authors: A. Rajeswari and P. Murugakoothan*

Semi-organic single crystals of guanidinium tris cadmium sulphate octahydrate (GuCdS) with nonlinear optical properties were successfully grown by slow solvent evaporation technique. The grown crystals were characterised by powder X -ray diffraction analysis to determine the unit cell parameters. The structure of the compound belongs to triclinic crystal system and space group is found to be P1. The grown crystals were subjected to FTIR spectroscopic analysis to confirm the presence of functional groups present in the compound. UV-vis-NIR spectral study suggested that the grown crystal is transparent in the entire visible region, the lower cut off wavelength is 200 nm and the band gap value is estimated to be 6.14 eV. Nonlinear refractive index (n2), absorption coefficient (β) and third order nonlinear susceptibility (χ(3)) were calculated using Z-scan technique. The thermal stability of grown crystal was investigated by thermogravimetric and differential thermogravimetric analyses. The dielectric behaviour of the grown crystal was analyzed as a function of frequency of the applied field. The mechanical properties of grown crystal were examined by Vickers′s micro hardness test. The laser damage threshold of the grown crystal was calculated to be 1.796 GW/cm2 .

674-678

Authors: N. Chithralekha1,* and A. Panneerselvam

The ultrasonic velocity, density and viscosity in mixtures of sorbitan sesquioleate and poly(vinyl pyrrolidone) (PVP), poly(vinyl alcohol) (PVA) and poly(ethylene glycol) (PEG) in different concentration ranges are measured at different temperatures (303, 313 and 323 K). From the experimental data, other related acoustical parameters such as adiabatic compressibility (β), intermolecular free length (Lf), internal pressure (πi), Rao’s constant (Ra), relaxation time (τ), acoustical impedance (Za), absorption coefficient (α/f2 ), free volume (Vf), cohesive energy (CE) and solvation number (Sn) have been evaluated. In aqueous solutions, surfactant molecule starts to aggregate and form micelle in concentration called as critical micelle concentration (CMC). It is one of the most important physical parameters of the surfactants. These results were interpreted in terms of surfactantpolymer complex reactions. The combinations of surfactant with polymers improve the desired properties of the product and the formation of complex was confirmed by UV and FTIR studies.

687-689

Authors: N. Manisaran , G. Santhan , C.M. Meenakshi*, and A. Krishnamoorthy

A composite material is a combination of two or more different materials and it plays a vital role in a wide range of applications. In automotive and mechanical industries the demand for lighter weight components is increasing day by day. Glass and flax reinforced composites have superior properties such a high tensile strength at any weather conditions. As the composite materials are used in many applications and exposed to harsh environment, the water molecules from the environment may induced in to the material then reinforcements may be affected and which causes damage to the interface bonding. In this work the effect of hygrothermal environment on hybrid fiber reinforced composites are studied, two types of composite laminates are prepared one is glass fiber reinforced composite (GFRC) and the other is glass and flax fiber reinforced hybrid composite (HFRC). Tensile test samples are cut from the laminates prepared as per ASTM D 638 standard and the tensile strength values before and after hygrothermal exposure are identified and compared from the result it is presumed that hybrid materials are showing better resistance towards hygrothermal behaviour compare to mono glass fiber composites.

695-698

Authors: N.S. Femila Nirmal*, and T.F. Abbs Fen Reji

The title compound was computed by means of DFT chemical quantum calculations to obtain optimized molecular geometry, harmonic vibrational frequencies and atomic charges. Vibrational bands to the various structural groups and their importance were predicted by analyzing the vibrational spectra. The data showed that B3LYP method provide satisfactory data for assigning vibrational frequencies and structural properties.The HOMO and LUMO energies calculated permit the determination of atomic and molecular parameters and they also represented the transfer of charge in the molecule. Mulliken atomic charge analysis was also done. A comprehensive molecular picture of 2-[2-(4-chlorophenylaminothiazol-5-yl]benzothiazole and its interactions were got from NBO investigations. The molecular docking study indicates that benzothiazole derivative may possess inhibitory activity against BCL2 pancreatic cancer cell lines.

707-713

Authors: Madiha Batool , Muhammad Zahid Qureshi, Farwa Hashmi , Nida Mehboob and Walid M. Daous*

A green synthesis of copper oxide nanoparticles and its removal efficiency of azodye were studied. Biosynthesis of stable copper oxide nanoparticles were preformed using Aloe barbadensis leaf extract as a size and shape-directing agent for preparing of spherical copper oxide nanoparticles by calcination at 400 °C. The leaf extract of Aloe barbadensis was prepared in deionized water. The produced copper particles were calcined at 400 °C to produce copper oxide nanoparticles. The characterization of copper oxide nanoparticles was performed by XRD, SEM, FTIR, UV spectroscopy. The XRD analysis showed that the average particle size was between 5-30 nm. The shape of the copper oxide nanoparticles was spherical and cubic. EDX of the synthesized nanoparticles showed the composition consists of 68 % copper. The UV-visible spectrum analysis confirms an absorption peak at 200-400 nm of the produced CuO nanoparticles. The FTIR analysis of the copper oxide particles indicate the presence of the organometallic Cu-O bond between Cu and O. The obtained copper oxide was used as a removing agent of Congo red dye. The effect of variables like concentration, time, pH, adsorbent dosage were studied. It was observed from the results that the maximum dye removal occurs at pH of 4, the concentration of nanoparticles was 1 mg/L and the maximum time for dye removal was 120 min. The Langmuir isotherm model was calculated to study the adsorption efficiency of the Congo red dye on the produced copper oxide nanoparticles. The kinetics of pseudo second order is followed by adsorption. The calculated sum of square was 0.012 and r2 = 0.98. it was observed that the model fit the best and straight line with r2 value of 0.991 and probability value of 1.6E-5. The nanoparticles remove 70 % of the Congo red dye from its solution. This showed that the copper oxide nanoparticles has efficient capacity of azodye degradation.

719-722

Authors: Hathama Razooki Hasan*, Nuha Nihad A. Aburahma and Abdul Kareem A. AL-Kazaz

The present study aimed to look for the differences in the oxidative stress status in sera and saliva samples of type 2 diabetic Iraqi patients with and without proliferative diabetic retinopathy. As well as to look for the possibility whether this status can be measured in saliva as an alternative sample to that of serum, hence to achieve that total oxidant status, total antioxidant status and oxidative stress index were measured in both sera and saliva samples of two groups of patients with type 2 diabetes mellitus and the healthy individuals. Upon the comparison between patients without proliferative diabetic retinopathy and the control sample the results showed presence of a significant increase (p < 0.05) of total oxidant status and oxidative stress index in sera and saliva samples, while there was a significant decrease (p < 0.05) in total antioxidant status of sera and saliva samples. Meanwhile when the comparison was done between patients with proliferative diabetic retinopathy and those without proliferative diabetic retinopathy, a significant increase (p < 0.05) in both salivary total oxidant status and oxidative stress index was observed with a significant decrease (p < 0.05) in sera and salivary total antioxidant status were found in the proliferative diabetic retinopathy patients group.

727-732

Authors: Jinan Mohammed Mahmood Al-Zinkee and Amer J. Jarad*

The snthesis and characterization of cobalt(II), nickel(II), copper(II) and zinc(II) complexes of azo ligand 4-[(5-acetyl-2-aminophenyl)-diazenyl]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one derived from 4-aminoantipyrine and 4-aminoacetophenone are reported. The nature of the compounds have been studied followed by mole ratio and methods of continuous contrast, Beer′s law followed during a condensation rate (1 × 10-4 – 3 × 10-4 M). The analytical data showed that all the complexes are in 1:2 metal-ligand ratio. An octahedral geometry have been suggested for all the compounds and biological studies of all the complexes were evaluated against different types of antimicrobial strains.

744-750

Authors: Sara Nabil*, and Abeer Obaid Al-Dossary

A series of novel pyridazine, pyrazoles, pyrimidines derivatives have been synthesized through the reaction of chloropyridazine (1) with p-phenylenediamine to give compound 2. Diazotization of compound 2 followed by coupling with active methylene compounds namely acetylacetone, ethylcyanoacetate and/or ethylacetoacetate afforded novel hydrazons derivatives (4-6). The resulting hydrazons can have been cyclized using hydrazine hydrate and guanidine gave the corresponding pyrazoles (7-9) and pyimidine (10) derivatives. Reaction of compound 2 with acrylonitrile, aromatic aldehyde, p-chloroacetophenone and phenyl isothiocyanate gave compounds 11, 12a, 12b, 13 and 17, respectively. The latter compounds have been used in synthesis of some heterocyclic compounds. The cytotoxic activity of the most active compounds was assessed in vitro against breast carcinoma cell line (MCF-7), human liver cancer cell line (HEPG2), human colon cancer cell line (HCT). Compounds 4, 8 showed best activity against MCF-7 cell line, compounds 5, 13a showed best activity against HePG2 cell line and compound 10 showed best activity against HCT cell line