Fatima Mata National College

Kollam, India

Fatima Mata National College

Kollam, India
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Mariamma K.C.,Mes College | Varghese H.T.,Fatima Mata National College | John K.,Mar Thoma College | Vinsova J.,Charles University | Van Alsenoy C.,University of Antwerp
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2013

The optimized molecular structure, vibrational frequencies and corresponding vibrational assignments of 5-Chloro-2-[4-(trifluoromethyl) phenylcarbamoyl]phenyl acetate have been investigated experimentally and theoretically using Gaussian09 software package. Potential energy distribution of the normal modes of the vibrations was done using GAR2PED program. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper conjugative interaction and charge delocalization have been analyzed using NBO analysis. The calculated geometrical parameters are in agreement with that of similar derivatives. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive object for future studies of nonlinear optics. The red shift of the NH stretching wave number in the IR spectrum with a strong intensity from the computed wave number indicates the weakening of the NAH bond resulting in proton transfer to the neighboring oxygen. © 2013 Elsevier B.V. All rights reserved.


Raj A.,Government Polytechnic College | Raj A.,Kerala University | Mary Y.S.,Fatima Mata National College | Varghese H.T.,Fatima Mata National College | Raju K.,Kerala University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2013

(Figure Presented) FT-IR and FT-Raman spectra of 2-(benzylsulfanyl)-3,5- dinitrobenzoic acid were recorded and analyzed. SERS spectra were recorded in silver colloid, silver electrode and silver substrate. The vibrational wave-numbers were computed using HF and DFT quantum chemical calculation methods. The data obtained from wavenumber calculations are used to assign vibrational bands obtained in infrared and Raman spectra as well as in SERS of the studied molecule. Potential energy distribution was done using GAR2PED program. The geometrical parameters of the title compound are in agreement with the reported similar derivatives. The presence of phenyl ring modes in the SERS spectra suggests a tilted orientation with respect to the metal surface in all cases. In all the three SERS spectra the NO2 moiety shows an enhancement, which indicates the interaction with the metal surface. The first hyperpolarizability is high and the title compound is an attractive object for future studies of nonlinear optics. © 2013 Elsevier B.V. All rights reserved.


Bhagyasree J.B.,Mar Ivanios College | Varghese H.T.,Fatima Mata National College | Samuel J.,Mar Ivanios College | Van Alsenoy C.,University of Antwerp | And 3 more authors.
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2013

The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 5-nitro-2-(4-nitrobenzyl) benzoxazole have been investigated experimentally and theoretically using Gaussian09 software package. Potential energy distribution of the normal modes of vibrations was done using GAR2PED program. The energy and oscillator strength calculated by time dependent density functional theory almost compliments with experimental findings. Gauge-including atomic orbital 1H NMR chemical shifts calculations were carried out by using B3LYP functional with 6-31G- basis set. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization have been analyzed using NBO analysis. MEP was performed by the DFT method and the predicted infrared intensities and Raman activities have also been reported. The calculated geometrical parameters are in agreement with that of similar derivatives. © 2012 Elsevier B.V. All rights reserved.


Anto P.L.,Thomas College | Varghese H.T.,Fatima Mata National College | Philip D.,Mar Ivanios College
Journal of Raman Spectroscopy | Year: 2010

The Fourier-transform infrared and Fourier-tranform Raman spectra of phenyl phosphate disodium salt were recorded and analyzed. The surface-enhanced Raman scattering (SERS) spectrum was recorded in a silver colloid. The vibrational wavenumbers of the compound were computed using the Hartree-Fock/6-31G* basis and compared with the experimental values. The molecule is adsorbed on the silver surface with the benzene ring in a tilted orientation. The presence of the phenyl ring and the phosphate group vibrations in the SERS spectrum reveal the interactions between the phenyl ring and the phosphate group with the silver surface. The first hyperpolarizability is calculated, and the calculated molecular geometry is compared with those of similar reported structures. Copyright © 2009 John Wiley & Sons, Ltd.


Varghese H.T.,Fatima Mata National College
Oriental Journal of Chemistry | Year: 2011

The C=O stretching frequencies of compounds containing carboxylic group are calculated theoretically using Gaussian03 software at the density functional level and compared with experimental values. The C=O bond lengths are also nearly same for all compounds. The nature of substitution in the molecules affect the C=O stretching frequencies. The in-plane OH deformation bands and C-O stretching frequencies are also found to be in agreement with the theoretical results.


Joseph T.,Karpagam University | Varghese H.T.,Fatima Mata National College | Thiemann T.,Kyushu University | Thiemann T.,United Arab Emirates University | And 3 more authors.
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2014

Anthraquinone derivatives are most important class of a system that absorb in the visible region. In this work, the vibrational spectral analysis was carried out using FT-IR and FT-Raman spectroscopy for 2,4-bis(2-methoxyphenyl)- 1-phenylanthracene-9,10-dione. Theoretical calculations were performed by ab initio HF and DFT methods using 6-31G* basis set. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The calculated geometrical parameters (DFT) are in agreement with that of similar derivatives. The calculated first hyperpolarizability of the title compound is 4.69 × 10-30 esu, which is 36.08 times that of urea and the title compound and the series of compounds it represents are attractive candidates for further studies in non linear optical applications. © 2013 Elsevier B.V. All rights reserved.


Sarlin P.J.,Cochin University of Science and Technology | Sarlin P.J.,Fatima Mata National College | Philip R.,Cochin University of Science and Technology
Aquaculture | Year: 2011

Efficacy of marine yeasts Debaryomyces hansenii (S8) and Candida tropicalis (S186) as immunostimulants to Indian white prawn Fenneropenaeus i. ndicus was estimated in comparison with Saccharomyces cerevisiae S36. Biomass of yeast strains was prepared using Malt Extract Agar and incorporated into a standard diet to prepare yeast diets of varying concentrations. F. indicus were fed these diets for a period of 14. days and then challenged orally with white spot syndrome virus (WSSV) and immune assays like total hemocyte count, phenol oxidase, NBT reduction, alkaline phosphatase and acid phosphatase were performed. Generally yeast diets provided better protection to F. indicus against WSSV compared to control. Marine yeast diet was found to support maximum immunostimulation evidenced by enhanced shrimp immunity. The study showed that marine yeasts D. hansenii (S8) and C. tropicalis (S186) are effective immunostimulants in F. indicus and they perform better than the baker's yeast, S. cerevisiae. © 2011 Elsevier B.V.


Pillai S.S.,Bishop Moore College | Mullassery M.D.,Fatima Mata National College | Fernandez N.B.,Fatima Mata National College | Girija N.,Db Pampa College | And 2 more authors.
Ecotoxicology and Environmental Safety | Year: 2013

The biosorption capacity of chemically modified potato starch (CPS) for Cr(VI) from aqueous solution was investigated. The materials derived from carbohydrates are biodegradable and are generally regarded as safe and environmentally acceptable. The hydroxyl, carboxyl and carbonyl groups are responsible for the biosorption process. In the present study, the influence of various important parameters such as pH, time, biosorbent dose and initial Cr(VI) concentration on the biosorption capacity were investigated. The isotherms such as Langmuir, Freundlich and Tempkin were studied. The Freundlich and the Redlich-Peterson isotherms had been well fitted the biosorption of Cr(VI) with chemically modified potato starch. The kinetics of Cr(VI) removal using chemically modified potato starch was well explained by second-order kinetic model. The thermodynamic parameters were also evaluated from the biosorption measurements. Among the various desorbing agents tested, 98.2 percent chromium recovery was achieved with 0.1molL-1 NaOH. © 2013 Elsevier Inc.


Anirudhan T.S.,Kerala University | Fernandez N.B.,Fatima Mata National College | Mullassery M.D.,Fatima Mata National College
Journal of Chemical Technology and Biotechnology | Year: 2012

Background: Environmental pollution and its abatement have attracted much attention for some time. The problem of removing pollutants from water and wastewater has grown along with rapid industrialization. Formaldehyde polymerized banana stem (FPBS) having sulphonic acid groups was investigated as an adsorbent for cadmium(II) removal from aqueous solutions. Results: The outstanding function of the adsorbent was demonstrated at pH 9.0. The adsorption efficiency of FPBS was compared with BS and results showed that FPBS was two times more effective than BS for cadmium(II) removal. Maximum recoveries of 97.3 and 90.3% for 10 and 25 mg L -1 initial concentrations were obtained at pH 9.0. Kinetic studies revealed that adsorption occurred in two stages: external mass transport in the first stage and intra-particular diffusion in the second stage. Adsorption was found to be rapid and equilibrium was attained in 60 min. Among the various desorbing agents tested, 99.2% cadmium recovery was achieved with 0.1 mol L -1 HCl. ConclusionS: The uptake efficiency of cadmium(II) by FPBS was determined. Repeated adsorption-desorption study showed that FPBS can be used as an adsorbent for the removal and recovery of Cd(II) from aqueous solutions. © 2012 Society of Chemical Industry.


Fernandez N.B.,Fatima Mata National College | Mullassery M.D.,Fatima Mata National College | Anirudhan T.S.,Kerala University
Journal of Applied Polymer Science | Year: 2012

The performance of an anion exchanger prepared from banana stem (BS), a lignocellulosic residue for the removal of As(III) from aqueous solutions has been evaluated in this study. The adsorbent (BS-DMAHP) containing dimethylaminohydroxypropyl (DMAHP) functionality was prepared by the reaction of BS with epichlorohydrin and dimethylamine followed by treatment with hydrochloric acid to convert it into the chloride form of the anion exchanger. The adsorbent characterization was done with the surface area analyzer, Fourier transform infrared spectroscopy (FTIR), and potentiometric titrations. Adsorption equilibrium study was conducted with a concentration range of 10-300 mg/L, for As(III). The Langmuir isotherm model was found to be the best fit model. The maximum adsorption capacity was found to be 65.11 mg/g. Adsorption has been found to be endothermic and follows second-order reversible kinetics. The removal efficiency of BS-DMAHP was also compared with commercially available amine functionalized weak base anion exchanger, Duolite A-7. Regeneration studies were also conducted to evaluate the reusability of the adsorbent. © 2012 Wiley Periodicals, Inc.

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