Thanthai Hans Roever College

Perambalur, India

Thanthai Hans Roever College

Perambalur, India
SEARCH FILTERS
Time filter
Source Type

Jeyanthi K.A.,Thanthai Hans Roever College
International Journal of Pharmacy and Pharmaceutical Sciences | Year: 2012

Diabetes mellitus is a metabolic disorder of multiple etiologies characterized by chronic hyperglycemia with disturbances in carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action or both. The present study shows that increased oxidative stress is apparent in STZ induced diabetic animals. The ethanolic extract of cassia fistula flowers exhibits a significant antihyperglycemic as well as antioxidant as antioxidant activity in experimental rats. The presences of phytochemicals further strengthen the efficacy of cassia fistula flowers in protecting the tissue defense system against oxidative damage in STZ induced diabetes. The observed antioxidant potential of cassia fistula flowers may partially responsible for its antidiabetogenic properties.


Mahimaidoss J.,Thanthai Hans Roever College | Antony C.,SRM University | Vincent A.R.,St. Joseph's College
Journal of Pharmacy Research | Year: 2013

This study was designed to determine the primary and secondary metabolites present from the leaves of Phyllanthus wightianus using various analytical techniques. Furthermore the antioxidant and anti-inflammatory activities of ethanolic extract of the leaves of P. wightianus were investigated using standard models. The results show that the leaves exhibit good antioxidant activity and protective to HRBC (Human Red Blood Cell) membrane due to the presence of some valuable phytochemicals present in the leaves. © 2012, JPR Solutions.


Nataraj A.,Thanthai Hans Roever College | Balachandran V.,Aa Government Arts College | Karthick T.,Vivekanandha College for Women | Karabacak M.,Afyon Kocatepe University | Atac A.,Celal Bayar University
Journal of Molecular Structure | Year: 2012

The FT-IR and FT-Raman spectra of 3,5-pyridinedicarboxylic acid (dinicotinic acid, C 7H 5NO 4) in the solid phase were recorded. The fundamental vibrational wavenumbers, intensities of vibrational bands and the optimized geometrical parameters of the compound are evaluated using HF and DFT (B3LYP) methods with 6-311G(d) basis set. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. The computed dimer parameters also show agreement with experimental data. The complete assignments were performed on the basis of the total energy distribution (TED). Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. UV-visible spectrum of the compound was recorded in the region 200-400 nm and the electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures were calculated. © 2012 Elsevier B.V. All rights reserved.


Baraniraj T.,Thanthai Hans Roever College | Philominathan P.,Avvm Sri Pushpam College
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2010

Single crystals of l-arginine maleate dihydrate (LAMD) were successfully grown from aqueous solution by solvent evaporation technique. As-grown crystals were analyzed by different instrumentation techniques such as X-ray powder diffraction (XRD), Fourier transform infrared (FTIR) spectra and UV-vis near infrared (NIR) transmittance spectra. Thermal behavior has been studied with TGA/DTA analyses. The optical second harmonic generation (SHG) conversion efficiency of LAMD was determined using Kurtz powder technique and found to be 1.5 times that of KDP. © 2009 Elsevier B.V. All rights reserved.


Balachandran V.,Aa Government Arts College | Nataraj A.,Thanthai Hans Roever College | Karthick T.,Vivekanandha College for Women
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2013

FT-Raman and FT-IR spectra for 2-hydroxy-p-toluic acid molecule had been recorded in the regions 3500-100 cm-1 and 4000-400 cm-1, respectively. Vibrational frequencies have been calculated in optimum state by employing density functional theory (DFT) and Hartree Fock (HF) methods with 6-311++G(d,p) basis set in monomeric form. SQM force fields have also been used to calculate potential energy distributions in order to make conspicuous vibrational assignments. Optimized geometries of the molecule had been interpreted and compared. The electric dipole moment and first hyperpolarizability values of the investigated molecule were computed using ab initio and DFT calculations. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond analysis. The results show that charge in electron density (ED) in the σ* antibonding orbitals and E(2) energies confirms the occurrence of ICT within the molecule. © 2012 Elsevier B.V. All rights reserved.


Anbazhagan G.,Hh Rajahs College | Joseph P.S.,Thanthai Hans Roever College | Shankar G.,Salem College
Optics Communications | Year: 2013

Single crystals of l-aspartic acid nickel chloride (LANC) were grown by the slow evaporation technique at room temperature. The grown crystals were subjected to Powder X-ray diffraction studies to confirm the crystal structure. The modes of vibration of different molecular groups present in LANC have been identified by FTIR spectral analysis. Optical transferency of the grown crystal was investigated by UV-Vis-NIR spectrum. The lower optical cut off wavelength for this crystal is observed at 240 nm and energy band gap 5.179 eV. The optical reflectance and optical refractive index studies have been carried out in this crystal. Finally, the optical conductivity and electrical conductivity studies have been carried out on LANC single crystal. © 2012 Elsevier B.V.


Nataraj A.,Thanthai Hans Roever College | Balachandran V.,Aa Government Arts College | Karthick T.,Vivekanandha College for Women
Journal of Molecular Structure | Year: 2013

The FT-IR and FT-Raman spectra of p-acetylbenzonitrile (p-ABN) are recorded in the solid phase. The fundamental vibrational frequencies, intensity of vibrational bands and the optimized geometrical parameters of the compound are evaluated using MP2 and DFT (B3PW91) methods with 6-31G basis set. The theoretical frequencies are scaled down and compared with experimental values which showed good agreement. Comparison of the simulated spectra with experimental spectra provides important information about ability of the hybrid computational method to describe the vibrational modes. The investigation of non-linear optical properties, the electric dipole moment μ, polarizability α, anisotropy of polarizability Δα, and molecular first hyperpolarizability β were computed. The linear polarizabilities and first hyperpolarizabilities of the studied molecule indicate that the molecule can be a candidate of non-linear optical material. The HOMO, LUMO, chemical hardness (η), chemical potential (μ), electrophilicity value (ω), total energy, and dipole moment are calculated by MP2 and DFT/B3PW91 using 6-31G basis set. The molecular electrostatic potential (MESP) is also calculated and corresponding graphs are drawn. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital analysis. Finally, some thermodynamic parameters are also calculated and discussed. © 2013 Elsevier B.V. All rights reserved.


Nataraj A.,Thanthai Hans Roever College | Balachandran V.,Aa Government Arts College | Karthick T.,Vivekanandha College for Women
Journal of Molecular Structure | Year: 2013

In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 4000-400 cm-1 and 3500-100 cm-1, respectively, for the 2-hydroxy-5-bromobenzaldehyde (HBB). The experimental spectra were recorded in the solid phase. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) with the standard B3LYP/6-311G++(d,p) method and basis set. Normal co-ordinate calculations were performed with the DFT force field corrected by a recommended set of scaling factors yielding fairly good agreement between observed and calculated frequencies. Simulation of infrared and Raman spectra utilizing the results of these calculations led to excellent overall agreement with the observed spectral patterns. The complete assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The optimized geometric parameters (bond lengths and bond angles) were compared with experimental values of related compound. The stability of the molecule arising from hyper conjugative interactions and the charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The directly calculated ionization potential (IP), electron affinity (EA), electronegativity (χ), electrophilicity index (ω), hardness (η), chemical potential (μ), and first electron excitation (τ) are all correlated with the HOMO and LUMO energies with their molecular properties. These show that charge transfer occurs within the molecule. Furthermore, molecular electrostatic potential maps (MESP) of the molecule have been calculated. © 2012 Elsevier B.V. All rights reserved.


Christopher C.,Thanthai Hans Roever College | Lawrence S.,Sacred Heart College | Bosco A.J.,St. Joseph's College | Xavier N.,St. Joseph's College | Raja S.,St. Joseph's College
Catalysis Science and Technology | Year: 2012

A convenient, selective and inexpensive two phase electrolysis method has been developed for preparation of benzaldehyde. Optimization studies have been carried out on an undivided beaker-type cell equipped with carbon anode and stainless steel cathode using a two-phase electrolytic medium made up of an aqueous solution of sodium nitrate with a minimum amount of HCl as supporting electrolyte and chloroform containing benzyl alcohol as organic phase at 30-34°C. In order to oxidize one mole of benzyl alcohol to benzaldehyde 2 F of electricity was passed. Two-phase electrolysis results in high yield (95%) and high current efficiency (95%). © 2012 The Royal Society of Chemistry.


Nataraj A.,Thanthai Hans Roever College | Balachandran V.,Aa Government Arts College | Karthick T.,Vivekanandha College for Women
Journal of Molecular Structure | Year: 2011

In this paper, we report a combined experimental and theoretical study on molecular structure; vibrational spectra of 4-hydroxy-3-methoxy-5- nitrobenzaldehyde (HMN) have been recorded using Fourier transform infrared spectroscopy (FT-IR) and FT-Raman measurements in the region of 4000-400 cm -1 and 3500-100 cm-1, respectively. The molecular geometry, harmonic vibrational frequencies, bonding features, total energy, Mulliken atomic charges and thermodynamic properties for most stable conformer of HMN in ground state were obtained by density functional theory (DFT) with the standard B3LYP/6-311++G(d,p) basis set combinations, and was scaled using various scale factors which yields a good agreement between observed and calculated frequencies. The vibrational spectra were interpreted with the aid of normal coordinate analysis based on scaled quantum mechanical force field. The results of the calculations were applied to simulated infrared and Raman spectra of the title compound, which showed good agreement with the observed spectra. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. © 2011 Elsevier B.V. All rights reserved.

Loading Thanthai Hans Roever College collaborators
Loading Thanthai Hans Roever College collaborators