Kanchi Mamunivar Center for Post Graduate Studies

Puducherry, India

Kanchi Mamunivar Center for Post Graduate Studies

Puducherry, India
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Petrus A.J.A.,Kanchi Mamunivar Center for Post Graduate Studies | Siva Hemalatha S.,Kanchi Mamunivar Center for Post Graduate Studies | Suguna G.,Kanchi Mamunivar Center for Post Graduate Studies
Journal of Pharmaceutical Sciences and Research | Year: 2012

Boerhaavia erecta L. (Nyctaginaceae) is a medicinal weed, indigenous to tropical America, but presently pantropical and appear to constitute a functional leafy vegetable of certain communities. The taxon is reported to possess antiparasitic, antifungal, antibacterial, antiviral, antihistaminic, antioxidant and hepatoprotective properties. The residue of the ethanolic leaf-extract was fractionated into diethyl ether, acetone and methanol solubles. All the three fractions of the leaf extract scavenged reactive oxygen and nitrogen species effectively. The most polar methanol fraction was determined to possess Vitamin C equivalent antioxidant capacity (VCEAC) of 64.57±1.07%, which is about 78.4% of the dietary flavonol, rutin. The acetone and ether fractions were determined to possess respectively, 51.5 and 47.1% of the rutin VCEAC. The percent nitric oxide inhibitions of the fractions were respectively found to be 84.0, 56.4 and 51.9% of the rutin capacity for the methanol, acetone and ether fractions. The per cent Fe II chelating capacities of the leaf-extract were found to be in the order methanol > acetone > ether (viz., 73.4, 63.1 and 59.4% of the chelating capacities of the standard trihydroxamic siderophoric drug, deferoxamine). Chemical analysis of the leafy matter has led to the isolation and characterisation of two potentially antioxidant flavan-3-ols, [(+)-catechin] (1) and [(-)-epicatechin] (2) and two dietary flavonols, quercetin (3) and isorhamnetin (4) together with their glycosides, rutin (5), narcissin (6) isoquercitrin (7) and isorhamnetin 3-O-β-D-glucopyranoside (8). The structures of all the eight antioxidant phenolic phytometabolites isolated were characterised on the basis of their physical, chemical and spectral features.


Velanganni J.,Kanchi Mamunivar Center for Post Graduate Studies | Kadamban D.,Kanchi Mamunivar Center for Post Graduate Studies | Tangavelou A.C.,BioScience Research Foundation
International Journal of Pharmacy and Pharmaceutical Sciences | Year: 2011

An ethnomedicinal plant, Mallotus philippensis (Lam.) Muell. Arg., var. philippensis was analyzed for chemical composition and antimicrobial activity. Preliminary phytochemical screening of various extracts of the stem revealed the presence of various classes of compounds such as amino acids, carbohydrates, flavonoids, gum, oil & resins, proteins, phenolic groups, saponins, steroids, tannins and terpenoids. Gas Chromatography-Mass Spectrometry (GC-MS) analysis showed the presence of ten compounds in ethanol extract. Bioassay of antimicrobial activity of hexane, chloroform and ethanol leaf extract showed significant activity against the human pathogens such as Streptococcus pneumoniae causing brain abscesses, pneumonia and septic arthritis, Proteus vulgaris, Pseudomonas aeruginosa causing urinary tract infections and septicaemia, Salmonella typhi causing typhoid fever, Vibrio species causing diarrheal infections and the fungus Candida albicans. The antimicrobial activity of the hexane, chloroform and ethanolic stem extract showed concentration-dependent activity against all the tested bacteria with the zone of inhibition ranged from 12-26mm at various concentrations. But only the ethanol extract showed antimicrobial activity against the fungi A. flavus and C. albicans with the zone of inhibition ranged from 16-22mm at various concentrations.


Vimalavady A.,Kanchi Mamunivar Center for Post graduate studies | Kadavul K.,Kanchi Mamunivar Center for Post graduate studies | Tangavelou A.C.,Bio Science Research Foundation
International Journal of Pharmacy and Pharmaceutical Sciences | Year: 2012

In this paper, an ethnomedicinal plant, Hugonia mystax L., was evaluated for preliminary phytochemical screening and antimicrobial activity. Preliminary phytochemical screening showed the presence of various classes of secondary metabolites such as flavonoids, phenols, saponins, steroids, tannins and terpenoids. Antimicrobial activity of petroleum ether, chloroform, ethanol and aqueous extracts of root extracts showed significant activity against various human pathogens. The antimicrobial activity revealed the medicinal potential of H. mystax to develop a drug against various human ailments.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Mohan S.,Hawasa University
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2011

The Fourier transform infrared (FT-IR) and Fourier transform Raman (FT-Raman) spectra of 2,3-hexadiene have been recorded in the regions 3400-400 and 3400-100 cm -1, respectively. A complete assignment and analysis of the fundamental vibrational modes of the molecule were carried out. The observed fundamental modes have been compared with the harmonic vibrational frequencies computed using HF and DFT (B3LYP, B3PW91) methods by employing 6-31G(d,p) and 6-311++G(d,p) basis sets. The scaled vibrational frequencies are found to coincide with the experimentally observed values. Theoretical infrared and Raman spectra at HF and DFT levels have been constructed and compared with the experimental spectra. A comparative study of computed optimised geometrical parameters, infrared and Raman intensities, thermodynamic values and frequencies obtained by different quantum mechanical methods were presented. Molecular electrostatic potential, total density distribution and frontier orbital energy levels are constructed to understand the electronic properties. The most stable geometry of the compound under investigation has been determined from the potential energy surface scan. © 2011 Elsevier B.V. All Rights Reserved.


Petrus A.J.A.,Kanchi Mamunivar Center for Post Graduate Studies | Bhuvaneshwari N.,Dr Pauls Engineering College
Asian Journal of Chemistry | Year: 2012

Mukia maderaspatana (Linn.) M. Roemer, (Family: Cucurbitaceae) is an indigenous leafy vegetable, reported to offer protection against a number of oxidative stress-mediated ailments. Earlier studies have brought to light the total phenolic contents, reactive species (ROS/RNS) scavenging and metal chelating capacities of the leaf extract. 2,2'-Azino-bis(3-ethylbenzothiazoline- 6-sulphonate (ABTS •+), super oxide (O 2 •-) and NO scavenging capacities, ferric-reducing antioxidant power (FRAP) and ferrous chelating capacities of six C-glucoflavones, isolated and characterized from the edible leaves have been evaluated. 6-C-β-D-glucopyranosylluteolin (4) and 8-C-β-Dglucopyranosylluteolin (6) exhibited maximum ROS/RNS scavenging capacities, while the predominant flavone of the leaf, 7-O-β-Dglucopyranosyl- 6-C-β-D- glucopyranosylapigenin (2) fared weakly. 6-C-β-D-glucopyranosylapigenin (3) was found to be a better scavenger of ABTS ·+ whereas 8-C-β-D-glucopyranosylapigenin (5) scavenged O 2 •- better and 7-O-β-D-glucopyranosyl-6-C-β- Dglucopyranosylluteolin (1) scavenged NO better, in addition to possessing a good ferric-reducing antioxidant power. The ferrous chelating capacities were in the order 1 > 6 > 4 > 2 > 5 > 3, depending upon the metal-binding motifs of their molecular structures. 1, 4 and 6 were found to be only 10 % less potent to chelate Fe(II) compared to deferoxamine, the hydroxamic siderophore, widely employed in the treatment of patients constantly submitted to blood transfusion. The potential ROS/RNS scavenging and metal chelating antioxidant capacities of the C-glucoflavones may contribute considerably to the total antioxidant capacity as well as to the reported protective properties of this functional leafy vegetable.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Kalaivani M.,Kanchi Mamunivar Center for Post Graduate Studies | Senthilkumari S.,Kanchi Mamunivar Center for Post Graduate Studies | Mohan S.,University of the Humanities
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2013

The vibrational assignment and analysis of the fundamental modes of the compounds acetoacetanilide (AAA), 2-chloroacetoacetanilide (2CAAA) and 2-methylacetoacetanilide (2MAAA) have been performed. Density functional theory studies have been carried out with B3LYP method utilising 6-311++G ** and cc-pVTZ basis sets to determine structural, thermodynamic and vibrational characteristics of the compounds and also to understand the influence of chloro and methyl groups on the characteristic frequencies of amide (-CONH-) group. intramolecular hydrogen bond exists in acetoacetanilide and o-substituted acetoacetanilide molecules and the N⋯O distance is found to be around 2.7 Å. The 1H and 13C nuclear magnetic resonance chemical shifts of the molecules were determined and the same have been calculated using the gauge independent atomic orbital (GiAO) method. The energies of the frontier molecular orbitals have been determined. in AAA, 2CAAA and 2MAAA molecules, the nN → pπ* co Interaction between the nitrogen lone pair and the amide C=O antibonding orbital gives strong stabilization of 64.75, 62.84 and 64.18 kJ mol 1, respectively. The blue shift in amide-ii band of 2MAAA is observed by 45-50 cm1 than that of AAA. The steric effect of ortho methyl group significantly operating on the N-H bond properties. The amide-iii, the C-N stretching mode of methyl and chloro substituted aceto-acetanilide compounds are not affected by the substitution while the amide-V band, the N-H out of plane bending mode of 2-chloroacetoacetanilide compound is shifted to a higher frequency than that of AAA. The substituent chlorine plays significantly and the blue shift in o-substituted compounds than the parent in the amide-V vibration is observed. The amide-Vi, C=O out of plane bending modes of 2MAAA and 2CAAA are significantly raised than that of AAA. A blue shift of amide-Vi, C=O out of plane bending modes of 2MAAA and 2CAAA than AAA is observed. © 2013 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Raj A.,Kanchi Mamunivar Center for Post Graduate Studies | Ravindran P.,Mahatma Gandhi Government Arts College | Mohan S.,University of the Humanities
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2014

The vibrational fundamental modes of 2-(methylthio)benzimidazole (2MTBI) have been analysed by combining FTIR, FT-Raman and quantum chemical calculations. The structural parameters of the compound are determined from the optimised geometry by B3LYP with 6-31Gâ̂- â̂ -, 6-311++Gâ̂ - â̂ - and cc-pVTZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. 1H and 13C NMR spectra have been analysed and 1H and 13C nuclear magnetic resonance chemical shifts are calculated using the gauge independent atomic orbital (GIAO) method. The structure-activity relationship of the compound is also investigated by conceptual DFT methods. The chemical reactivity and site selectivity of the molecule has been determined with the help of global and local reactivity descriptors. © 2013 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Rani T.,PRIST University | Mohan S.,Hawasa University
Journal of Molecular Structure | Year: 2011

The FTIR and FT-Raman spectra of 2-(trifluoromethyl)aniline (2TFMA) and 3-(trifluoromethyl)aniline (3TFMA) have been recorded in the range 4000-400 and 4000-100 cm-1, respectively. The experimental vibrational frequencies were assigned and interpreted satisfactorily. The interpretation relies on the theoretical calculations at B3LYP and B3PW91 gradient methods using the standard 6-31G** and higher 6-311++G** basis sets. The frequency calculations were done in ab initio HF method with only 6-311++G** basis set. An extensive study on the vibrational, structural, thermodynamic characteristics as well as the electronic properties of 2TFMA and 3TFMA were carried out using ab initio and DFT methods. In this kind of systems, the position of the substituent group in the benzene ring as well as its electron donor-acceptor capabilities play a very important role on the molecular structural and electronic properties. The influences of the substituents on the structural and electronic properties have been analysed. The intramolecular hydrogen bonds responsible for many features of 2TFMA were analysed. The 1H and 13C FTNMR spectra have been recorded and 1H and 13C nuclear magnetic resonance chemical shifts of the molecule were also calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. © 2011 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Ravindran P.,PRIST University | Rani T.,PRIST University | Mohan S.,Hawasa University
Journal of Molecular Structure | Year: 2011

The Fourier transform infrared (FTIR) and FT-Raman spectra of 8-chloroquinoline (8CQ) and 8-nitroquinoline (8NQ) have been recorded in the range 4000-400 and 4000-100 cm-1, respectively. The complete vibrational assignment and analysis of the fundamental modes of the compounds were carried out using the observed FTIR and FT-Raman data. Ab initio and DFT calculations have been performed and the structural parameters of the compounds are determined from the optimized geometries with 6-31G**, 6-311++G** and cc-pVTZ basis sets. 1H and 13C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. Uv-visible spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the experimental data of the molecule. The influence of chloro and nitro groups on the skeletal modes and on the proton chemical shifts have been investigated. © 2010 Elsevier B.V. All rights reserved.


Arjunan V.,Kanchi Mamunivar Center for Post Graduate Studies | Raj A.,Kanchi Mamunivar Center for Post Graduate Studies | Subramanian S.,Pondicherry Engineering College | Mohan S.,Hawasa University Main Campus
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2013

The FTIR and FT-Raman spectra of 1,2,4-benzenetricarboxylic-1,2-anhydride (BTCA) have been recorded in the range 4000-400 and 4000-100 cm-1, respectively. The complete vibrational assignments and analysis of BTCA have been performed. More support on the experimental findings was added from the quantum chemical studies performed with DFT (B3LYP, MP2, B3PW91) method using 6-311++G, 6-31G and cc-pVTZ basis sets. The structural parameters, energies, thermodynamic parameters, vibrational frequencies and the NBO charges of BTCA were determined by the DFT method. The 1H and 13C isotropic chemical shifts (δ ppm) of BTCA with respect to TMS were also calculated using the gauge independent atomic orbital (GIAO) method and compared with the experimental data. The delocalization energies of different types of interactions were determined. © 2013 Elsevier B.V. All rights reserved.

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